data_34894 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34894 _Entry.Title ; Solution NMR structure of Pacsin 2 SH3 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-01-25 _Entry.Accession_date 2024-01-25 _Entry.Last_release_date 2024-02-22 _Entry.Original_release_date 2024-02-22 _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 H. Tossavainen H. . . . 34894 2 P. Permi P. . . . 34894 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FAP52 . 34894 'PEPTIDE BINDING PROTEIN' . 34894 'SH3 domain' . 34894 pacsin . 34894 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34894 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 283 34894 '15N chemical shifts' 67 34894 '1H chemical shifts' 431 34894 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-02-04 . original BMRB . 34894 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8RSW 'BMRB Entry Tracking System' 34894 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34894 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution NMR structure of Pacsin 2 SH3 domain ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 H. Tossavainen H. . . . 34894 1 2 P. Permi P. . . . 34894 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34894 _Assembly.ID 1 _Assembly.Name 'Protein kinase C and casein kinase substrate in neurons protein 2' _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 . . . . . . 34894 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34894 _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 ; GSRRASVGSVRVRALYDYEG QEQDELSFKAGDELTKMENE DEQGWCKGRLDNGQVGLYPA NYVEPIQ ; _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 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7562.211 _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 FAP52 common 34894 1 'Focal adhesion protein of 52 kDa' common 34894 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 -8 GLY . 34894 1 2 -7 SER . 34894 1 3 -6 ARG . 34894 1 4 -5 ARG . 34894 1 5 -4 ALA . 34894 1 6 -3 SER . 34894 1 7 -2 VAL . 34894 1 8 -1 GLY . 34894 1 9 0 SER . 34894 1 10 1 VAL . 34894 1 11 2 ARG . 34894 1 12 3 VAL . 34894 1 13 4 ARG . 34894 1 14 5 ALA . 34894 1 15 6 LEU . 34894 1 16 7 TYR . 34894 1 17 8 ASP . 34894 1 18 9 TYR . 34894 1 19 10 GLU . 34894 1 20 11 GLY . 34894 1 21 12 GLN . 34894 1 22 13 GLU . 34894 1 23 14 GLN . 34894 1 24 15 ASP . 34894 1 25 16 GLU . 34894 1 26 17 LEU . 34894 1 27 18 SER . 34894 1 28 19 PHE . 34894 1 29 20 LYS . 34894 1 30 21 ALA . 34894 1 31 22 GLY . 34894 1 32 23 ASP . 34894 1 33 24 GLU . 34894 1 34 25 LEU . 34894 1 35 26 THR . 34894 1 36 27 LYS . 34894 1 37 28 MET . 34894 1 38 29 GLU . 34894 1 39 30 ASN . 34894 1 40 31 GLU . 34894 1 41 32 ASP . 34894 1 42 33 GLU . 34894 1 43 34 GLN . 34894 1 44 35 GLY . 34894 1 45 36 TRP . 34894 1 46 37 CYS . 34894 1 47 38 LYS . 34894 1 48 39 GLY . 34894 1 49 40 ARG . 34894 1 50 41 LEU . 34894 1 51 42 ASP . 34894 1 52 43 ASN . 34894 1 53 44 GLY . 34894 1 54 45 GLN . 34894 1 55 46 VAL . 34894 1 56 47 GLY . 34894 1 57 48 LEU . 34894 1 58 49 TYR . 34894 1 59 50 PRO . 34894 1 60 51 ALA . 34894 1 61 52 ASN . 34894 1 62 53 TYR . 34894 1 63 54 VAL . 34894 1 64 55 GLU . 34894 1 65 56 PRO . 34894 1 66 57 ILE . 34894 1 67 58 GLN . 34894 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 34894 1 . SER 2 2 34894 1 . ARG 3 3 34894 1 . ARG 4 4 34894 1 . ALA 5 5 34894 1 . SER 6 6 34894 1 . VAL 7 7 34894 1 . GLY 8 8 34894 1 . SER 9 9 34894 1 . VAL 10 10 34894 1 . ARG 11 11 34894 1 . VAL 12 12 34894 1 . ARG 13 13 34894 1 . ALA 14 14 34894 1 . LEU 15 15 34894 1 . TYR 16 16 34894 1 . ASP 17 17 34894 1 . TYR 18 18 34894 1 . GLU 19 19 34894 1 . GLY 20 20 34894 1 . GLN 21 21 34894 1 . GLU 22 22 34894 1 . GLN 23 23 34894 1 . ASP 24 24 34894 1 . GLU 25 25 34894 1 . LEU 26 26 34894 1 . SER 27 27 34894 1 . PHE 28 28 34894 1 . LYS 29 29 34894 1 . ALA 30 30 34894 1 . GLY 31 31 34894 1 . ASP 32 32 34894 1 . GLU 33 33 34894 1 . LEU 34 34 34894 1 . THR 35 35 34894 1 . LYS 36 36 34894 1 . MET 37 37 34894 1 . GLU 38 38 34894 1 . ASN 39 39 34894 1 . GLU 40 40 34894 