data_34420 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34420 _Entry.Title ; SH3-subunit of chicken alpha spectrin solved by NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-07-25 _Entry.Accession_date 2019-07-25 _Entry.Last_release_date 2020-07-14 _Entry.Original_release_date 2020-07-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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. Grohe K. . . . 34420 2 C. Hebrank C. . . . 34420 3 R. Linser R. . . . 34420 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PEPTIDE BINDING PROTEIN' . 34420 beta-barrel . 34420 binding-domain . 34420 membrane-ancor . 34420 spectrin . 34420 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34420 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 191 34420 '15N chemical shifts' 66 34420 '1H chemical shifts' 368 34420 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 . . 2023-02-17 2019-07-25 update BMRB 'update entry citation' 34420 1 . . 2020-08-06 2019-07-25 original author 'original release' 34420 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6SCW 'BMRB Entry Tracking System' 34420 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34420 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32579946 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Protein Motional Details Revealed by Complementary Structural Biology Techniques ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 1024 _Citation.Page_last 1034 _Citation.Year 2020 _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 K. Grohe K. . . . 34420 1 2 S. Patel S. . . . 34420 1 3 C. Hebrank C. . . . 34420 1 4 S. Medina S. . . . 34420 1 5 A. Klein A. . . . 34420 1 6 P. Rovo P. . . . 34420 1 7 S. Vasa S. K. . . 34420 1 8 H. Singh H. . . . 34420 1 9 B. Voegeli B. . . . 34420 1 10 L. Shaefer L. . . . 34420 1 11 R. Linser R. . . . 34420 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34420 _Assembly.ID 1 _Assembly.Name 'SH3-subunit of chicken alpha spectrin' _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 unit_1 1 $entity_1 A A yes . . . . . . 34420 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34420 _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 _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDETGKELVLALYDYQEKSP REVTMKKGDILTLLNSTNKD WWKVEVNDRQGFVPAAYVKK LD ; _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 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7229.244 _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 . MET . 34420 1 2 . ASP . 34420 1 3 . GLU . 34420 1 4 . THR . 34420 1 5 . GLY . 34420 1 6 . LYS . 34420 1 7 . GLU . 34420 1 8 . LEU . 34420 1 9 . VAL . 34420 1 10 . LEU . 34420 1 11 . ALA . 34420 1 12 . LEU . 34420 1 13 . TYR . 34420 1 14 . ASP . 34420 1 15 . TYR . 34420 1 16 . GLN . 34420 1 17 . GLU . 34420 1 18 . LYS . 34420 1 19 . SER . 34420 1 20 . PRO . 34420 1 21 . ARG . 34420 1 22 . GLU . 34420 1 23 . VAL . 34420 1 24 . THR . 34420 1 25 . MET . 34420 1 26 . LYS . 34420 1 27 . LYS . 34420 1 28 . GLY . 34420 1 29 . ASP . 34420 1 30 . ILE . 34420 1 31 . LEU . 34420 1 32 . THR . 34420 1 33 . LEU . 34420 1 34 . LEU . 34420 1 35 . ASN . 34420 1 36 . SER . 34420 1 37 . THR . 34420 1 38 . ASN . 34420 1 39 . LYS . 34420 1 40 . ASP . 34420 1 41 . TRP . 34420 1 42 . TRP . 34420 1 43 . LYS . 34420 1 44 . VAL . 34420 1 45 . GLU . 34420 1 46 . VAL . 34420 1 47 . ASN . 34420 1 48 . ASP . 34420 1 49 . ARG . 34420 1 50 . GLN . 34420 1 51 . GLY . 34420 1 52 . PHE . 34420 1 53 . VAL . 34420 1 54 . PRO . 34420 1 55 . ALA . 34420 1 56 . ALA . 34420 1 57 . TYR . 34420 1 58 . VAL . 34420 1 59 . LYS . 34420 1 60 . LYS . 34420 1 61 . LEU . 34420 1 62 . ASP . 34420 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34420 1 . ASP 2 2 34420 1 . GLU 3 3 34420 1 . THR 4 4 34420 1 . GLY 5 5 34420 1 . LYS 6 6 34420 1 . GLU 7 7 34420 1 . LEU 8 8 34420 1 . VAL 9 9 34420 1 . LEU 10 10 34420 1 . ALA 11 11 34420 1 . LEU 12 12 34420 1 . TYR 13 13 34420 1 . ASP 14 14 34420 1 . TYR 15 15 34420 1 . GLN 16 16 34420 1 . GLU 17 17 34420 1 . LYS 18 18 34420 1 . SER 19 19 34420 1 . PRO 20 20 34420 1 . ARG 21 21 34420 1 . GLU 22 22 34420 1 . VAL 23 23 34420 1 . THR 24 24 34420 1 . MET 25 25 34420 1 . LYS 26 26 34420 1 . LYS 27 27 34420 1 . GLY 28 28 34420 1 . ASP 29 29 34420 1 . ILE 30 30 34420 1 . LEU 31 31 34420 1 . THR 32 32 34420 1 . LEU 33 33 34420 1 . LEU 34 34 34420 1 . ASN 35 35 34420 1 . SER 36 36 34420 1 . THR 37 37 34420 1 . ASN 38 38 34420 1 . LYS 39 39 34420 1 . ASP 40 40 34420 1 . TRP 41 41 34420 1 . TRP 42 42 34420 1 . LYS 43 43 34420 1 . VAL 44 44 34420 1 . GLU 45 45 34420 1 . VAL 46 46 34420 1 . ASN 47 47 34420 1 . ASP 48 48 34420 1 . ARG 49 49 34420 1 . GLN 50 50 34420 1 . GLY 51 51 34420 1 . PHE 52 52 34420 1 . VAL 53 53 34420 1 . PRO 54 54 34420 1 . ALA 55 55 34420 1 . ALA 56 56 34420 1 . TYR 57 57 34420 1 . VAL 58 58 34420 1 . LYS 59 59 34420 1 . LYS 60 60 34420 1 . LEU 61 61 34420 1 . ASP 62 62 34420 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 34420 _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 . 9823 organism . 'Sus scrofa' Pig . . Eukaryota Metazoa Sus scrofa . . . . . . . . . . . . . 34420 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 34420 _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' . . 511693 . . . . . . . . . . . . 34420 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34420 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '12 mg/L 15N, 13C SH3-domain of chicken alpha spectrin, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'SH3-domain of chicken alpha spectrin' '[U-15N; U-13C]' . . 1 $entity_1 . . 12 . . mg/L . . . . 34420 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 34420 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details '3M (citric acid)' 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 pH 3.5 . pH 34420 1 pressure 1 . atm 34420 1 temperature 295 . K 34420 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34420 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 3.7 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34420 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34420 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34420 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.98.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34420 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34420 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34420 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34420 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34420 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34420 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance 3' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 34420 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 'Avance 3' . 