1 . ASP 41 41 34894 1 . GLU 42 42 34894 1 . GLN 43 43 34894 1 . GLY 44 44 34894 1 . TRP 45 45 34894 1 . CYS 46 46 34894 1 . LYS 47 47 34894 1 . GLY 48 48 34894 1 . ARG 49 49 34894 1 . LEU 50 50 34894 1 . ASP 51 51 34894 1 . ASN 52 52 34894 1 . GLY 53 53 34894 1 . GLN 54 54 34894 1 . VAL 55 55 34894 1 . GLY 56 56 34894 1 . LEU 57 57 34894 1 . TYR 58 58 34894 1 . PRO 59 59 34894 1 . ALA 60 60 34894 1 . ASN 61 61 34894 1 . TYR 62 62 34894 1 . VAL 63 63 34894 1 . GLU 64 64 34894 1 . PRO 65 65 34894 1 . ILE 66 66 34894 1 . GLN 67 67 34894 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 34894 _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 . 9031 organism . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . PACSIN2 . 34894 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 34894 _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' . . 562 Escherichia coli . . . . . . . . . . 34894 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34894 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2 mM [U-13C; U-15N] Pacsin 2 SH3 domain, 20 mM bis-TRIS, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'Pacsin 2 SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 34894 1 2 bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 34894 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 34894 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 pH 6.8 . pH 34894 1 pressure 1 . atm 34894 1 temperature 293 . K 34894 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34894 _Software.ID 1 _Software.Type . _Software.Name VNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 34894 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34894 1 processing . 34894 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34894 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34894 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34894 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34894 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34894 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34894 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34894 _Software.ID 4 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34894 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34894 4 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 34894 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34894 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 34894 _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 Varian INOVA . 600 . . . 34894 1 2 NMR_spectrometer_2 Varian INOVA . 800 . . . 34894 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 34894 _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 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34894 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34894 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34894 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34894 1 5 '3D iHNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34894 1 6 '3D iHNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34894 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34894 1 8 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34894 1 9 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34894 1 10 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34894 1 11 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34894 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34894 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34894 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 34894 _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 carbons' . . . . ppm 0 internal indirect 0.25144953 . . . . . 34894 1 H 1 water protons . . . . ppm 4.83 internal direct 1 . . . . . 34894 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 internal indirect 0.101329118 . . . . . 34894 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 34894 _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 '2D 1H-15N HSQC' . . . 34894 1 2 '2D 1H-13C HSQC' . . . 