800 . . . 34420 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 34420 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34420 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34420 1 3 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34420 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34420 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34420 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 34420 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 . . . . . 34420 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34420 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34420 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 34420 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 1H-15N NOESY' . . . 34420 1 2 '3D 1H-13C NOESY' . . . 34420 1 3 '3D HNHA' . . . 34420 1 4 '2D 1H-15N HSQC' . . . 34420 1 5 '2D 1H-13C HSQC' . . . 34420 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 4.06 . . . . . . . A 1 MET HA . 34420 1 2 . 1 . 1 1 1 MET HB2 H 1 2.04 . . . . . . . A 1 MET HB2 . 34420 1 3 . 1 . 1 1 1 MET HG2 H 1 2.35 . . . . . . . A 1 MET HG2 . 34420 1 4 . 1 . 1 1 1 MET HG3 H 1 2.47 . . . . . . . A 1 MET HG3 . 34420 1 5 . 1 . 1 1 1 MET CA C 13 54 . . . . . . . A 1 MET CA . 34420 1 6 . 1 . 1 1 1 MET CB C 13 31.64 . . . . . . . A 1 MET CB . 34420 1 7 . 1 . 1 1 1 MET CG C 13 29.82 . . . . . . . A 1 MET CG . 34420 1 8 . 1 . 1 2 2 ASP H H 1 8.8 . . . . . . . A 2 ASP H . 34420 1 9 . 1 . 1 2 2 ASP HA H 1 4.69 . . . . . . . A 2 ASP HA . 34420 1 10 . 1 . 1 2 2 ASP HB2 H 1 2.69 . . . . . . . A 2 ASP HB2 . 34420 1 11 . 1 . 1 2 2 ASP HB3 H 1 2.74 . . . . . . . A 2 ASP HB3 . 34420 1 12 . 1 . 1 2 2 ASP CA C 13 53.05 . . . . . . . A 2 ASP CA . 34420 1 13 . 1 . 1 2 2 ASP CB C 13 38.93 . . . . . . . A 2 ASP CB . 34420 1 14 . 1 . 1 2 2 ASP N N 15 123.2 . . . . . . . A 2 ASP N . 34420 1 15 . 1 . 1 3 3 GLU H H 1 8.58 . . . . . . . A 3 GLU H . 34420 1 16 . 1 . 1 3 3 GLU HA H 1 4.36 . . . . . . . A 3 GLU HA . 34420 1 17 . 1 . 1 3 3 GLU HB2 H 1 1.88 . . . . . . . A 3 GLU HB2 . 34420 1 18 . 1 . 1 3 3 GLU HB3 H 1 2.09 . . . . . . . A 3 GLU HB3 . 34420 1 19 . 1 . 1 3 3 GLU HG2 H 1 2.36 . . . . . . . A 3 GLU HG2 . 34420 1 20 . 1 . 1 3 3 GLU HG3 H 1 2.37 . . . . . . . A 3 GLU HG3 . 34420 1 21 . 1 . 1 3 3 GLU CA C 13 55.02 . . . . . . . A 3 GLU CA . 34420 1 22 . 1 . 1 3 3 GLU CB C 13 27.86 . . . . . . . A 3 GLU CB . 34420 1 23 . 1 . 1 3 3 GLU CG C 13 32.37 . . . . . . . A 3 GLU CG . 34420 1 24 . 1 . 1 3 3 GLU N N 15 122 . . . . . . . A 3 GLU N . 34420 1 25 . 1 . 1 4 4 THR H H 1 8.13 . . . . . . . A 4 THR H . 34420 1 26 . 1 . 1 4 4 THR HA H 1 4.2 . . . . . . . A 4 THR HA . 34420 1 27 . 1 . 1 4 4 THR HB H 1 4.18 . . . . . . . A 4 THR HB . 34420 1 28 . 1 . 1 4 4 THR HG21 H 1 1.14 . . . . . . . A 4 THR HG1 . 34420 1 29 . 1 . 1 4 4 THR HG22 H 1 1.14 . . . . . . . A 4 THR HG1 . 34420 1 30 . 1 . 1 4 4 THR HG23 H 1 1.14 . . . . . . . A 4 THR HG1 . 34420 1 31 . 1 . 1 4 4 THR CA C 13 61.52 . . . . . . . A 4 THR CA . 34420 1 32 . 1 . 1 4 4 THR CB C 13 68.65 . . . . . . . A 4 THR CB . 34420 1 33 . 1 . 1 4 4 THR CG2 C 13 20.71 . . . . . . . A 4 THR CG2 . 34420 1 34 . 1 . 1 4 4 THR N N 15 114.3 . . . . . . . A 4 THR N . 34420 1 35 . 1 . 1 5 5 GLY H H 1 8.36 . . . . . . . A 5 GLY H . 34420 1 36 . 1 . 1 5 5 GLY HA2 H 1 3.89 . . . . . . . A 5 GLY HA2 . 34420 1 37 . 1 . 1 5 5 GLY HA3 H 1 3.892 . . . . . . . A 5 GLY HA2 . 34420 1 38 . 1 . 1 5 5 GLY CA C 13 44.25 . . . . . . . A 5 GLY CA . 34420 1 39 . 1 . 1 5 5 GLY N N 15 111.5 . . . . . . . A 5 GLY N . 34420 1 40 . 1 . 1 6 6 LYS H H 1 7.94 . . . . . . . A 6 LYS H . 34420 1 41 . 1 . 1 6 6 LYS HA H 1 4.3 . . . . . . . A 6 LYS HA . 34420 1 42 . 1 . 1 6 6 LYS HB2 H 1 1.67 . . . . . . . A 6 LYS HB2 . 34420 1 43 . 1 . 1 6 6 LYS HB3 H 1 1.73 . . . . . . . A 6 LYS HB3 . 34420 1 44 . 1 . 1 6 6 LYS HG2 H 1 1.29 . . . . . . . A 6 LYS HG2 . 34420 1 45 . 1 . 1 6 6 LYS HG3 H 1 1.3 . . . . . . . A 6 LYS HG3 . 34420 1 46 . 1 . 1 6 6 LYS HD2 H 1 1.56 . . . . . . . A 6 LYS HD2 . 34420 1 47 . 1 . 1 6 6 LYS HD3 H 1 1.6 . . . . . . . A 6 LYS HD3 . 34420 1 48 . 1 . 1 6 6 LYS HE2 H 1 2.91 . . . . . . . A 6 LYS HE2 . 34420 1 49 . 1 . 1 6 6 LYS HE3 H 1 2.909 . . . . . . . A 6 LYS HE3 . 34420 1 50 . 1 . 1 6 6 LYS CA C 13 54.94 . . . . . . . A 6 LYS CA . 34420 1 51 . 1 . 1 6 6 LYS CB C 13 32.73 . . . . . . . A 6 LYS CB . 34420 1 52 . 1 . 1 6 6 LYS CG C 13 23.68 . . . . . . . A 6 LYS CG . 34420 1 53 . 1 . 1 6 6 LYS CD C 13 27.84 . . . . . . . A 6 LYS CD . 34420 1 54 . 1 . 1 6 6 LYS N N 15 120 . . . . . . . A 6 LYS N . 34420 1 55 . 1 . 1 7 7 GLU H H 1 8.6 . . . . . . . A 7 GLU H . 34420 1 56 . 1 . 1 7 7 GLU HA H 1 4.44 . . . . . . . A 7 GLU HA . 34420 1 57 . 1 . 1 7 7 GLU HB2 H 1 1.94 . . . . . . . A 7 GLU HB2 . 34420 1 58 . 1 . 1 7 7 GLU HB3 H 1 1.959 . . . . . . . A 7 GLU HB3 . 34420 1 59 . 1 . 1 7 7 GLU HG2 H 1 2.29 . . . . . . . A 7 GLU HG2 . 34420 1 60 . 1 . 1 7 7 GLU HG3 H 1 2.39 . . . . . . . A 7 GLU HG3 . 34420 1 61 . 1 . 1 7 7 GLU CA C 13 54.47 . . . . . . . A 7 GLU CA . 34420 1 62 . 1 . 1 7 7 GLU CB C 13 29.12 . . . . . . . A 7 GLU CB . 34420 1 63 . 1 . 1 7 7 GLU CG C 13 32.69 . . . . . . . A 7 GLU CG . 34420 1 64 . 1 . 1 7 7 GLU N N 15 122.9 . . . . . . . A 7 GLU N . 34420 1 65 . 1 . 1 8 8 LEU H H 1 8.29 . . . . . . . A 8 LEU H . 34420 1 66 . 1 . 1 8 8 LEU HA H 1 5.33 . . . . . . . A 8 LEU HA . 34420 1 67 . 1 . 1 8 8 LEU HB2 H 1 1.27 . . . . . . . A 8 LEU HB2 . 34420 1 68 . 1 . 1 8 8 LEU HB3 H 1 1.59 . . . . . . . A 8 LEU HB3 . 34420 1 69 . 1 . 1 8 8 LEU HG H 1 1.26 . . . . . . . A 8 LEU HG . 34420 1 70 . 1 . 1 8 8 LEU HD11 H 1 0.72 . . . . . . . A 8 LEU HD11 . 34420 1 71 . 1 . 1 8 8 LEU HD12 H 1 0.72 . . . . . . . A 8 LEU HD12 . 34420 1 72 . 1 . 1 8 8 LEU HD13 H 1 0.72 . . . . . . . A 8 LEU HD13 . 34420 1 73 . 1 . 1 8 8 LEU CA C 13 52.33 . . . . . . . A 8 LEU CA . 34420 1 74 . 1 . 1 8 8 LEU CB C 13 44.05 . . . . . . . A 8 LEU CB . 34420 1 75 . 1 . 1 8 8 LEU CG C 13 24.31 . . . . . . . A 8 LEU CG . 34420 1 76 . 1 . 1 8 8 LEU CD1 C 13 22.17 . . . . . . . A 8 LEU CD1 . 34420 1 77 . 1 . 1 8 8 LEU N N 15 123 . . . . . . . A 8 LEU N . 34420 1 78 . 1 . 1 9 9 VAL H H 1 9.1 . . . . . . . A 9 VAL H . 34420 1 79 . 1 . 1 9 9 VAL HA H 1 5.14 . . . . . . . A 9 VAL HA . 34420 1 80 . 1 . 