34894 1 3 '3D HNCA' . . . 34894 1 4 '3D HN(CO)CA' . . . 34894 1 5 '3D iHNCA' . . . 34894 1 6 '3D iHNCACB' . . . 34894 1 7 '3D CBCA(CO)NH' . . . 34894 1 8 '3D HNCO' . . . 34894 1 9 '3D C(CO)NH' . . . 34894 1 10 '3D H(CCO)NH' . . . 34894 1 11 '3D HCCH-COSY' . . . 34894 1 12 '3D 1H-13C NOESY' . . . 34894 1 13 '3D 1H-15N NOESY' . . . 34894 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 2 2 SER HA H 1 4.51 0.02 . 1 . . . . A -7 SER HA . 34894 1 2 . 1 . 1 2 2 SER HB2 H 1 3.85 0.02 . 2 . . . . A -7 SER HB2 . 34894 1 3 . 1 . 1 2 2 SER HB3 H 1 3.85 0.02 . 2 . . . . A -7 SER HB3 . 34894 1 4 . 1 . 1 2 2 SER C C 13 174.47 0.20 . 1 . . . . A -7 SER C . 34894 1 5 . 1 . 1 2 2 SER CA C 13 58.41 0.20 . 1 . . . . A -7 SER CA . 34894 1 6 . 1 . 1 2 2 SER CB C 13 64.08 0.20 . 1 . . . . A -7 SER CB . 34894 1 7 . 1 . 1 3 3 ARG H H 1 8.58 0.02 . 1 . . . . A -6 ARG H . 34894 1 8 . 1 . 1 3 3 ARG HB2 H 1 1.79 0.02 . 2 . . . . A -6 ARG HB2 . 34894 1 9 . 1 . 1 3 3 ARG HB3 H 1 1.79 0.02 . 2 . . . . A -6 ARG HB3 . 34894 1 10 . 1 . 1 3 3 ARG HD2 H 1 3.15 0.02 . 2 . . . . A -6 ARG HD2 . 34894 1 11 . 1 . 1 3 3 ARG HD3 H 1 3.15 0.02 . 2 . . . . A -6 ARG HD3 . 34894 1 12 . 1 . 1 3 3 ARG C C 13 176.25 0.20 . 1 . . . . A -6 ARG C . 34894 1 13 . 1 . 1 3 3 ARG CA C 13 56.28 0.20 . 1 . . . . A -6 ARG CA . 34894 1 14 . 1 . 1 3 3 ARG CB C 13 30.99 0.20 . 1 . . . . A -6 ARG CB . 34894 1 15 . 1 . 1 3 3 ARG CD C 13 43.19 0.20 . 1 . . . . A -6 ARG CD . 34894 1 16 . 1 . 1 3 3 ARG N N 15 123.39 0.20 . 1 . . . . A -6 ARG N . 34894 1 17 . 1 . 1 4 4 ARG H H 1 8.48 0.02 . 1 . . . . A -5 ARG H . 34894 1 18 . 1 . 1 4 4 ARG HA H 1 4.33 0.02 . 1 . . . . A -5 ARG HA . 34894 1 19 . 1 . 1 4 4 ARG HB2 H 1 1.84 0.02 . 2 . . . . A -5 ARG HB2 . 34894 1 20 . 1 . 1 4 4 ARG HB3 H 1 1.72 0.02 . 2 . . . . A -5 ARG HB3 . 34894 1 21 . 1 . 1 4 4 ARG HG2 H 1 1.62 0.02 . 2 . . . . A -5 ARG HG2 . 34894 1 22 . 1 . 1 4 4 ARG HG3 H 1 1.62 0.02 . 2 . . . . A -5 ARG HG3 . 34894 1 23 . 1 . 1 4 4 ARG HD2 H 1 3.16 0.02 . 2 . . . . A -5 ARG HD2 . 34894 1 24 . 1 . 1 4 4 ARG HD3 H 1 3.16 0.02 . 2 . . . . A -5 ARG HD3 . 34894 1 25 . 1 . 1 4 4 ARG C C 13 175.83 0.20 . 1 . . . . A -5 ARG C . 34894 1 26 . 1 . 1 4 4 ARG CA C 13 55.94 0.20 . 1 . . . . A -5 ARG CA . 34894 1 27 . 1 . 1 4 4 ARG CB C 13 30.97 0.20 . 1 . . . . A -5 ARG CB . 34894 1 28 . 1 . 1 4 4 ARG CG C 13 27.38 0.20 . 1 . . . . A -5 ARG CG . 34894 1 29 . 1 . 1 4 4 ARG CD C 13 43.28 0.20 . 1 . . . . A -5 ARG CD . 34894 1 30 . 1 . 1 4 4 ARG N N 15 122.87 0.20 . 1 . . . . A -5 ARG N . 34894 1 31 . 1 . 1 5 5 ALA H H 1 8.44 0.02 . 1 . . . . A -4 ALA H . 34894 1 32 . 1 . 1 5 5 ALA HA H 1 4.34 0.02 . 1 . . . . A -4 ALA HA . 34894 1 33 . 1 . 1 5 5 ALA HB1 H 1 1.39 0.02 . 1 . . . . A -4 ALA HB1 . 34894 1 34 . 1 . 1 5 5 ALA HB2 H 1 1.39 0.02 . 1 . . . . A -4 ALA HB2 . 34894 1 35 . 1 . 1 5 5 ALA HB3 H 1 1.39 0.02 . 1 . . . . A -4 ALA HB3 . 34894 1 36 . 1 . 1 5 5 ALA C C 13 177.54 0.20 . 1 . . . . A -4 ALA C . 34894 1 37 . 1 . 1 5 5 ALA CA C 13 52.51 0.20 . 1 . . . . A -4 ALA CA . 34894 1 38 . 1 . 1 5 5 ALA CB C 13 19.35 0.20 . 1 . . . . A -4 ALA CB . 34894 1 39 . 1 . 1 5 5 ALA N N 15 125.86 0.20 . 1 . . . . A -4 ALA N . 34894 1 40 . 1 . 1 6 6 SER H H 1 8.35 0.02 . 1 . . . . A -3 SER H . 34894 1 41 . 1 . 1 6 6 SER HA H 1 4.50 0.02 . 1 . . . . A -3 SER HA . 34894 1 42 . 1 . 1 6 6 SER HB2 H 1 3.86 0.02 . 2 . . . . A -3 SER HB2 . 34894 1 43 . 1 . 1 6 6 SER HB3 H 1 3.82 0.02 . 2 . . . . A -3 SER HB3 . 34894 1 44 . 1 . 1 6 6 SER C C 13 174.60 0.20 . 1 . . . . A -3 SER C . 34894 1 45 . 1 . 1 6 6 SER CA C 13 58.20 0.20 . 1 . . . . A -3 SER CA . 34894 1 46 . 1 . 1 6 6 SER CB C 13 63.87 0.20 . 1 . . . . A -3 SER CB . 34894 1 47 . 1 . 1 6 6 SER N N 15 116.08 0.20 . 1 . . . . A -3 SER N . 34894 1 48 . 1 . 1 7 7 VAL H H 1 8.27 0.02 . 1 . . . . A -2 VAL H . 34894 1 49 . 1 . 1 7 7 VAL HA H 1 4.22 0.02 . 1 . . . . A -2 VAL HA . 34894 1 50 . 1 . 1 7 7 VAL HB H 1 2.11 0.02 . 1 . . . . A -2 VAL HB . 34894 1 51 . 1 . 1 7 7 VAL HG11 H 1 0.91 0.02 . 2 . . . . A -2 VAL HG11 . 34894 1 52 . 1 . 1 7 7 VAL HG12 H 1 0.91 0.02 . 2 . . . . A -2 VAL HG12 . 34894 1 53 . 1 . 1 7 7 VAL HG13 H 1 0.91 0.02 . 2 . . . . A -2 VAL HG13 . 34894 1 54 . 1 . 1 7 7 VAL HG21 H 1 0.93 0.02 . 2 . . . . A -2 VAL HG21 . 34894 1 55 . 1 . 1 7 7 VAL HG22 H 1 0.93 0.02 . 2 . . . . A -2 VAL HG22 . 34894 1 56 . 1 . 1 7 7 VAL HG23 H 1 0.93 0.02 . 2 . . . . A -2 VAL HG23 . 34894 1 57 . 1 . 1 7 7 VAL C C 13 176.31 0.20 . 1 . . . . A -2 VAL C . 34894 1 58 . 1 . 1 7 7 VAL CA C 13 62.23 0.20 . 1 . . . . A -2 VAL CA . 34894 1 59 . 1 . 1 7 7 VAL CB C 13 32.87 0.20 . 1 . . . . A -2 VAL CB . 34894 1 60 . 1 . 1 7 7 VAL CG1 C 13 20.30 0.20 . 2 . . . . A -2 VAL CG1 . 34894 1 61 . 1 . 1 7 7 VAL CG2 C 13 20.90 0.20 . 2 . . . . A -2 VAL CG2 . 34894 1 62 . 1 . 1 7 7 VAL N N 15 121.81 0.20 . 1 . . . . A -2 VAL N . 34894 1 63 . 1 . 1 8 8 GLY H H 1 8.46 0.02 . 1 . . . . A -1 GLY H . 34894 1 64 . 1 . 1 8 8 GLY HA2 H 1 4.03 0.02 . 2 . . . . A -1 GLY HA2 . 34894 1 65 . 1 . 1 8 8 GLY HA3 H 1 3.93 0.02 . 2 . . . . A -1 GLY HA3 . 34894 1 66 . 1 . 1 8 8 GLY C C 13 173.56 0.20 . 1 . . . . A -1 GLY C . 34894 1 67 . 1 . 1 8 8 GLY CA C 13 45.16 0.20 . 1 . . . . A -1 GLY CA . 34894 1 68 . 1 . 1 8 8 GLY N N 15 112.30 0.20 . 1 . . . . A -1 GLY N . 34894 1 69 . 1 . 1 9 9 SER H H 1 8.26 0.02 . 1 . . . . A 0 SER H . 34894 1 70 . 1 . 1 9 9 SER HA H 1 4.62 0.02 . 1 . . . . A 0 SER HA . 34894 1 71 . 1 . 1 9 9 SER HB2 H 1 3.83 0.02 . 2 . . . . A 0 SER HB2 . 34894 1 72 . 1 . 1 9 9 SER HB3 H 1 3.83 0.02 . 2 . . . . A 0 SER HB3 . 34894 1 73 . 1 . 1 9 9 SER C C 13 174.11 0.20 . 1 . . . . A 0 SER C . 34894 1 74 . 1 . 1 9 9 SER CA C 13 58.01 0.20 . 1 . . . . A 0 SER CA . 34894 1 75 . 1 . 1 9 9 SER CB C 13 63.97 0.20 . 1 . . . . A 0 SER CB . 34894 1 76 . 1 . 1 9 9 SER N N 15 116.56 0.20 . 1 . . . . A 0 SER N . 34894 1 77 . 1 . 1 10 10 VAL H H 1 8.34 0.02 . 1 . . . . A 1 VAL H . 34894 1 78 . 1 . 1 10 10 VAL HA H 1 4.31 0.02 . 1 . . . . A 1 VAL HA . 34894 1 79 . 1 . 1 10 10 VAL HB H 1 2.18 0.02 . 1 . . . . A 1 VAL HB . 34894 1 80 . 1 . 1 10 10 VAL HG11 H 1 0.95 0.02 . 2 . . . . A 1 VAL HG11 . 34894 1 81 . 1 . 1 10 10 VAL HG12 H 1 0.95 0.02 . 2 . . . . A 1 VAL HG12 . 34894 1 82 . 1 . 1 10 10 VAL HG13 H 1 0.95 0.02 . 2 . . . . A 1 VAL HG13 . 34894 1 83 . 1 . 1 10 10 VAL HG21 H 1 0.93 0.02 . 2 . . . . A 1 VAL HG21 . 34894 1 84 . 1 . 1 10 10 VAL HG22 H 1 0.93 0.02 . 2 . . . . A 1 VAL HG22 . 34894 1 85 . 1 . 1 10 10 VAL HG23 H 1 0.93 0.02 . 2 . . . . A 1 VAL HG23 . 34894 1 86 . 1 . 1 10 10 VAL C C 13 174.32 0.20 . 1 . . . . A 1 VAL C . 34894 1 87 . 1 . 1 10 10 VAL CA C 13 61.79 0.20 . 1 . . . . A 1 VAL CA . 34894 1 88 . 1 . 1 10 10 VAL CB C 13 34.11 0.20 . 1 . . . . A 1 VAL CB . 34894 1 89 . 1 . 1 10 10 VAL CG1 C 13 20.65 0.20 . 2 . . . . A 1 VAL CG1 . 34894 1 90 . 1 . 1 10 10 VAL CG2 C 13 21.06 0.20 . 2 . . . . A 1 VAL CG2 . 34894 1 91 . 1 . 1 10 10 VAL N N 15 122.04 0.20 . 1 . . . . A 1 VAL N . 34894 1 92 . 1 . 1 11 11 ARG H H 1 8.61 0.02 . 1 . . . . A 2 ARG H . 34894 1 93 . 1 . 1 11 11 ARG HA H 1 5.05 0.02 . 1 . . . . A 2 ARG HA . 34894 1 94 . 1 . 1 11 11 ARG HB2 H 1 1.68 0.02 . 2 . . . . A 2 ARG HB2 . 34894 1 95 . 1 . 1 11 11 ARG HB3 H 1 1.84 0.02 . 2 . . . . A 2 ARG HB3 . 34894 1 96 . 1 . 1 11 11 ARG HG2 H 1 1.67 0.02 . 2 . . . . A 2 ARG HG2 . 34894 1 97 . 1 . 1 11 11 ARG HG3 H 1 1.67 0.02 . 2 . . . . A 2 ARG HG3 . 34894 1 98 . 1 . 1 11 11 ARG HD2 H 1 3.16 0.02 . 2 . . . . A 2 ARG HD2 . 34894 1 99 . 1 . 1 11 11 ARG HD3 H 1 3.01 0.02 . 2 . . . . A 2 ARG HD3 . 34894 1 100 . 1 . 1 11 11 ARG HE H 1 7.41 0.02 . 1 . . . . A 2 ARG HE . 34894 1 101 . 1 . 1 11 11 ARG C C 13 175.78 0.20 . 1 . . . . A 2 ARG C . 34894 1 102 . 1 . 1 11 11 ARG CA C 13 54.68 0.20 . 1 . . . . A 2 ARG CA . 34894 1 103 . 1 . 1 11 11 ARG CB C 13 31.33 0.20 . 1 . . . . A 2 ARG CB . 34894 1 104 . 1 . 1 11 11 ARG CG C 13 26.57 0.20 . 1 . . . . A 2 ARG CG . 34894 1 105 . 1 . 1 11 11 ARG CD C 13 42.57 0.20 . 1 . . . . A 2 ARG CD . 34894 1 106 . 1 . 1 11 11 ARG N N 15 125.85 0.20 . 1 . . . . A 2 ARG N . 34894 1 107 . 1 . 1 11 11 ARG NE N 15 82.84 0.20 . 1 . . . . A 2 ARG NE . 