1 9 9 VAL HB H 1 1.93 . . . . . . . A 9 VAL HB . 34420 1 81 . 1 . 1 9 9 VAL HG11 H 1 0.96 . . . . . . . A 9 VAL HG11 . 34420 1 82 . 1 . 1 9 9 VAL HG12 H 1 0.96 . . . . . . . A 9 VAL HG12 . 34420 1 83 . 1 . 1 9 9 VAL HG13 H 1 0.96 . . . . . . . A 9 VAL HG13 . 34420 1 84 . 1 . 1 9 9 VAL CA C 13 56.92 . . . . . . . A 9 VAL CA . 34420 1 85 . 1 . 1 9 9 VAL CB C 13 35.05 . . . . . . . A 9 VAL CB . 34420 1 86 . 1 . 1 9 9 VAL CG1 C 13 19.43 . . . . . . . A 9 VAL CG1 . 34420 1 87 . 1 . 1 9 9 VAL CG2 C 13 22.99 . . . . . . . A 9 VAL CG2 . 34420 1 88 . 1 . 1 9 9 VAL N N 15 111.9 . . . . . . . A 9 VAL N . 34420 1 89 . 1 . 1 10 10 LEU H H 1 8.93 . . . . . . . A 10 LEU H . 34420 1 90 . 1 . 1 10 10 LEU HA H 1 5.05 . . . . . . . A 10 LEU HA . 34420 1 91 . 1 . 1 10 10 LEU HB2 H 1 1.3 . . . . . . . A 10 LEU HB2 . 34420 1 92 . 1 . 1 10 10 LEU HB3 H 1 1.64 . . . . . . . A 10 LEU HB3 . 34420 1 93 . 1 . 1 10 10 LEU HD11 H 1 0.78 . . . . . . . A 10 LEU HD11 . 34420 1 94 . 1 . 1 10 10 LEU HD12 H 1 0.78 . . . . . . . A 10 LEU HD12 . 34420 1 95 . 1 . 1 10 10 LEU HD13 H 1 0.78 . . . . . . . A 10 LEU HD13 . 34420 1 96 . 1 . 1 10 10 LEU CA C 13 51.43 . . . . . . . A 10 LEU CA . 34420 1 97 . 1 . 1 10 10 LEU CB C 13 45.7 . . . . . . . A 10 LEU CB . 34420 1 98 . 1 . 1 10 10 LEU CG C 13 25.57 . . . . . . . A 10 LEU CG . 34420 1 99 . 1 . 1 10 10 LEU CD1 C 13 23.01 . . . . . . . A 10 LEU CD1 . 34420 1 100 . 1 . 1 10 10 LEU CD2 C 13 23.96 . . . . . . . A 10 LEU CD2 . 34420 1 101 . 1 . 1 10 10 LEU N N 15 123.3 . . . . . . . A 10 LEU N . 34420 1 102 . 1 . 1 11 11 ALA H H 1 9.02 . . . . . . . A 11 ALA H . 34420 1 103 . 1 . 1 11 11 ALA HA H 1 4.53 . . . . . . . A 11 ALA HA . 34420 1 104 . 1 . 1 11 11 ALA HB1 H 1 1.58 . . . . . . . A 11 ALA HB1 . 34420 1 105 . 1 . 1 11 11 ALA HB2 H 1 1.58 . . . . . . . A 11 ALA HB2 . 34420 1 106 . 1 . 1 11 11 ALA HB3 H 1 1.58 . . . . . . . A 11 ALA HB3 . 34420 1 107 . 1 . 1 11 11 ALA CA C 13 51.48 . . . . . . . A 11 ALA CA . 34420 1 108 . 1 . 1 11 11 ALA CB C 13 18.46 . . . . . . . A 11 ALA CB . 34420 1 109 . 1 . 1 11 11 ALA N N 15 126.9 . . . . . . . A 11 ALA N . 34420 1 110 . 1 . 1 12 12 LEU H H 1 9.17 . . . . . . . A 12 LEU H . 34420 1 111 . 1 . 1 12 12 LEU HA H 1 3.82 . . . . . . . A 12 LEU HA . 34420 1 112 . 1 . 1 12 12 LEU HB2 H 1 0.66 . . . . . . . A 12 LEU HB2 . 34420 1 113 . 1 . 1 12 12 LEU HB3 H 1 1.11 . . . . . . . A 12 LEU HB3 . 34420 1 114 . 1 . 1 12 12 LEU HD11 H 1 0.65 . . . . . . . A 12 LEU HD11 . 34420 1 115 . 1 . 1 12 12 LEU HD12 H 1 0.65 . . . . . . . A 12 LEU HD12 . 34420 1 116 . 1 . 1 12 12 LEU HD13 H 1 0.65 . . . . . . . A 12 LEU HD13 . 34420 1 117 . 1 . 1 12 12 LEU CA C 13 54.6 . . . . . . . A 12 LEU CA . 34420 1 118 . 1 . 1 12 12 LEU CB C 13 41.78 . . . . . . . A 12 LEU CB . 34420 1 119 . 1 . 1 12 12 LEU CG C 13 23.97 . . . . . . . A 12 LEU CG . 34420 1 120 . 1 . 1 12 12 LEU CD1 C 13 20.32 . . . . . . . A 12 LEU CD1 . 34420 1 121 . 1 . 1 12 12 LEU N N 15 127.6 . . . . . . . A 12 LEU N . 34420 1 122 . 1 . 1 13 13 TYR H H 1 7.02 . . . . . . . A 13 TYR H . 34420 1 123 . 1 . 1 13 13 TYR HA H 1 4.55 . . . . . . . A 13 TYR HA . 34420 1 124 . 1 . 1 13 13 TYR HB2 H 1 2 . . . . . . . A 13 TYR HB2 . 34420 1 125 . 1 . 1 13 13 TYR HB3 H 1 2.99 . . . . . . . A 13 TYR HB3 . 34420 1 126 . 1 . 1 13 13 TYR CA C 13 53.49 . . . . . . . A 13 TYR CA . 34420 1 127 . 1 . 1 13 13 TYR CB C 13 41.89 . . . . . . . A 13 TYR CB . 34420 1 128 . 1 . 1 13 13 TYR CD2 C 13 133.263 . . . . . . . A 13 TYR CD2 . 34420 1 129 . 1 . 1 13 13 TYR CE1 C 13 117.18 . . . . . . . A 13 TYR CE1 . 34420 1 130 . 1 . 1 13 13 TYR N N 15 111.6 . . . . . . . A 13 TYR N . 34420 1 131 . 1 . 1 14 14 ASP H H 1 8.33 . . . . . . . A 14 ASP H . 34420 1 132 . 1 . 1 14 14 ASP HA H 1 4.55 . . . . . . . A 14 ASP HA . 34420 1 133 . 1 . 1 14 14 ASP HB2 H 1 2.61 . . . . . . . A 14 ASP HB2 . 34420 1 134 . 1 . 1 14 14 ASP HB3 H 1 2.81 . . . . . . . A 14 ASP HB3 . 34420 1 135 . 1 . 1 14 14 ASP CA C 13 53.18 . . . . . . . A 14 ASP CA . 34420 1 136 . 1 . 1 14 14 ASP CB C 13 39.81 . . . . . . . A 14 ASP CB . 34420 1 137 . 1 . 1 14 14 ASP N N 15 117.7 . . . . . . . A 14 ASP N . 34420 1 138 . 1 . 1 15 15 TYR H H 1 8.61 . . . . . . . A 15 TYR H . 34420 1 139 . 1 . 1 15 15 TYR HA H 1 4.61 . . . . . . . A 15 TYR HA . 34420 1 140 . 1 . 1 15 15 TYR HB2 H 1 2.79 . . . . . . . A 15 TYR HB2 . 34420 1 141 . 1 . 1 15 15 TYR HB3 H 1 2.97 . . . . . . . A 15 TYR HB3 . 34420 1 142 . 1 . 1 15 15 TYR CA C 13 58.55 . . . . . . . A 15 TYR CA . 34420 1 143 . 1 . 1 15 15 TYR CB C 13 42.63 . . . . . . . A 15 TYR CB . 34420 1 144 . 1 . 1 15 15 TYR CE1 C 13 118.18 . . . . . . . A 15 TYR CE1 . 34420 1 145 . 1 . 1 15 15 TYR N N 15 120.3 . . . . . . . A 15 TYR N . 34420 1 146 . 1 . 1 16 16 GLN H H 1 7.53 . . . . . . . A 16 GLN H . 34420 1 147 . 1 . 1 16 16 GLN HA H 1 4.47 . . . . . . . A 16 GLN HA . 34420 1 148 . 1 . 1 16 16 GLN HB2 H 1 1.71 . . . . . . . A 16 GLN HB2 . 34420 1 149 . 1 . 1 16 16 GLN HB3 H 1 1.73 . . . . . . . A 16 GLN HB3 . 34420 1 150 . 1 . 1 16 16 GLN HG2 H 1 2.19 . . . . . . . A 16 GLN HG2 . 34420 1 151 . 1 . 1 16 16 GLN HG3 H 1 2.23 . . . . . . . A 16 GLN HG3 . 34420 1 152 . 1 . 1 16 16 GLN HE21 H 1 6.778 . . . . . . . A 16 GLN HE21 . 34420 1 153 . 1 . 1 16 16 GLN HE22 H 1 7.44 . . . . . . . A 16 GLN HE22 . 34420 1 154 . 1 . 1 16 16 GLN CA C 13 52.67 . . . . . . . A 16 GLN CA . 34420 1 155 . 1 . 1 16 16 GLN CB C 13 28.56 . . . . . . . A 16 GLN CB . 34420 1 156 . 1 . 1 16 16 GLN CG C 13 32.71 . . . . . . . A 16 GLN CG . 34420 1 157 . 1 . 1 16 16 GLN N N 15 127.3 . . . . . . . A 16 GLN N . 34420 1 158 . 1 . 1 16 16 GLN NE2 N 15 112.36 . . . . . . . A 16 GLN NE2 . 34420 1 159 . 1 . 1 17 17 GLU H H 1 7.99 . . . . . . . A 17 GLU H . 34420 1 160 . 1 . 1 17 17 GLU HA H 1 4.07 . . . . . . . A 17 GLU HA . 34420 1 161 . 1 . 1 17 17 GLU HB2 H 1 2.17 . . . . . . . A 17 GLU HB2 . 34420 1 162 . 1 . 1 17 17 GLU HG2 H 1 2.21 . . . . . . . A 17 GLU HG2 . 34420 1 163 . 1 . 1 17 17 GLU CA C 13 55.08 . . . . . . . A 17 GLU CA . 34420 1 164 . 1 . 1 17 17 GLU CB C 13 27.46 . . . . . . . A 17 GLU CB . 34420 1 165 . 1 . 1 17 17 GLU CG C 13 31.34 . . . . . . . A 17 GLU CG . 34420 1 166 . 1 . 1 17 17 GLU N N 15 123.2 . . . . . . . A 17 GLU N . 34420 1 167 . 1 . 1 18 18 LYS H H 1 8.6 . . . . . . . A 18 LYS H . 34420 1 168 . 1 . 1 18 18 LYS HA H 1 4.34 . . . . . . . A 18 LYS HA . 34420 1 169 . 1 . 1 18 18 LYS HB2 H 1 1.91 . . . . . . . A 18 LYS HB2 . 34420 1 170 . 1 . 1 18 18 LYS HB3 H 1 1.95 . . . . . . . A 18 LYS HB3 . 34420 1 171 . 1 . 1 18 18 LYS HG2 H 1 1.54 . . . . . . . A 18 LYS HG2 . 34420 1 172 . 1 . 1 18 18 LYS HG3 H 1 1.55 . . . . . . . A 18 LYS HG3 . 34420 1 173 . 1 . 1 18 18 LYS HD2 H 1 1.69 . . . . . . . A 18 LYS HD2 . 34420 1 174 . 1 . 1 18 18 LYS HD3 H 1 1.72 . . . . . . . A 18 LYS HD3 . 34420 1 175 . 1 . 1 18 18 LYS CA C 13 54.09 . . . . . . . A 18 LYS CA . 34420 1 176 . 1 . 1 18 18 LYS CB C 13 32.41 . . . . . . . A 18 LYS CB . 34420 1 177 . 1 . 1 18 18 LYS CG C 13 23.16 . . . . . . . A 18 LYS CG . 34420 1 178 . 1 . 1 18 18 LYS CD C 13 27.34 . . . . . . . A 18 LYS CD . 34420 1 179 . 1 . 1 18 18 LYS N N 15 120.7 . . . . . . . A 18 LYS N . 34420 1 180 . 1 . 1 19 19 SER H H 1 7.64 . . . . . . . A 19 SER H . 34420 1 181 . 1 . 1 19 19 SER HA H 1 4.8 . . . . . . . A 19 SER HA . 34420 1 182 . 1 . 1 19 19 SER HB2 H 1 3.62 . . . . . . . A 19 SER HB2 . 34420 1 183 . 1 . 1 19 19 SER HB3 H 1 4.04 . . . . . . . A 19 SER HB3 . 34420 1 184 . 1 . 1 19 19 SER CA C 13 56.52 . . . . . . . A 19 SER CA . 34420 1 185 . 1 . 1 19 19 SER CB C 13 64.29 . . . . . . . A 19 SER CB . 34420 1 186 . 1 . 1 19 19 SER N N 15 115.7 . . . . . . . A 19 SER N . 34420 1 187 . 1 . 1 20 20 PRO HA H 1 4.5 . . . . . . . A 20 PRO HA . 34420 1 188 . 1 . 1 20 20 PRO HB2 H 1 1.86 . . . . . . . A 20 PRO HB2 . 34420 1 189 . 1 . 1 20 20 PRO HB3 H 1 2.38 . . . . . . . A 20 PRO HB3 . 34420 1 190 . 1 . 1 20 20 PRO HG2 H 1 1.91 . . . . . . . A 20 PRO HG2 . 34420 1 191 . 1 . 1 20 20 PRO HG3 H 1 2.07 . . . . . . . A 20 PRO HG3 . 34420 1 192 . 1 . 1 20 20 PRO HD2 H 1 3.72 . . . . . . . A 20 PRO HD2 . 34420 1 193 . 1 . 1 20 20 PRO CA C 13 63.85 . . . . . . . A 20 PRO CA . 34420 1 194 . 1 . 1 20 20 PRO CB C 13 31.09 . . . . . . . A 20 PRO CB . 34420 1 195 . 1 . 1 20 20 PRO CG C 13 26.41 . . . . . . . A 20 PRO CG . 34420 1 196 . 1 . 1 20 20 PRO CD C 13 50.91 . . . . . . . A 20 PRO CD . 34420 1 197 . 1 . 1 21 21 ARG H H 1 7.66 . . . . . . . A 21 ARG H . 34420 1 198 . 1 . 1 21 21 ARG HA H 1 4.51 . . . . . . . A 21 ARG HA . 34420 1 199 . 1 . 1 21 21 ARG HB2 H 1 1.58 . . . . . . . A 21 ARG HB2 . 34420 1 200 . 1 . 1 21 21 ARG HB3 H 1 1.86 . . . . . . . A 21 ARG HB3 . 34420 1 201 . 1 . 1 21 21 ARG HG2 H 1 1.31 . . . . . . . A 21 ARG HG2 . 34420 1 202 . 1 . 1 21 21 ARG HG3 H 1 1.33 . . . . . . . A 21 ARG HG3 . 34420 1 203 . 1 . 1 21 21 ARG HD2 H 1 2.92 . . . . . . . A 21 ARG HD2 . 34420 1 204 . 1 . 1 21 21 ARG HD3 H 1 2.93 . . . . . . . A 21 ARG HD3 . 34420 1 205 . 1 . 1 21 21 ARG HH11 H 1 7.09 . . . . . . . A 21 ARG HH11 . 34420 1 206 . 1 . 1 21 21 ARG CA C 13 55.13 . . . . . . . A 21 ARG CA . 34420 1 207 . 1 . 1 21 21 ARG CB C 13 29.73 . . . . . . . A 21 ARG CB . 34420 1 208 . 1 . 1 21 21 ARG CG C 13 26.46 . . . . . . . A 21 ARG CG . 34420 1 209 . 1 . 1 21 21 ARG CD C 13 42.33 . . . . . . . A 21 ARG CD . 34420 1 210 . 1 . 1 21 21 ARG N N 15 113.7 . . . . . . . A 21 ARG N . 34420 1 211 . 1 . 1 22 22 GLU H H 1 7.77 . . . . . . . A 22 GLU H . 34420 1 212 . 1 . 1 22 22 GLU HA H 1 5.42 . . . . . . . A 22 GLU HA . 34420 1 213 . 1 . 1 22 22 GLU HB2 H 1 2.08 . . . . . . . A 22 GLU HB2 . 34420 1 214 . 1 . 1 22 22 GLU HB3 H 1 2.17 . . . . . . . A 22 GLU HB3 . 34420 1 215 . 1 . 1 22 22 GLU HG2 H 1 2.63 . . . . . . . A 22 GLU HG2 . 34420 1 216 . 1 . 1 22 22 GLU HG3 H 1 2.64 . . . . . . . A 22 GLU HG3 . 34420 1 217 . 1 . 1 22 22 GLU CA C 13 54.09 . . . . . . . A 22 GLU CA . 34420 1 218 . 1 . 1 22 22 GLU CB C 13 32.13 . . . . . . . A 22 GLU CB . 34420 1 219 . 1 . 1 22 22 GLU CG C 13 34.7 . . . . . . . A 22 GLU CG . 34420 1 220 . 1 . 1 22 22 GLU N N 15 121 . . . . . . . A 22 GLU N . 34420 1 221 . 1 . 1 23 23 VAL H H 1 7.38 . . . . . . . A 23 VAL H . 34420 1 222 . 1 . 1 23 23 VAL HA H 1 4.5 . . . . . . . A 23 VAL HA . 34420 1 223 . 1 . 1 23 23 VAL HB H 1 1.68 . . . . . . . A 23 VAL HB . 34420 1 224 . 1 . 1 23 23 VAL HG21 H 1 0.59 . . . . . . . A 23 VAL HG21 . 34420 1 225 . 1 . 1 23 23 VAL HG22 H 1 0.59 . . . . . . . A 23 VAL HG22 . 34420 1 226 . 1 . 1 23 23 VAL HG23 H 1 0.59 . . . . . . . A 23 VAL HG23 . 34420 1 227 . 1 . 1 23 23 VAL CA C 13 58.84 . . . . . . . A 23 VAL CA . 34420 1 228 . 1 . 1 23 23 VAL CB C 13 33.99 . . . . . . . A 23 VAL CB . 34420 1 229 . 1 . 1 23 23 VAL CG2 C 13 20.04 . . . . . . . A 23 VAL CG2 . 34420 1 230 . 1 . 1 23 23 VAL N N 15 114.4 . . . . . . . A 23 VAL N . 34420 1 231 . 1 . 1 24 24 THR H H 1 7.46 . . . . . . . A 24 THR H . 34420 1 232 . 1 . 1 24 24 THR HA H 1 4.98 . . . . . . . A 24 THR HA . 34420 1 233 . 1 . 1 24 24 THR HB H 1 3.94 . . . . . . . A 24 THR HB . 34420 1 234 . 1 . 1 24 24 THR HG21 H 1 1.27 . . . . . . . A 24 THR HG21 . 34420 1 235 . 1 . 1 24 24 THR HG22 H 1 1.27 . . . . . . . A 24 THR HG22 . 34420 1 236 . 1 . 1 24 24 THR HG23 H 1 1.27 . . . . . . . A 24 THR HG23 . 34420 1 237 . 1 . 1 24 24 THR CA C 13 60.24 . . . . . . . A 24 THR CA . 34420 1 238 . 1 . 1 24 24 THR CB C 13 69.32 . . . . . . . A 24 THR CB . 34420 1 239 . 1 . 1 24 24 THR CG2 C 13 21.5 . . . . . . . A 24 THR CG2 . 34420 1 240 . 1 . 1 24 24 THR N N 15 119.3 . . . . . . . A 24 THR N . 34420 1 241 . 1 . 1 25 25 MET H H 1 9.46 . . . . . . . A 25 MET H . 34420 1 242 . 1 . 1 25 25 MET HA H 1 4.84 . . . . . . . A 25 MET HA . 34420 1 243 . 1 . 1 25 25 MET HB2 H 1 2.51 . . . . . . . A 25 MET HB2 . 34420 1 244 . 1 . 1 25 25 MET HB3 H 1 2.648 . . . . . . . A 25 MET HB3 . 34420 1 245 . 1 . 1 25 25 MET HG2 H 1 1.82 . . . . . . . A 25 MET HG2 . 34420 1 246 . 1 . 1 25 25 MET HG3 H 1 2.11 . . . . . . . A 25 MET HG3 . 34420 1 247 . 1 . 1 25 25 MET HE1 H 1 2.1 . . . . . . . A 25 MET HE1 . 34420 1 248 . 1 . 1 25 25 MET HE2 H 1 2.1 . . . . . . . A 25 MET HE2 . 34420 1 249 . 1 . 1 25 25 MET HE3 H 1 2.1 . . . . . . . A 25 MET HE3 . 34420 1 250 . 1 . 1 25 25 MET CA C 13 53.1 . . . . . . . A 25 MET CA . 34420 1 251 . 1 . 1 25 25 MET CB C 13 35.25 . . . . . . . A 25 MET CB . 34420 1 252 . 1 . 1 25 25 MET CG C 13 30.28 . . . . . . . A 25 MET CG . 34420 1 253 . 1 . 1 25 25 MET CE C 13 16.832 . . . . . . . A 25 MET CE . 34420 1 254 . 1 . 1 25 25 MET N N 15 121.8 . . . . . . . A 25 MET N . 34420 1 255 . 1 . 1 26 26 LYS H H 1 8.5 . . . . . . . A 26 LYS H . 34420 1 256 . 1 . 1 26 26 LYS HA H 1 4.81 . . . . . . . A 26 LYS HA . 34420 1 257 . 1 . 1 26 26 LYS HB2 H 1 1.61 . . . . . . . A 26 LYS HB2 . 34420 1 258 . 1 . 1 26 26 LYS HB3 H 1 1.61 . . . . . . . A 26 LYS HB3 . 34420 1 259 . 1 . 1 26 26 LYS HG2 H 1 1.35 . . . . . . . A 26 LYS HG2 . 34420 1 260 . 1 . 1 26 26 LYS HG3 H 1 1.38 . . . . . . . A 26 LYS HG3 . 34420 1 261 . 1 . 1 26 26 LYS HD2 H 1 1.63 . . . . . . . A 26 LYS HD2 . 34420 1 262 . 1 . 