34894 1 108 . 1 . 1 12 12 VAL H H 1 8.90 0.02 . 1 . . . . A 3 VAL H . 34894 1 109 . 1 . 1 12 12 VAL HA H 1 4.98 0.02 . 1 . . . . A 3 VAL HA . 34894 1 110 . 1 . 1 12 12 VAL HB H 1 1.71 0.02 . 1 . . . . A 3 VAL HB . 34894 1 111 . 1 . 1 12 12 VAL HG11 H 1 0.72 0.02 . 2 . . . . A 3 VAL HG11 . 34894 1 112 . 1 . 1 12 12 VAL HG12 H 1 0.72 0.02 . 2 . . . . A 3 VAL HG12 . 34894 1 113 . 1 . 1 12 12 VAL HG13 H 1 0.72 0.02 . 2 . . . . A 3 VAL HG13 . 34894 1 114 . 1 . 1 12 12 VAL HG21 H 1 0.39 0.02 . 2 . . . . A 3 VAL HG21 . 34894 1 115 . 1 . 1 12 12 VAL HG22 H 1 0.39 0.02 . 2 . . . . A 3 VAL HG22 . 34894 1 116 . 1 . 1 12 12 VAL HG23 H 1 0.39 0.02 . 2 . . . . A 3 VAL HG23 . 34894 1 117 . 1 . 1 12 12 VAL C C 13 172.71 0.20 . 1 . . . . A 3 VAL C . 34894 1 118 . 1 . 1 12 12 VAL CA C 13 58.64 0.20 . 1 . . . . A 3 VAL CA . 34894 1 119 . 1 . 1 12 12 VAL CB C 13 35.83 0.20 . 1 . . . . A 3 VAL CB . 34894 1 120 . 1 . 1 12 12 VAL CG1 C 13 21.65 0.20 . 2 . . . . A 3 VAL CG1 . 34894 1 121 . 1 . 1 12 12 VAL CG2 C 13 18.43 0.20 . 2 . . . . A 3 VAL CG2 . 34894 1 122 . 1 . 1 12 12 VAL N N 15 116.50 0.20 . 1 . . . . A 3 VAL N . 34894 1 123 . 1 . 1 13 13 ARG H H 1 9.03 0.02 . 1 . . . . A 4 ARG H . 34894 1 124 . 1 . 1 13 13 ARG HA H 1 5.07 0.02 . 1 . . . . A 4 ARG HA . 34894 1 125 . 1 . 1 13 13 ARG HB2 H 1 1.65 0.02 . 2 . . . . A 4 ARG HB2 . 34894 1 126 . 1 . 1 13 13 ARG HB3 H 1 1.45 0.02 . 2 . . . . A 4 ARG HB3 . 34894 1 127 . 1 . 1 13 13 ARG HG2 H 1 1.36 0.02 . 2 . . . . A 4 ARG HG2 . 34894 1 128 . 1 . 1 13 13 ARG HG3 H 1 1.36 0.02 . 2 . . . . A 4 ARG HG3 . 34894 1 129 . 1 . 1 13 13 ARG HD2 H 1 3.19 0.02 . 2 . . . . A 4 ARG HD2 . 34894 1 130 . 1 . 1 13 13 ARG HD3 H 1 3.19 0.02 . 2 . . . . A 4 ARG HD3 . 34894 1 131 . 1 . 1 13 13 ARG HE H 1 7.38 0.02 . 1 . . . . A 4 ARG HE . 34894 1 132 . 1 . 1 13 13 ARG C C 13 175.52 0.20 . 1 . . . . A 4 ARG C . 34894 1 133 . 1 . 1 13 13 ARG CA C 13 53.23 0.20 . 1 . . . . A 4 ARG CA . 34894 1 134 . 1 . 1 13 13 ARG CB C 13 33.95 0.20 . 1 . . . . A 4 ARG CB . 34894 1 135 . 1 . 1 13 13 ARG CG C 13 27.14 0.20 . 1 . . . . A 4 ARG CG . 34894 1 136 . 1 . 1 13 13 ARG CD C 13 43.57 0.20 . 1 . . . . A 4 ARG CD . 34894 1 137 . 1 . 1 13 13 ARG N N 15 119.64 0.20 . 1 . . . . A 4 ARG N . 34894 1 138 . 1 . 1 13 13 ARG NE N 15 83.86 0.20 . 1 . . . . A 4 ARG NE . 34894 1 139 . 1 . 1 14 14 ALA H H 1 9.05 0.02 . 1 . . . . A 5 ALA H . 34894 1 140 . 1 . 1 14 14 ALA HA H 1 4.32 0.02 . 1 . . . . A 5 ALA HA . 34894 1 141 . 1 . 1 14 14 ALA HB1 H 1 1.26 0.02 . 1 . . . . A 5 ALA HB1 . 34894 1 142 . 1 . 1 14 14 ALA HB2 H 1 1.26 0.02 . 1 . . . . A 5 ALA HB2 . 34894 1 143 . 1 . 1 14 14 ALA HB3 H 1 1.26 0.02 . 1 . . . . A 5 ALA HB3 . 34894 1 144 . 1 . 1 14 14 ALA C C 13 179.09 0.20 . 1 . . . . A 5 ALA C . 34894 1 145 . 1 . 1 14 14 ALA CA C 13 52.47 0.20 . 1 . . . . A 5 ALA CA . 34894 1 146 . 1 . 1 14 14 ALA CB C 13 20.09 0.20 . 1 . . . . A 5 ALA CB . 34894 1 147 . 1 . 1 14 14 ALA N N 15 127.09 0.20 . 1 . . . . A 5 ALA N . 34894 1 148 . 1 . 1 15 15 LEU H H 1 9.58 0.02 . 1 . . . . A 6 LEU H . 34894 1 149 . 1 . 1 15 15 LEU HA H 1 3.92 0.02 . 1 . . . . A 6 LEU HA . 34894 1 150 . 1 . 1 15 15 LEU HB2 H 1 0.77 0.02 . 2 . . . . A 6 LEU HB2 . 34894 1 151 . 1 . 1 15 15 LEU HB3 H 1 0.40 0.02 . 2 . . . . A 6 LEU HB3 . 34894 1 152 . 1 . 1 15 15 LEU HG H 1 1.20 0.02 . 1 . . . . A 6 LEU HG . 34894 1 153 . 1 . 1 15 15 LEU HD11 H 1 0.62 0.02 . 2 . . . . A 6 LEU HD11 . 34894 1 154 . 1 . 1 15 15 LEU HD12 H 1 0.62 0.02 . 2 . . . . A 6 LEU HD12 . 34894 1 155 . 1 . 1 15 15 LEU HD13 H 1 0.62 0.02 . 2 . . . . A 6 LEU HD13 . 34894 1 156 . 1 . 1 15 15 LEU HD21 H 1 0.59 0.02 . 2 . . . . A 6 LEU HD21 . 34894 1 157 . 1 . 1 15 15 LEU HD22 H 1 0.59 0.02 . 2 . . . . A 6 LEU HD22 . 34894 1 158 . 1 . 1 15 15 LEU HD23 H 1 0.59 0.02 . 2 . . . . A 6 LEU HD23 . 34894 1 159 . 1 . 1 15 15 LEU C C 13 175.66 0.20 . 1 . . . . A 6 LEU C . 34894 1 160 . 1 . 1 15 15 LEU CA C 13 55.58 0.20 . 1 . . . . A 6 LEU CA . 34894 1 161 . 1 . 1 15 15 LEU CB C 13 43.45 0.20 . 1 . . . . A 6 LEU CB . 34894 1 162 . 1 . 1 15 15 LEU CG C 13 27.04 0.20 . 