1 26 26 LYS CA C 13 52.69 . . . . . . . A 26 LYS CA . 34420 1 263 . 1 . 1 26 26 LYS CB C 13 33.61 . . . . . . . A 26 LYS CB . 34420 1 264 . 1 . 1 26 26 LYS CG C 13 23.57 . . . . . . . A 26 LYS CG . 34420 1 265 . 1 . 1 26 26 LYS CD C 13 27.77 . . . . . . . A 26 LYS CD . 34420 1 266 . 1 . 1 26 26 LYS N N 15 123.8 . . . . . . . A 26 LYS N . 34420 1 267 . 1 . 1 27 27 LYS H H 1 8.88 . . . . . . . A 27 LYS H . 34420 1 268 . 1 . 1 27 27 LYS HA H 1 3.2 . . . . . . . A 27 LYS HA . 34420 1 269 . 1 . 1 27 27 LYS HB2 H 1 1.43 . . . . . . . A 27 LYS HB2 . 34420 1 270 . 1 . 1 27 27 LYS HB3 H 1 1.53 . . . . . . . A 27 LYS HB3 . 34420 1 271 . 1 . 1 27 27 LYS HG2 H 1 1.03 . . . . . . . A 27 LYS HG2 . 34420 1 272 . 1 . 1 27 27 LYS CA C 13 57.46 . . . . . . . A 27 LYS CA . 34420 1 273 . 1 . 1 27 27 LYS CB C 13 31.3 . . . . . . . A 27 LYS CB . 34420 1 274 . 1 . 1 27 27 LYS CG C 13 23.37 . . . . . . . A 27 LYS CG . 34420 1 275 . 1 . 1 27 27 LYS CD C 13 28.62 . . . . . . . A 27 LYS CD . 34420 1 276 . 1 . 1 27 27 LYS N N 15 122.7 . . . . . . . A 27 LYS N . 34420 1 277 . 1 . 1 28 28 GLY H H 1 8.79 . . . . . . . A 28 GLY H . 34420 1 278 . 1 . 1 28 28 GLY HA2 H 1 4.394 . . . . . . . A 28 GLY HA2 . 34420 1 279 . 1 . 1 28 28 GLY HA3 H 1 4.39 . . . . . . . A 28 GLY HA2 . 34420 1 280 . 1 . 1 28 28 GLY CA C 13 43.67 . . . . . . . A 28 GLY CA . 34420 1 281 . 1 . 1 28 28 GLY N N 15 115.6 . . . . . . . A 28 GLY N . 34420 1 282 . 1 . 1 29 29 ASP H H 1 8.42 . . . . . . . A 29 ASP H . 34420 1 283 . 1 . 1 29 29 ASP HA H 1 4.47 . . . . . . . A 29 ASP HA . 34420 1 284 . 1 . 1 29 29 ASP HB2 H 1 2.52 . . . . . . . A 29 ASP HB2 . 34420 1 285 . 1 . 1 29 29 ASP HB3 H 1 2.81 . . . . . . . A 29 ASP HB3 . 34420 1 286 . 1 . 1 29 29 ASP CA C 13 53.89 . . . . . . . A 29 ASP CA . 34420 1 287 . 1 . 1 29 29 ASP CB C 13 39.69 . . . . . . . A 29 ASP CB . 34420 1 288 . 1 . 1 29 29 ASP N N 15 121.3 . . . . . . . A 29 ASP N . 34420 1 289 . 1 . 1 30 30 ILE H H 1 8.09 . . . . . . . A 30 ILE H . 34420 1 290 . 1 . 1 30 30 ILE HA H 1 4.92 . . . . . . . A 30 ILE HA . 34420 1 291 . 1 . 1 30 30 ILE HB H 1 1.73 . . . . . . . A 30 ILE HB . 34420 1 292 . 1 . 1 30 30 ILE HG21 H 1 0.81 . . . . . . . A 30 ILE HG21 . 34420 1 293 . 1 . 1 30 30 ILE HG22 H 1 0.81 . . . . . . . A 30 ILE HG22 . 34420 1 294 . 1 . 1 30 30 ILE HG23 H 1 0.81 . . . . . . . A 30 ILE HG23 . 34420 1 295 . 1 . 1 30 30 ILE CA C 13 59.06 . . . . . . . A 30 ILE CA . 34420 1 296 . 1 . 1 30 30 ILE CB C 13 37.36 . . . . . . . A 30 ILE CB . 34420 1 297 . 1 . 1 30 30 ILE CG1 C 13 27.14 . . . . . . . A 30 ILE CG1 . 34420 1 298 . 1 . 1 30 30 ILE CG2 C 13 18.03 . . . . . . . A 30 ILE CG2 . 34420 1 299 . 1 . 1 30 30 ILE CD1 C 13 17.58 . . . . . . . A 30 ILE CD1 . 34420 1 300 . 1 . 1 30 30 ILE N N 15 120.7 . . . . . . . A 30 ILE N . 34420 1 301 . 1 . 1 31 31 LEU H H 1 9.25 . . . . . . . A 31 LEU H . 34420 1 302 . 1 . 1 31 31 LEU HA H 1 4.92 . . . . . . . A 31 LEU HA . 34420 1 303 . 1 . 1 31 31 LEU HB2 H 1 1.37 . . . . . . . A 31 LEU HB2 . 34420 1 304 . 1 . 1 31 31 LEU HB3 H 1 1.53 . . . . . . . A 31 LEU HB3 . 34420 1 305 . 1 . 1 31 31 LEU HG H 1 1.17 . . . . . . . A 31 LEU HG . 34420 1 306 . 1 . 1 31 31 LEU CA C 13 52.63 . . . . . . . A 31 LEU CA . 34420 1 307 . 1 . 1 31 31 LEU CB C 13 42.69 . . . . . . . A 31 LEU CB . 34420 1 308 . 1 . 1 31 31 LEU CG C 13 26.14 . . . . . . . A 31 LEU CG . 34420 1 309 . 1 . 1 31 31 LEU N N 15 127.2 . . . . . . . A 31 LEU N . 34420 1 310 . 1 . 1 32 32 THR H H 1 8.39 . . . . . . . A 32 THR H . 34420 1 311 . 1 . 1 32 32 THR HA H 1 4.53 . . . . . . . A 32 THR HA . 34420 1 312 . 1 . 1 32 32 THR HB H 1 3.99 . . . . . . . A 32 THR HB . 34420 1 313 . 1 . 1 32 32 THR HG21 H 1 1.08 . . . . . . . A 32 THR HG21 . 34420 1 314 . 1 . 1 32 32 THR HG22 H 1 1.08 . . . . . . . A 32 THR HG22 . 34420 1 315 . 1 . 1 32 32 THR HG23 H 1 1.08 . . . . . . . A 32 THR HG23 . 34420 1 316 . 1 . 1 32 32 THR CA C 13 62.18 . . . . . . . A 32 THR CA . 34420 1 317 . 1 . 1 32 32 THR CB C 13 68.61 . . . . . . . A 32 THR CB . 34420 1 318 . 1 . 1 32 32 THR CG2 C 13 21.55 . . . . . . . A 32 THR CG2 . 34420 1 319 . 1 . 1 32 32 THR N N 15 117.2 . . . . . . . A 32 THR N . 34420 1 320 . 1 . 1 33 33 LEU H H 1 8.98 . . . . . . . A 33 LEU H . 34420 1 321 . 1 . 1 33 33 LEU HA H 1 4.31 . . . . . . . A 33 LEU HA . 34420 1 322 . 1 . 1 33 33 LEU HB2 H 1 1.75 . . . . . . . A 33 LEU HB2 . 34420 1 323 . 1 . 1 33 33 LEU HB3 H 1 1.93 . . . . . . . A 33 LEU HB3 . 34420 1 324 . 1 . 1 33 33 LEU HG H 1 1.07 . . . . . . . A 33 LEU HG . 34420 1 325 . 1 . 1 33 33 LEU HD11 H 1 0.63 . . . . . . . A 33 LEU HD11 . 34420 1 326 . 1 . 1 33 33 LEU HD12 H 1 0.63 . . . . . . . A 33 LEU HD12 . 34420 1 327 . 1 . 1 33 33 LEU HD13 H 1 0.63 . . . . . . . A 33 LEU HD13 . 34420 1 328 . 1 . 1 33 33 LEU CA C 13 53.79 . . . . . . . A 33 LEU CA . 34420 1 329 . 1 . 1 33 33 LEU CB C 13 42.13 . . . . . . . A 33 LEU CB . 34420 1 330 . 1 . 1 33 33 LEU CG C 13 24.26 . . . . . . . A 33 LEU CG . 34420 1 331 . 1 . 1 33 33 LEU CD1 C 13 22.58 . . . . . . . A 33 LEU CD1 . 34420 1 332 . 1 . 1 33 33 LEU N N 15 129 . . . . . . . A 33 LEU N . 34420 1 333 . 1 . 1 34 34 LEU H H 1 8.98 . . . . . . . A 34 LEU H . 34420 1 334 . 1 . 1 34 34 LEU HA H 1 4.45 . . . . . . . A 34 LEU HA . 34420 1 335 . 1 . 1 34 34 LEU HB2 H 1 1.08 . . . . . . . A 34 LEU HB2 . 34420 1 336 . 1 . 1 34 34 LEU HB3 H 1 1.37 . . . . . . . A 34 LEU HB3 . 34420 1 337 . 1 . 1 34 34 LEU HG H 1 1.54 . . . . . . . A 34 LEU HG . 34420 1 338 . 1 . 1 34 34 LEU HD11 H 1 0.26 . . . . . . . A 34 LEU HD11 . 34420 1 339 . 1 . 1 34 34 LEU HD12 H 1 0.26 . . . . . . . A 34 LEU HD12 . 34420 1 340 . 1 . 1 34 34 LEU HD13 H 1 0.26 . . . . . . . A 34 LEU HD13 . 34420 1 341 . 1 . 1 34 34 LEU CA C 13 53.93 . . . . . . . A 34 LEU CA . 34420 1 342 . 1 . 1 34 34 LEU CB C 13 41.4 . . . . . . . A 34 LEU CB . 34420 1 343 . 1 . 1 34 34 LEU CG C 13 24.66 . . . . . . . A 34 LEU CG . 34420 1 344 . 1 . 1 34 34 LEU CD1 C 13 20.81 . . . . . . . A 34 LEU CD1 . 34420 1 345 . 1 . 1 34 34 LEU N N 15 126.3 . . . . . . . A 34 LEU N . 34420 1 346 . 1 . 1 35 35 ASN H H 1 7.55 . . . . . . . A 35 ASN H . 34420 1 347 . 1 . 1 35 35 ASN HA H 1 4.68 . . . . . . . A 35 ASN HA . 34420 1 348 . 1 . 1 35 35 ASN HB2 H 1 2.6 . . . . . . . A 35 ASN HB2 . 34420 1 349 . 1 . 1 35 35 ASN HB3 H 1 2.74 . . . . . . . A 35 ASN HB3 . 34420 1 350 . 1 . 1 35 35 ASN HD21 H 1 7.14 . . . . . . . A 35 ASN HD21 . 34420 1 351 . 1 . 1 35 35 ASN HD22 H 1 7.9 . . . . . . . A 35 ASN HD22 . 34420 1 352 . 1 . 1 35 35 ASN CA C 13 53.22 . . . . . . . A 35 ASN CA . 34420 1 353 . 1 . 