1 . . . . A 6 LEU CG . 34894 1 163 . 1 . 1 15 15 LEU CD1 C 13 25.45 0.20 . 2 . . . . A 6 LEU CD1 . 34894 1 164 . 1 . 1 15 15 LEU CD2 C 13 22.28 0.20 . 2 . . . . A 6 LEU CD2 . 34894 1 165 . 1 . 1 15 15 LEU N N 15 126.13 0.20 . 1 . . . . A 6 LEU N . 34894 1 166 . 1 . 1 16 16 TYR H H 1 7.03 0.02 . 1 . . . . A 7 TYR H . 34894 1 167 . 1 . 1 16 16 TYR HA H 1 4.93 0.02 . 1 . . . . A 7 TYR HA . 34894 1 168 . 1 . 1 16 16 TYR HB2 H 1 3.36 0.02 . 2 . . . . A 7 TYR HB2 . 34894 1 169 . 1 . 1 16 16 TYR HB3 H 1 2.54 0.02 . 2 . . . . A 7 TYR HB3 . 34894 1 170 . 1 . 1 16 16 TYR HD1 H 1 6.63 0.02 . 3 . . . . A 7 TYR HD1 . 34894 1 171 . 1 . 1 16 16 TYR HD2 H 1 6.63 0.02 . 3 . . . . A 7 TYR HD2 . 34894 1 172 . 1 . 1 16 16 TYR HE1 H 1 6.65 0.02 . 3 . . . . A 7 TYR HE1 . 34894 1 173 . 1 . 1 16 16 TYR HE2 H 1 6.65 0.02 . 3 . . . . A 7 TYR HE2 . 34894 1 174 . 1 . 1 16 16 TYR C C 13 173.35 0.20 . 1 . . . . A 7 TYR C . 34894 1 175 . 1 . 1 16 16 TYR CA C 13 53.69 0.20 . 1 . . . . A 7 TYR CA . 34894 1 176 . 1 . 1 16 16 TYR CB C 13 42.37 0.20 . 1 . . . . A 7 TYR CB . 34894 1 177 . 1 . 1 16 16 TYR CD1 C 13 133.69 0.20 . 1 . . . . A 7 TYR CD1 . 34894 1 178 . 1 . 1 16 16 TYR CD2 C 13 133.69 0.20 . 1 . . . . A 7 TYR CD2 . 34894 1 179 . 1 . 1 16 16 TYR CE1 C 13 117.51 0.20 . 1 . . . . A 7 TYR CE1 . 34894 1 180 . 1 . 1 16 16 TYR CE2 C 13 117.51 0.20 . 1 . . . . A 7 TYR CE2 . 34894 1 181 . 1 . 1 16 16 TYR N N 15 113.18 0.20 . 1 . . . . A 7 TYR N . 34894 1 182 . 1 . 1 17 17 ASP H H 1 8.56 0.02 . 1 . . . . A 8 ASP H . 34894 1 183 . 1 . 1 17 17 ASP HA H 1 4.72 0.02 . 1 . . . . A 8 ASP HA . 34894 1 184 . 1 . 1 17 17 ASP HB2 H 1 2.83 0.02 . 2 . . . . A 8 ASP HB2 . 34894 1 185 . 1 . 1 17 17 ASP HB3 H 1 2.69 0.02 . 2 . . . . A 8 ASP HB3 . 34894 1 186 . 1 . 1 17 17 ASP C C 13 175.96 0.20 . 1 . . . . A 8 ASP C . 34894 1 187 . 1 . 1 17 17 ASP CA C 13 54.63 0.20 . 1 . . . . A 8 ASP CA . 34894 1 188 . 1 . 1 17 17 ASP CB C 13 41.40 0.20 . 1 . . . . A 8 ASP CB . 34894 1 189 . 1 . 1 17 17 ASP N N 15 118.64 0.20 . 1 . . . . A 8 ASP N . 34894 1 190 . 1 . 1 18 18 TYR H H 1 8.64 0.02 . 1 . . . . A 9 TYR H . 34894 1 191 . 1 . 1 18 18 TYR HA H 1 4.55 0.02 . 1 . . . . A 9 TYR HA . 34894 1 192 . 1 . 1 18 18 TYR HB2 H 1 2.51 0.02 . 2 . . . . A 9 TYR HB2 . 34894 1 193 . 1 . 1 18 18 TYR HB3 H 1 1.27 0.02 . 2 . . . . A 9 TYR HB3 . 34894 1 194 . 1 . 1 18 18 TYR HD1 H 1 6.78 0.02 . 3 . . . . A 9 TYR HD1 . 34894 1 195 . 1 . 1 18 18 TYR HD2 H 1 6.78 0.02 . 3 . . . . A 9 TYR HD2 . 34894 1 196 . 1 . 1 18 18 TYR HE1 H 1 6.87 0.02 . 3 . . . . A 9 TYR HE1 . 34894 1 197 . 1 . 1 18 18 TYR HE2 H 1 6.87 0.02 . 3 . . . . A 9 TYR HE2 . 34894 1 198 . 1 . 1 18 18 TYR C C 13 173.35 0.20 . 1 . . . . A 9 TYR C . 34894 1 199 . 1 . 1 18 18 TYR CA C 13 59.17 0.20 . 1 . . . . A 9 TYR CA . 34894 1 200 . 1 . 1 18 18 TYR CB C 13 42.28 0.20 . 1 . . . . A 9 TYR CB . 34894 1 201 . 1 . 1 18 18 TYR CD1 C 13 132.90 0.20 . 1 . . . . A 9 TYR CD1 . 34894 1 202 . 1 . 1 18 18 TYR CD2 C 13 132.90 0.20 . 1 . . . . A 9 TYR CD2 . 34894 1 203 . 1 . 1 18 18 TYR CE1 C 13 117.71 0.20 . 1 . . . . A 9 TYR CE1 . 34894 1 204 . 1 . 1 18 18 TYR CE2 C 13 117.71 0.20 . 1 . . . . A 9 TYR CE2 . 34894 1 205 . 1 . 1 18 18 TYR N N 15 120.40 0.20 . 1 . . . . A 9 TYR N . 34894 1 206 . 1 . 1 19 19 GLU H H 1 7.35 0.02 . 1 . . . . A 10 GLU H . 34894 1 207 . 1 . 1 19 19 GLU HA H 1 4.31 0.02 . 1 . . . . A 10 GLU HA . 34894 1 208 . 1 . 1 19 19 GLU HB2 H 1 1.66 0.02 . 2 . . . . A 10 GLU HB2 . 34894 1 209 . 1 . 1 19 19 GLU HB3 H 1 1.60 0.02 . 2 . . . . A 10 GLU HB3 . 34894 1 210 . 1 . 1 19 19 GLU HG2 H 1 2.06 0.02 . 2 . . . . A 10 GLU HG2 . 34894 1 211 . 1 . 1 19 19 GLU HG3 H 1 2.02 0.02 . 2 . . . . A 10 GLU HG3 . 34894 1 212 . 1 . 1 19 19 GLU C C 13 174.42 0.20 . 1 . . . . A 10 GLU C . 34894 1 213 . 1 . 1 19 19 GLU CA C 13 53.62 0.20 . 1 . . . . A 10 GLU CA . 34894 1 214 . 1 . 1 19 19 GLU CB C 13 30.23 0.20 . 1 . . . . A 10 GLU CB . 34894 1 215 . 1 . 1 19 19 GLU CG C 13 35.84 0.20 . 1 . . . . A 10 GLU CG . 34894 1 216 . 1 . 1 19 19 GLU N N 15 128.03 0.20 . 