1 35 35 ASN CB C 13 39.89 . . . . . . . A 35 ASN CB . 34420 1 354 . 1 . 1 35 35 ASN N N 15 114 . . . . . . . A 35 ASN N . 34420 1 355 . 1 . 1 35 35 ASN ND2 N 15 115.04 . . . . . . . A 35 ASN ND2 . 34420 1 356 . 1 . 1 36 36 SER H H 1 9.06 . . . . . . . A 36 SER H . 34420 1 357 . 1 . 1 36 36 SER HA H 1 3.9 . . . . . . . A 36 SER HA . 34420 1 358 . 1 . 1 36 36 SER HB2 H 1 1.97 . . . . . . . A 36 SER HB2 . 34420 1 359 . 1 . 1 36 36 SER HB3 H 1 2.77 . . . . . . . A 36 SER HB3 . 34420 1 360 . 1 . 1 36 36 SER CA C 13 55.96 . . . . . . . A 36 SER CA . 34420 1 361 . 1 . 1 36 36 SER CB C 13 61.11 . . . . . . . A 36 SER CB . 34420 1 362 . 1 . 1 36 36 SER N N 15 123.5 . . . . . . . A 36 SER N . 34420 1 363 . 1 . 1 37 37 THR H H 1 8.13 . . . . . . . A 37 THR H . 34420 1 364 . 1 . 1 37 37 THR HA H 1 3.9 . . . . . . . A 37 THR HA . 34420 1 365 . 1 . 1 37 37 THR HB H 1 4.2 . . . . . . . A 37 THR HB . 34420 1 366 . 1 . 1 37 37 THR HG21 H 1 1.24 . . . . . . . A 37 THR HG1 . 34420 1 367 . 1 . 1 37 37 THR HG22 H 1 1.24 . . . . . . . A 37 THR HG1 . 34420 1 368 . 1 . 1 37 37 THR HG23 H 1 1.24 . . . . . . . A 37 THR HG1 . 34420 1 369 . 1 . 1 37 37 THR CA C 13 64.48 . . . . . . . A 37 THR CA . 34420 1 370 . 1 . 1 37 37 THR CB C 13 68.33 . . . . . . . A 37 THR CB . 34420 1 371 . 1 . 1 37 37 THR CG2 C 13 21.18 . . . . . . . A 37 THR CG2 . 34420 1 372 . 1 . 1 37 37 THR N N 15 115.4 . . . . . . . A 37 THR N . 34420 1 373 . 1 . 1 38 38 ASN H H 1 8.66 . . . . . . . A 38 ASN H . 34420 1 374 . 1 . 1 38 38 ASN HA H 1 4.78 . . . . . . . A 38 ASN HA . 34420 1 375 . 1 . 1 38 38 ASN HB2 H 1 2.84 . . . . . . . A 38 ASN HB2 . 34420 1 376 . 1 . 1 38 38 ASN HB3 H 1 3.67 . . . . . . . A 38 ASN HB3 . 34420 1 377 . 1 . 1 38 38 ASN HD21 H 1 7.26 . . . . . . . A 38 ASN HD21 . 34420 1 378 . 1 . 1 38 38 ASN HD22 H 1 7.9 . . . . . . . A 38 ASN HD22 . 34420 1 379 . 1 . 1 38 38 ASN CA C 13 52.29 . . . . . . . A 38 ASN CA . 34420 1 380 . 1 . 1 38 38 ASN CB C 13 39.47 . . . . . . . A 38 ASN CB . 34420 1 381 . 1 . 1 38 38 ASN N N 15 122.6 . . . . . . . A 38 ASN N . 34420 1 382 . 1 . 1 38 38 ASN ND2 N 15 114.53 . . . . . . . A 38 ASN ND2 . 34420 1 383 . 1 . 1 39 39 LYS H H 1 8.44 . . . . . . . A 39 LYS H . 34420 1 384 . 1 . 1 39 39 LYS HA H 1 4.18 . . . . . . . A 39 LYS HA . 34420 1 385 . 1 . 1 39 39 LYS HB2 H 1 1.74 . . . . . . . A 39 LYS HB2 . 34420 1 386 . 1 . 1 39 39 LYS HB3 H 1 1.76 . . . . . . . A 39 LYS HB3 . 34420 1 387 . 1 . 1 39 39 LYS HG2 H 1 1.37 . . . . . . . A 39 LYS HG2 . 34420 1 388 . 1 . 1 39 39 LYS HG3 H 1 1.39 . . . . . . . A 39 LYS HG3 . 34420 1 389 . 1 . 1 39 39 LYS HD2 H 1 1.6 . . . . . . . A 39 LYS HD2 . 34420 1 390 . 1 . 1 39 39 LYS CA C 13 57.5 . . . . . . . A 39 LYS CA . 34420 1 391 . 1 . 1 39 39 LYS CB C 13 32.02 . . . . . . . A 39 LYS CB . 34420 1 392 . 1 . 1 39 39 LYS CG C 13 23.12 . . . . . . . A 39 LYS CG . 34420 1 393 . 1 . 1 39 39 LYS CD C 13 27.91 . . . . . . . A 39 LYS CD . 34420 1 394 . 1 . 1 39 39 LYS N N 15 120.9 . . . . . . . A 39 LYS N . 34420 1 395 . 1 . 1 40 40 ASP H H 1 8.21 . . . . . . . A 40 ASP H . 34420 1 396 . 1 . 1 40 40 ASP HA H 1 4.5 . . . . . . . A 40 ASP HA . 34420 1 397 . 1 . 1 40 40 ASP HB2 H 1 2.26 . . . . . . . A 40 ASP HB2 . 34420 1 398 . 1 . 1 40 40 ASP HB3 H 1 2.64 . . . . . . . A 40 ASP HB3 . 34420 1 399 . 1 . 1 40 40 ASP CA C 13 53.89 . . . . . . . A 40 ASP CA . 34420 1 400 . 1 . 1 40 40 ASP CB C 13 41.52 . . . . . . . A 40 ASP CB . 34420 1 401 . 1 . 1 40 40 ASP N N 15 114.4 . . . . . . . A 40 ASP N . 34420 1 402 . 1 . 1 41 41 TRP H H 1 8.1 . . . . . . . A 41 TRP H . 34420 1 403 . 1 . 1 41 41 TRP HA H 1 5.02 . . . . . . . A 41 TRP HA . 34420 1 404 . 1 . 1 41 41 TRP HB2 H 1 2.74 . . . . . . . A 41 TRP HB2 . 34420 1 405 . 1 . 1 41 41 TRP HB3 H 1 2.89 . . . . . . . A 41 TRP HB3 . 34420 1 406 . 1 . 1 41 41 TRP HD1 H 1 7.02 . . . . . . . A 41 TRP HD1 . 34420 1 407 . 1 . 1 41 41 TRP HE1 H 1 7.02 . . . . . . . A 41 TRP HE1 . 34420 1 408 . 1 . 1 41 41 TRP HE3 H 1 10 . . . . . . . A 41 TRP HE3 . 34420 1 409 . 1 . 1 41 41 TRP HZ2 H 1 7.31 . . . . . . . A 41 TRP HZ2 . 34420 1 410 . 1 . 1 41 41 TRP HZ3 H 1 6.55 . . . . . . . A 41 TRP HZ3 . 34420 1 411 . 1 . 1 41 41 TRP HH2 H 1 7.16 . . . . . . . A 41 TRP HH2 . 34420 1 412 . 1 . 1 41 41 TRP CA C 13 55.04 . . . . . . . A 41 TRP CA . 34420 1 413 . 1 . 1 41 41 TRP CB C 13 31.22 . . . . . . . A 41 TRP CB . 34420 1 414 . 1 . 1 41 41 TRP CD1 C 13 127.3 . . . . . . . A 41 TRP CD1 . 34420 1 415 . 1 . 1 41 41 TRP CE3 C 13 119.34 . . . . . . . A 41 TRP CE3 . 34420 1 416 . 1 . 1 41 41 TRP CZ3 C 13 120.48 . . . . . . . A 41 TRP CZ3 . 34420 1 417 . 1 . 1 41 41 TRP CH2 C 13 124.28 . . . . . . . A 41 TRP CH2 . 34420 1 418 . 1 . 1 41 41 TRP N N 15 123 . . . . . . . A 41 TRP N . 34420 1 419 . 1 . 1 41 41 TRP NE1 N 15 128.84 . . . . . . . A 41 TRP NE1 . 34420 1 420 . 1 . 1 42 42 TRP H H 1 9.29 . . . . . . . A 42 TRP H . 34420 1 421 . 1 . 1 42 42 TRP HA H 1 5.47 . . . . . . . A 42 TRP HA . 34420 1 422 . 1 . 1 42 42 TRP HB2 H 1 2.74 . . . . . . . A 42 TRP HB2 . 34420 1 423 . 1 . 1 42 42 TRP HB3 H 1 2.9 . . . . . . . A 42 TRP HB3 . 34420 1 424 . 1 . 1 42 42 TRP HE1 H 1 6.63 . . . . . . . A 42 TRP HE1 . 34420 1 425 . 1 . 1 42 42 TRP HE3 H 1 9.23 . . . . . . . A 42 TRP HE3 . 34420 1 426 . 1 . 1 42 42 TRP HZ3 H 1 7.14 . . . . . . . A 42 TRP HZ3 . 34420 1 427 . 1 . 1 42 42 TRP HH2 H 1 7.47 . . . . . . . A 42 TRP HH2 . 34420 1 428 . 1 . 1 42 42 TRP CA C 13 53.1 . . . . . . . A 42 TRP CA . 34420 1 429 . 1 . 1 42 42 TRP CB C 13 30.46 . . . . . . . A 42 TRP CB . 34420 1 430 . 1 . 1 42 42 TRP CE3 C 13 119.89 . . . . . . . A 42 TRP CE3 . 34420 1 431 . 1 . 1 42 42 TRP CZ3 C 13 120.48 . . . . . . . A 42 TRP CZ3 . 34420 1 432 . 1 . 1 42 42 TRP CH2 C 13 125.27 . . . . . . . A 42 TRP CH2 . 34420 1 433 . 1 . 1 42 42 TRP N N 15 124.8 . . . . . . . A 42 TRP N . 34420 1 434 . 1 . 1 42 42 TRP NE1 N 15 129.25 . . . . . . . A 42 TRP NE1 . 34420 1 435 . 1 . 1 43 43 LYS H H 1 8.84 . . . . . . . A 43 LYS H . 34420 1 436 . 1 . 1 43 43 LYS HA H 1 4.32 . . . . . . . A 43 LYS HA . 34420 1 437 . 1 . 1 43 43 LYS HB2 H 1 1.06 . . . . . . . A 43 LYS HB2 . 34420 1 438 . 1 . 1 43 43 LYS HB3 H 1 2.64 . . . . . . . A 43 LYS HB3 . 34420 1 439 . 1 . 1 43 43 LYS HG2 H 1 0.93 . . . . . . . A 43 LYS HG2 . 34420 1 440 . 1 . 1 43 43 LYS HG3 H 1 0.95 . . . . . . . A 43 LYS HG3 . 34420 1 441 . 1 . 1 43 43 LYS HD2 H 1 1.29 . . . . . . . A 43 LYS HD2 . 34420 1 442 . 1 . 1 43 43 LYS CA C 13 54.29 . . . . . . . A 43 LYS CA . 34420 1 443 . 1 . 1 43 43 LYS CB C 13 33 . . . . . . . A 43 LYS CB . 34420 1 444 . 1 . 1 43 43 LYS CG C 13 24.44 . . . . . . . A 43 LYS CG . 34420 1 445 . 1 . 1 43 43 LYS CD C 13 27.83 . . . . . . . A 43 LYS CD . 34420 1 446 . 1 . 1 43 43 LYS N N 15 124.2 . . . . . . . A 43 LYS N . 34420 1 447 . 1 . 1 44 44 VAL H H 1 9.33 . . . . . . . A 44 VAL H . 34420 1 448 . 1 . 1 44 44 VAL HA H 1 5.32 . . . . . . . A 44 VAL HA . 34420 1 449 . 1 . 1 44 44 VAL HB H 1 2.03 . . . . . . . A 44 VAL HB . 34420 1 450 . 1 . 1 44 44 VAL HG11 H 1 0.76 . . . . . . . A 44 VAL HG11 . 34420 1 451 . 1 . 1 44 44 VAL HG12 H 1 0.76 . . . . . . . A 44 VAL HG12 . 34420 1 452 . 1 . 1 44 44 VAL HG13 H 1 0.76 . . . . . . . A 44 VAL HG13 . 34420 1 453 . 1 . 1 44 44 VAL HG21 H 1 0.71 . . . . . . . A 44 VAL HG21 . 34420 1 454 . 1 . 1 44 44 VAL HG22 H 1 0.71 . . . . . . . A 44 VAL HG22 . 34420 1 455 . 1 . 1 44 44 VAL HG23 H 1 0.71 . . . . . . . A 44 VAL HG23 . 34420 1 456 . 1 . 1 44 44 VAL CA C 13 57.98 . . . . . . . A 44 VAL CA . 34420 1 457 . 1 . 1 44 44 VAL CB C 13 35.86 . . . . . . . A 44 VAL CB . 34420 1 458 . 1 . 1 44 44 VAL CG1 C 13 18.13 . . . . . . . A 44 VAL CG1 . 34420 1 459 . 1 . 1 44 44 VAL CG2 C 13 20.73 . . . . . . . A 44 VAL CG2 . 34420 1 460 . 1 . 1 44 44 VAL N N 15 122.1 . . . . . . . A 44 VAL N . 34420 1 461 . 1 . 1 45 45 GLU H H 1 8.59 . . . . . . . A 45 GLU H . 34420 1 462 . 1 . 1 45 45 GLU HA H 1 5.33 . . . . . . . A 45 GLU HA . 34420 1 463 . 1 . 1 45 45 GLU HB2 H 1 1.84 . . . . . . . A 45 GLU HB2 . 34420 1 464 . 1 . 1 45 45 GLU HB3 H 1 1.89 . . . . . . . A 45 GLU HB3 . 34420 1 465 . 1 . 1 45 45 GLU HG2 H 1 2.18 . . . . . . . A 45 GLU HG2 . 34420 1 466 . 1 . 1 45 45 GLU HG3 H 1 2.2 . . . . . . . A 45 GLU HG3 . 34420 1 467 . 1 . 1 45 45 GLU CA C 13 53.1 . . . . . . . A 45 GLU CA . 34420 1 468 . 1 . 1 45 45 GLU CB C 13 31.52 . . . . . . . A 45 GLU CB . 34420 1 469 . 1 . 1 45 45 GLU N N 15 118.6 . . . . . . . A 45 GLU N . 34420 1 470 . 1 . 1 46 46 VAL H H 1 8.83 . . . . . . . A 46 VAL H . 34420 1 471 . 1 . 1 46 46 VAL HA H 1 4.44 . . . . . . . A 46 VAL HA . 34420 1 472 . 1 . 1 46 46 VAL HB H 1 2.05 . . . . . . . A 46 VAL HB . 34420 1 473 . 1 . 1 46 46 VAL HG11 H 1 0.91 . . . . . . . A 46 VAL HG11 . 34420 1 474 . 1 . 1 46 46 VAL HG12 H 1 0.91 . . . . . . . A 46 VAL HG12 . 34420 1 475 . 1 . 1 46 46 VAL HG13 H 1 0.91 . . . . . . . A 46 VAL HG13 . 34420 1 476 . 1 . 1 46 46 VAL HG21 H 1 0.99 . . . . . . . A 46 VAL HG21 . 34420 1 477 . 1 . 1 46 46 VAL HG22 H 1 0.99 . . . . . . . A 46 VAL HG22 . 34420 1 478 . 1 . 1 46 46 VAL HG23 H 1 0.99 . . . . . . . A 46 VAL HG23 . 34420 1 479 . 1 . 1 46 46 VAL CA C 13 59.63 . . . . . . . A 46 VAL CA . 34420 1 480 . 1 . 1 46 46 VAL CB C 13 32.61 . . . . . . . A 46 VAL CB . 34420 1 481 . 1 . 1 46 46 VAL CG1 C 13 20.12 . . . . . . . A 46 VAL CG1 . 34420 1 482 . 1 . 1 46 46 VAL CG2 C 13 18.03 . . . . . . . A 46 VAL CG2 . 34420 1 483 . 1 . 1 46 46 VAL N N 15 125 . . . . . . . A 46 VAL N . 34420 1 484 . 1 . 1 47 47 ASN H H 1 9.37 . . . . . . . A 47 ASN H . 34420 1 485 . 1 . 1 47 47 ASN HA H 1 4.25 . . . . . . . A 47 ASN HA . 34420 1 486 . 1 . 1 47 47 ASN HB2 H 1 2.81 . . . . . . . A 47 ASN HB2 . 34420 1 487 . 1 . 1 47 47 ASN HB3 H 1 2.97 . . . . . . . A 47 ASN HB3 . 34420 1 488 . 1 . 1 47 47 ASN HD21 H 1 6.97 . . . . . . . A 47 ASN HD21 . 34420 1 489 . 1 . 1 47 47 ASN HD22 H 1 7.58 . . . . . . . A 47 ASN HD22 . 34420 1 490 . 1 . 1 47 47 ASN CA C 13 54.23 . . . . . . . A 47 ASN CA . 34420 1 491 . 1 . 1 47 47 ASN CB C 13 36.41 . . . . . . . A 47 ASN CB . 34420 1 492 . 1 . 1 47 47 ASN N N 15 126.6 . . . . . . . A 47 ASN N . 34420 1 493 . 1 . 1 47 47 ASN ND2 N 15 113.73 . . . . . . . A 47 ASN ND2 . 34420 1 494 . 1 . 1 48 48 ASP H H 1 8.66 . . . . . . . A 48 ASP H . 34420 1 495 . 1 . 1 48 48 ASP HA H 1 4.42 . . . . . . . A 48 ASP HA . 34420 1 496 . 1 . 1 48 48 ASP HB2 H 1 2.93 . . . . . . . A 48 ASP HB2 . 34420 1 497 . 1 . 1 48 48 ASP HB3 H 1 2.98 . . . . . . . A 48 ASP HB3 . 34420 1 498 . 1 . 1 48 48 ASP CA C 13 53.62 . . . . . . . A 48 ASP CA . 34420 1 499 . 1 . 1 48 48 ASP CB C 13 37.54 . . . . . . . A 48 ASP CB . 34420 1 500 . 1 . 1 48 48 ASP N N 15 112.5 . . . . . . . A 48 ASP N . 34420 1 501 . 1 . 1 49 49 ARG H H 1 8.12 . . . . . . . A 49 ARG H . 34420 1 502 . 1 . 1 49 49 ARG HA H 1 4.66 . . . . . . . A 49 ARG HA . 34420 1 503 . 1 . 1 49 49 ARG HB2 H 1 1.83 . . . . . . . A 49 ARG HB2 . 34420 1 504 . 1 . 1 49 49 ARG HB3 H 1 1.85 . . . . . . . A 49 ARG HB3 . 34420 1 505 . 1 . 1 49 49 ARG HG2 H 1 1.65 . . . . . . . A 49 ARG HG2 . 34420 1 506 . 1 . 1 49 49 ARG HG3 H 1 1.68 . . . . . . . A 49 ARG HG3 . 34420 1 507 . 1 . 1 49 49 ARG HD2 H 1 3.23 . . . . . . . A 49 ARG HD2 . 34420 1 508 . 1 . 1 49 49 ARG HD3 H 1 3.26 . . . . . . . A 49 ARG HD3 . 34420 1 509 . 1 . 1 49 49 ARG CA C 13 54.04 . . . . . . . A 49 ARG CA . 34420 1 510 . 1 . 1 49 49 ARG CB C 13 31.31 . . . . . . . A 49 ARG CB . 34420 1 511 . 1 . 1 49 49 ARG CG C 13 26.16 . . . . . . . A 49 ARG CG . 34420 1 512 . 1 . 1 49 49 ARG CD C 13 42.14 . . . . . . . A 49 ARG CD . 34420 1 513 . 1 . 1 49 49 ARG N N 15 120.5 . . . . . . . A 49 ARG N . 34420 1 514 . 1 . 1 50 50 GLN H H 1 8.46 . . . . . . . A 50 GLN H . 34420 1 515 . 1 . 1 50 50 GLN HA H 1 5.48 . . . . . . . A 50 GLN HA . 34420 1 516 . 1 . 1 50 50 GLN HB2 H 1 1.77 . . . . . . . A 50 GLN HB2 . 34420 1 517 . 1 . 1 50 50 GLN HB3 H 1 1.79 . . . . . . . A 50 GLN HB3 . 34420 1 518 . 1 . 1 50 50 GLN HG2 H 1 2.17 . . . . . . . A 50 GLN HG2 . 34420 1 519 . 1 . 1 50 50 GLN HG3 H 1 2.17 . . . . . . . A 50 GLN HG3 . 34420 1 520 . 1 . 1 50 50 GLN HE21 H 1 6.65 . . . . . . . A 50 GLN HE21 . 34420 1 521 . 1 . 1 50 50 GLN HE22 H 1 7.17 . . . . . . . A 50 GLN HE22 . 34420 1 522 . 1 . 1 50 50 GLN CA C 13 52.38 . . . . . . . A 50 GLN CA . 34420 1 523 . 1 . 1 50 50 GLN CB C 13 30.57 . . . . . . . A 50 GLN CB . 34420 1 524 . 1 . 1 50 50 GLN CG C 13 32.57 . . . . . . . A 50 GLN CG . 34420 1 525 . 1 . 1 50 50 GLN N N 15 118.7 . . . . . . . A 50 GLN N . 34420 1 526 . 1 . 1 50 50 GLN NE2 N 15 110.33 . . . . . . . A 50 GLN NE2 . 34420 1 527 . 1 . 1 51 51 GLY H H 1 8.57 . . . . . . . A 51 GLY H . 34420 1 528 . 1 . 1 51 51 GLY HA2 H 1 3.89 . . . . . . . A 51 GLY HA2 . 34420 1 529 . 1 . 1 51 51 GLY HA3 H 1 3.89 . . . . . . . A 51 GLY HA2 . 34420 1 530 . 1 . 1 51 51 GLY CA C 13 44.38 . . . . . . . A 51 GLY CA . 34420 1 531 . 1 . 1 51 51 GLY N N 15 107 . . . . . . . A 51 GLY N . 34420 1 532 . 1 . 1 52 52 PHE H H 1 9.18 . . . . . . . A 52 PHE H . 34420 1 533 . 1 . 1 52 52 PHE HA H 1 5.57 . . . . . . . A 52 PHE HA . 34420 1 534 . 1 . 1 52 52 PHE HB2 H 1 2.55 . . . . . . . A 52 PHE HB2 . 