1 . . . . A 10 GLU N . 34894 1 217 . 1 . 1 20 20 GLY H H 1 8.49 0.02 . 1 . . . . A 11 GLY H . 34894 1 218 . 1 . 1 20 20 GLY HA2 H 1 4.02 0.02 . 2 . . . . A 11 GLY HA2 . 34894 1 219 . 1 . 1 20 20 GLY HA3 H 1 3.39 0.02 . 2 . . . . A 11 GLY HA3 . 34894 1 220 . 1 . 1 20 20 GLY C C 13 174.68 0.20 . 1 . . . . A 11 GLY C . 34894 1 221 . 1 . 1 20 20 GLY CA C 13 46.92 0.20 . 1 . . . . A 11 GLY CA . 34894 1 222 . 1 . 1 20 20 GLY N N 15 114.62 0.20 . 1 . . . . A 11 GLY N . 34894 1 223 . 1 . 1 21 21 GLN H H 1 8.95 0.02 . 1 . . . . A 12 GLN H . 34894 1 224 . 1 . 1 21 21 GLN HA H 1 4.26 0.02 . 1 . . . . A 12 GLN HA . 34894 1 225 . 1 . 1 21 21 GLN HB2 H 1 2.27 0.02 . 2 . . . . A 12 GLN HB2 . 34894 1 226 . 1 . 1 21 21 GLN HB3 H 1 2.16 0.02 . 2 . . . . A 12 GLN HB3 . 34894 1 227 . 1 . 1 21 21 GLN HG2 H 1 2.49 0.02 . 2 . . . . A 12 GLN HG2 . 34894 1 228 . 1 . 1 21 21 GLN HG3 H 1 2.42 0.02 . 2 . . . . A 12 GLN HG3 . 34894 1 229 . 1 . 1 21 21 GLN C C 13 175.56 0.20 . 1 . . . . A 12 GLN C . 34894 1 230 . 1 . 1 21 21 GLN CA C 13 55.76 0.20 . 1 . . . . A 12 GLN CA . 34894 1 231 . 1 . 1 21 21 GLN CB C 13 30.91 0.20 . 1 . . . . A 12 GLN CB . 34894 1 232 . 1 . 1 21 21 GLN CG C 13 34.11 0.20 . 1 . . . . A 12 GLN CG . 34894 1 233 . 1 . 1 21 21 GLN N N 15 123.14 0.20 . 1 . . . . A 12 GLN N . 34894 1 234 . 1 . 1 22 22 GLU H H 1 7.26 0.02 . 1 . . . . A 13 GLU H . 34894 1 235 . 1 . 1 22 22 GLU HA H 1 4.56 0.02 . 1 . . . . A 13 GLU HA . 34894 1 236 . 1 . 1 22 22 GLU HB2 H 1 2.18 0.02 . 2 . . . . A 13 GLU HB2 . 34894 1 237 . 1 . 1 22 22 GLU HB3 H 1 1.68 0.02 . 2 . . . . A 13 GLU HB3 . 34894 1 238 . 1 . 1 22 22 GLU HG2 H 1 2.28 0.02 . 2 . . . . A 13 GLU HG2 . 34894 1 239 . 1 . 1 22 22 GLU HG3 H 1 2.16 0.02 . 2 . . . . A 13 GLU HG3 . 34894 1 240 . 1 . 1 22 22 GLU C C 13 177.70 0.20 . 1 . . . . A 13 GLU C . 34894 1 241 . 1 . 1 22 22 GLU CA C 13 54.10 0.20 . 1 . . . . A 13 GLU CA . 34894 1 242 . 1 . 1 22 22 GLU CB C 13 32.55 0.20 . 1 . . . . A 13 GLU CB . 34894 1 243 . 1 . 1 22 22 GLU CG C 13 35.51 0.20 . 1 . . . . A 13 GLU CG . 34894 1 244 . 1 . 1 22 22 GLU N N 15 115.91 0.20 . 1 . . . . A 13 GLU N . 34894 1 245 . 1 . 1 23 23 GLN H H 1 9.08 0.02 . 1 . . . . A 14 GLN H . 34894 1 246 . 1 . 1 23 23 GLN HA H 1 4.05 0.02 . 1 . . . . A 14 GLN HA . 34894 1 247 . 1 . 1 23 23 GLN HB2 H 1 2.09 0.02 . 2 . . . . A 14 GLN HB2 . 34894 1 248 . 1 . 1 23 23 GLN HB3 H 1 2.09 0.02 . 2 . . . . A 14 GLN HB3 . 34894 1 249 . 1 . 1 23 23 GLN HG2 H 1 2.41 0.02 . 2 . . . . A 14 GLN HG2 . 34894 1 250 . 1 . 1 23 23 GLN HG3 H 1 2.41 0.02 . 2 . . . . A 14 GLN HG3 . 34894 1 251 . 1 . 1 23 23 GLN C C 13 175.79 0.20 . 1 . . . . A 14 GLN C . 34894 1 252 . 1 . 1 23 23 GLN CA C 13 58.51 0.20 . 1 . . . . A 14 GLN CA . 34894 1 253 . 1 . 1 23 23 GLN CB C 13 28.74 0.20 . 1 . . . . A 14 GLN CB . 34894 1 254 . 1 . 1 23 23 GLN CG C 13 33.61 0.20 . 1 . . . . A 14 GLN CG . 34894 1 255 . 1 . 1 23 23 GLN N N 15 120.54 0.20 . 1 . . . . A 14 GLN N . 34894 1 256 . 1 . 1 24 24 ASP H H 1 8.33 0.02 . 1 . . . . A 15 ASP H . 34894 1 257 . 1 . 1 24 24 ASP HA H 1 4.68 0.02 . 1 . . . . A 15 ASP HA . 34894 1 258 . 1 . 1 24 24 ASP HB2 H 1 2.86 0.02 . 2 . . . . A 15 ASP HB2 . 34894 1 259 . 1 . 1 24 24 ASP HB3 H 1 2.71 0.02 . 2 . . . . A 15 ASP HB3 . 34894 1 260 . 1 . 1 24 24 ASP C C 13 175.65 0.20 . 1 . . . . A 15 ASP C . 34894 1 261 . 1 . 1 24 24 ASP CA C 13 54.05 0.20 . 1 . . . . A 15 ASP CA . 34894 1 262 . 1 . 1 24 24 ASP CB C 13 39.84 0.20 . 1 . . . . A 15 ASP CB . 34894 1 263 . 1 . 1 24 24 ASP N N 15 115.44 0.20 . 1 . . . . A 15 ASP N . 34894 1 264 . 1 . 1 25 25 GLU H H 1 7.59 0.02 . 1 . . . . A 16 GLU H . 34894 1 265 . 1 . 1 25 25 GLU HA H 1 4.86 0.02 . 1 . . . . A 16 GLU HA . 34894 1 266 . 1 . 1 25 25 GLU HB2 H 1 2.63 0.02 . 2 . . . . A 16 GLU HB2 . 34894 1 267 . 1 . 1 25 25 GLU HB3 H 1 2.05 0.02 . 2 . . . . A 16 GLU HB3 . 34894 1 268 . 1 . 1 25 25 GLU HG2 H 1 2.06 0.02 . 2 . . . . A 16 GLU HG2 . 34894 1 269 . 1 . 1 25 25 GLU HG3 H 1 2.06 0.02 . 2 . . . . A 16 GLU HG3 . 34894 1 270 . 1 . 1 25 25 GLU C C 13 177.22 0.20 . 1 . . . . A 16 GLU C . 