34420 1 535 . 1 . 1 52 52 PHE HB3 H 1 3.08 . . . . . . . A 52 PHE HB3 . 34420 1 536 . 1 . 1 52 52 PHE HD1 H 1 7.08 . . . . . . . A 52 PHE HD1 . 34420 1 537 . 1 . 1 52 52 PHE HD2 H 1 7.08 . . . . . . . A 52 PHE HD2 . 34420 1 538 . 1 . 1 52 52 PHE HE1 H 1 7.38 . . . . . . . A 52 PHE HE1 . 34420 1 539 . 1 . 1 52 52 PHE HE2 H 1 7.383 . . . . . . . A 52 PHE HE2 . 34420 1 540 . 1 . 1 52 52 PHE CA C 13 57.41 . . . . . . . A 52 PHE CA . 34420 1 541 . 1 . 1 52 52 PHE CB C 13 41.2 . . . . . . . A 52 PHE CB . 34420 1 542 . 1 . 1 52 52 PHE CD2 C 13 130.92 . . . . . . . A 52 PHE CD2 . 34420 1 543 . 1 . 1 52 52 PHE CE1 C 13 131 . . . . . . . A 52 PHE CE1 . 34420 1 544 . 1 . 1 52 52 PHE N N 15 119.1 . . . . . . . A 52 PHE N . 34420 1 545 . 1 . 1 53 53 VAL H H 1 9.01 . . . . . . . A 53 VAL H . 34420 1 546 . 1 . 1 53 53 VAL HA H 1 4.73 . . . . . . . A 53 VAL HA . 34420 1 547 . 1 . 1 53 53 VAL N N 15 111.1 . . . . . . . A 53 VAL N . 34420 1 548 . 1 . 1 54 54 PRO HA H 1 3.49 . . . . . . . A 54 PRO HA . 34420 1 549 . 1 . 1 54 54 PRO HB2 H 1 0.71 . . . . . . . A 54 PRO HB2 . 34420 1 550 . 1 . 1 54 54 PRO HB3 H 1 1.22 . . . . . . . A 54 PRO HB3 . 34420 1 551 . 1 . 1 54 54 PRO HD2 H 1 3.72 . . . . . . . A 54 PRO HD2 . 34420 1 552 . 1 . 1 54 54 PRO CA C 13 60.79 . . . . . . . A 54 PRO CA . 34420 1 553 . 1 . 1 54 54 PRO CB C 13 29.3 . . . . . . . A 54 PRO CB . 34420 1 554 . 1 . 1 54 54 PRO CD C 13 50.87 . . . . . . . A 54 PRO CD . 34420 1 555 . 1 . 1 55 55 ALA H H 1 7.41 . . . . . . . A 55 ALA H . 34420 1 556 . 1 . 1 55 55 ALA HA H 1 2.6 . . . . . . . A 55 ALA HA . 34420 1 557 . 1 . 1 55 55 ALA HB1 H 1 0.15 . . . . . . . A 55 ALA HB1 . 34420 1 558 . 1 . 1 55 55 ALA HB2 H 1 0.15 . . . . . . . A 55 ALA HB2 . 34420 1 559 . 1 . 1 55 55 ALA HB3 H 1 0.15 . . . . . . . A 55 ALA HB3 . 34420 1 560 . 1 . 1 55 55 ALA CA C 13 53.51 . . . . . . . A 55 ALA CA . 34420 1 561 . 1 . 1 55 55 ALA CB C 13 15 . . . . . . . A 55 ALA CB . 34420 1 562 . 1 . 1 55 55 ALA N N 15 129.2 . . . . . . . A 55 ALA N . 34420 1 563 . 1 . 1 56 56 ALA H H 1 7.78 . . . . . . . A 56 ALA H . 34420 1 564 . 1 . 1 56 56 ALA HA H 1 3.94 . . . . . . . A 56 ALA HA . 34420 1 565 . 1 . 1 56 56 ALA HB1 H 1 1.12 . . . . . . . A 56 ALA HB1 . 34420 1 566 . 1 . 1 56 56 ALA HB2 H 1 1.12 . . . . . . . A 56 ALA HB2 . 34420 1 567 . 1 . 1 56 56 ALA HB3 H 1 1.12 . . . . . . . A 56 ALA HB3 . 34420 1 568 . 1 . 1 56 56 ALA CA C 13 52.07 . . . . . . . A 56 ALA CA . 34420 1 569 . 1 . 1 56 56 ALA CB C 13 17.3 . . . . . . . A 56 ALA CB . 34420 1 570 . 1 . 1 56 56 ALA N N 15 113.4 . . . . . . . A 56 ALA N . 34420 1 571 . 1 . 1 57 57 TYR H H 1 7.66 . . . . . . . A 57 TYR H . 34420 1 572 . 1 . 1 57 57 TYR HA H 1 4.66 . . . . . . . A 57 TYR HA . 34420 1 573 . 1 . 1 57 57 TYR HB2 H 1 2.94 . . . . . . . A 57 TYR HB2 . 34420 1 574 . 1 . 1 57 57 TYR HB3 H 1 3.3 . . . . . . . A 57 TYR HB3 . 34420 1 575 . 1 . 1 57 57 TYR HE1 H 1 6.83 . . . . . . . A 57 TYR HE1 . 34420 1 576 . 1 . 1 57 57 TYR CA C 13 55.12 . . . . . . . A 57 TYR CA . 34420 1 577 . 1 . 1 57 57 TYR CB C 13 36.85 . . . . . . . A 57 TYR CB . 34420 1 578 . 1 . 1 57 57 TYR CD2 C 13 133.8 . . . . . . . A 57 TYR CD2 . 34420 1 579 . 1 . 1 57 57 TYR CE1 C 13 118.31 . . . . . . . A 57 TYR CE1 . 34420 1 580 . 1 . 1 57 57 TYR N N 15 116.1 . . . . . . . A 57 TYR N . 34420 1 581 . 1 . 1 58 58 VAL H H 1 7.35 . . . . . . . A 58 VAL H . 34420 1 582 . 1 . 1 58 58 VAL HA H 1 5.46 . . . . . . . A 58 VAL HA . 34420 1 583 . 1 . 1 58 58 VAL HB H 1 1.82 . . . . . . . A 58 VAL HB . 34420 1 584 . 1 . 1 58 58 VAL CA C 13 57.47 . . . . . . . A 58 VAL CA . 34420 1 585 . 1 . 1 58 58 VAL CB C 13 34.92 . . . . . . . A 58 VAL CB . 34420 1 586 . 1 . 1 58 58 VAL CG1 C 13 18.67 . . . . . . . A 58 VAL CG1 . 34420 1 587 . 1 . 1 58 58 VAL N N 15 111.1 . . . . . . . A 58 VAL N . 34420 1 588 . 1 . 1 59 59 LYS H H 1 8.54 . . . . . . . A 59 LYS H . 34420 1 589 . 1 . 1 59 59 LYS HA H 1 4.77 . . . . . . . A 59 LYS HA . 34420 1 590 . 1 . 1 59 59 LYS HB2 H 1 1.65 . . . . . . . A 59 LYS HB2 . 34420 1 591 . 1 . 1 59 59 LYS HB3 H 1 1.68 . . . . . . . A 59 LYS HB3 . 34420 1 592 . 1 . 1 59 59 LYS HG2 H 1 1.36 . . . . . . . A 59 LYS HG2 . 34420 1 593 . 1 . 1 59 59 LYS HG3 H 1 1.38 . . . . . . . A 59 LYS HG3 . 34420 1 594 . 1 . 1 59 59 LYS HD2 H 1 1.62 . . . . . . . A 59 LYS HD2 . 34420 1 595 . 1 . 1 59 59 LYS CA C 13 53.12 . . . . . . . A 59 LYS CA . 34420 1 596 . 1 . 1 59 59 LYS CB C 13 35.8 . . . . . . . A 59 LYS CB . 34420 1 597 . 1 . 1 59 59 LYS CG C 13 23 . . . . . . . A 59 LYS CG . 34420 1 598 . 1 . 1 59 59 LYS CD C 13 28.2 . . . . . . . A 59 LYS CD . 34420 1 599 . 1 . 1 59 59 LYS N N 15 118.6 . . . . . . . A 59 LYS N . 34420 1 600 . 1 . 1 60 60 LYS H H 1 9.17 . . . . . . . A 60 LYS H . 34420 1 601 . 1 . 1 60 60 LYS HA H 1 4.4 . . . . . . . A 60 LYS HA . 34420 1 602 . 1 . 1 60 60 LYS HB2 H 1 1.79 . . . . . . . A 60 LYS HB2 . 34420 1 603 . 1 . 1 60 60 LYS HB3 H 1 1.97 . . . . . . . A 60 LYS HB3 . 34420 1 604 . 1 . 1 60 60 LYS HG2 H 1 1.3 . . . . . . . A 60 LYS HG2 . 34420 1 605 . 1 . 1 60 60 LYS CA C 13 57.47 . . . . . . . A 60 LYS CA . 34420 1 606 . 1 . 1 60 60 LYS CB C 13 32.01 . . . . . . . A 60 LYS CB . 34420 1 607 . 1 . 1 60 60 LYS CG C 13 24.93 . . . . . . . A 60 LYS CG . 34420 1 608 . 1 . 1 60 60 LYS N N 15 125.8 . . . . . . . A 60 LYS N . 34420 1 609 . 1 . 1 61 61 LEU H H 1 8.43 . . . . . . . A 61 LEU H . 34420 1 610 . 1 . 1 61 61 LEU HA H 1 4.39 . . . . . . . A 61 LEU HA . 34420 1 611 . 1 . 1 61 61 LEU HB2 H 1 1.49 . . . . . . . A 61 LEU HB2 . 34420 1 612 . 1 . 1 61 61 LEU HB3 H 1 1.52 . . . . . . . A 61 LEU HB3 . 34420 1 613 . 1 . 1 61 61 LEU HD11 H 1 0.78 . . . . . . . A 61 LEU HD11 . 34420 1 614 . 1 . 1 61 61 LEU HD12 H 1 0.78 . . . . . . . A 61 LEU HD12 . 34420 1 615 . 1 . 1 61 61 LEU HD13 H 1 0.78 . . . . . . . A 61 LEU HD13 . 34420 1 616 . 1 . 1 61 61 LEU CA C 13 53.8 . . . . . . . A 61 LEU CA . 34420 1 617 . 1 . 1 61 61 LEU CB C 13 41.8 . . . . . . . A 61 LEU CB . 34420 1 618 . 1 . 1 61 61 LEU CG C 13 24.84 . . . . . . . A 61 LEU CG . 34420 1 619 . 1 . 1 61 61 LEU CD1 C 13 22.03 . . . . . . . A 61 LEU CD1 . 34420 1 620 . 1 . 1 61 61 LEU N N 15 125 . . . . . . . A 61 LEU N . 34420 1 621 . 1 . 1 62 62 ASP H H 1 7.97 . . . . . . . A 62 ASP H . 34420 1 622 . 1 . 1 62 62 ASP HA H 1 4.45 . . . . . . . A 62 ASP HA . 34420 1 623 . 1 . 1 62 62 ASP HB2 H 1 2.87 . . . . . . . A 62 ASP HB2 . 34420 1 624 . 1 . 1 62 62 ASP HB3 H 1 2.88 . . . . . . . A 62 ASP HB3 . 34420 1 625 . 1 . 1 62 62 ASP N N 15 122.8 . . . . . . . A 62 ASP N . 34420 1 stop_ save_