34894 1 271 . 1 . 1 25 25 GLU CA C 13 55.86 0.20 . 1 . . . . A 16 GLU CA . 34894 1 272 . 1 . 1 25 25 GLU CB C 13 32.63 0.20 . 1 . . . . A 16 GLU CB . 34894 1 273 . 1 . 1 25 25 GLU CG C 13 36.93 0.20 . 1 . . . . A 16 GLU CG . 34894 1 274 . 1 . 1 25 25 GLU N N 15 118.27 0.20 . 1 . . . . A 16 GLU N . 34894 1 275 . 1 . 1 26 26 LEU H H 1 9.05 0.02 . 1 . . . . A 17 LEU H . 34894 1 276 . 1 . 1 26 26 LEU HA H 1 4.44 0.02 . 1 . . . . A 17 LEU HA . 34894 1 277 . 1 . 1 26 26 LEU HB2 H 1 1.81 0.02 . 2 . . . . A 17 LEU HB2 . 34894 1 278 . 1 . 1 26 26 LEU HB3 H 1 1.57 0.02 . 2 . . . . A 17 LEU HB3 . 34894 1 279 . 1 . 1 26 26 LEU HG H 1 1.53 0.02 . 1 . . . . A 17 LEU HG . 34894 1 280 . 1 . 1 26 26 LEU HD11 H 1 0.82 0.02 . 2 . . . . A 17 LEU HD11 . 34894 1 281 . 1 . 1 26 26 LEU HD12 H 1 0.82 0.02 . 2 . . . . A 17 LEU HD12 . 34894 1 282 . 1 . 1 26 26 LEU HD13 H 1 0.82 0.02 . 2 . . . . A 17 LEU HD13 . 34894 1 283 . 1 . 1 26 26 LEU HD21 H 1 0.82 0.02 . 2 . . . . A 17 LEU HD21 . 34894 1 284 . 1 . 1 26 26 LEU HD22 H 1 0.82 0.02 . 2 . . . . A 17 LEU HD22 . 34894 1 285 . 1 . 1 26 26 LEU HD23 H 1 0.82 0.02 . 2 . . . . A 17 LEU HD23 . 34894 1 286 . 1 . 1 26 26 LEU C C 13 174.58 0.20 . 1 . . . . A 17 LEU C . 34894 1 287 . 1 . 1 26 26 LEU CA C 13 54.49 0.20 . 1 . . . . A 17 LEU CA . 34894 1 288 . 1 . 1 26 26 LEU CB C 13 45.07 0.20 . 1 . . . . A 17 LEU CB . 34894 1 289 . 1 . 1 26 26 LEU CG C 13 26.78 0.20 . 1 . . . . A 17 LEU CG . 34894 1 290 . 1 . 1 26 26 LEU CD1 C 13 25.31 0.20 . 2 . . . . A 17 LEU CD1 . 34894 1 291 . 1 . 1 26 26 LEU CD2 C 13 21.85 0.20 . 2 . . . . A 17 LEU CD2 . 34894 1 292 . 1 . 1 26 26 LEU N N 15 122.58 0.20 . 1 . . . . A 17 LEU N . 34894 1 293 . 1 . 1 27 27 SER H H 1 7.17 0.02 . 1 . . . . A 18 SER H . 34894 1 294 . 1 . 1 27 27 SER HA H 1 5.02 0.02 . 1 . . . . A 18 SER HA . 34894 1 295 . 1 . 1 27 27 SER HB2 H 1 4.01 0.02 . 2 . . . . A 18 SER HB2 . 34894 1 296 . 1 . 1 27 27 SER HB3 H 1 3.65 0.02 . 2 . . . . A 18 SER HB3 . 34894 1 297 . 1 . 1 27 27 SER C C 13 173.25 0.20 . 1 . . . . A 18 SER C . 34894 1 298 . 1 . 1 27 27 SER CA C 13 57.38 0.20 . 1 . . . . A 18 SER CA . 34894 1 299 . 1 . 1 27 27 SER CB C 13 66.03 0.20 . 1 . . . . A 18 SER CB . 34894 1 300 . 1 . 1 27 27 SER N N 15 108.96 0.20 . 1 . . . . A 18 SER N . 34894 1 301 . 1 . 1 28 28 PHE H H 1 8.82 0.02 . 1 . . . . A 19 PHE H . 34894 1 302 . 1 . 1 28 28 PHE HA H 1 4.86 0.02 . 1 . . . . A 19 PHE HA . 34894 1 303 . 1 . 1 28 28 PHE HB2 H 1 3.42 0.02 . 2 . . . . A 19 PHE HB2 . 34894 1 304 . 1 . 1 28 28 PHE HB3 H 1 3.42 0.02 . 2 . . . . A 19 PHE HB3 . 34894 1 305 . 1 . 1 28 28 PHE HD1 H 1 6.83 0.02 . 3 . . . . A 19 PHE HD1 . 34894 1 306 . 1 . 1 28 28 PHE HD2 H 1 6.83 0.02 . 3 . . . . A 19 PHE HD2 . 34894 1 307 . 1 . 1 28 28 PHE HE1 H 1 7.27 0.02 . 3 . . . . A 19 PHE HE1 . 34894 1 308 . 1 . 1 28 28 PHE HE2 H 1 7.27 0.02 . 3 . . . . A 19 PHE HE2 . 34894 1 309 . 1 . 1 28 28 PHE HZ H 1 6.75 0.02 . 1 . . . . A 19 PHE HZ . 34894 1 310 . 1 . 1 28 28 PHE C C 13 174.13 0.20 . 1 . . . . A 19 PHE C . 34894 1 311 . 1 . 1 28 28 PHE CA C 13 56.07 0.20 . 1 . . . . A 19 PHE CA . 34894 1 312 . 1 . 1 28 28 PHE CB C 13 39.59 0.20 . 1 . . . . A 19 PHE CB . 34894 1 313 . 1 . 1 28 28 PHE CD1 C 13 132.23 0.20 . 1 . . . . A 19 PHE CD1 . 34894 1 314 . 1 . 1 28 28 PHE CD2 C 13 132.23 0.20 . 1 . . . . A 19 PHE CD2 . 34894 1 315 . 1 . 1 28 28 PHE CE1 C 13 131.20 0.20 . 1 . . . . A 19 PHE CE1 . 34894 1 316 . 1 . 1 28 28 PHE CE2 C 13 131.20 0.20 . 1 . . . . A 19 PHE CE2 . 34894 1 317 . 1 . 1 28 28 PHE CZ C 13 127.81 0.20 . 1 . . . . A 19 PHE CZ . 34894 1 318 . 1 . 1 28 28 PHE N N 15 117.01 0.20 . 1 . . . . A 19 PHE N . 34894 1 319 . 1 . 1 29 29 LYS H H 1 9.17 0.02 . 1 . . . . A 20 LYS H . 34894 1 320 . 1 . 1 29 29 LYS HA H 1 5.00 0.02 . 1 . . . . A 20 LYS HA . 34894 1 321 . 1 . 1 29 29 LYS HB2 H 1 1.80 0.02 . 2 . . . . A 20 LYS HB2 . 34894 1 322 . 1 . 1 29 29 LYS HB3 H 1 1.80 0.02 . 2 . . . . A 20 LYS HB3 . 34894 1 323 . 1 . 1 29 29 LYS HG2 H 1 1.48 0.02 . 2 . . . . A 20 LYS HG2 . 34894 1 324 . 1 . 1 29 29 LYS HG3 H 1 1.48 0.02 . 2 . . . . A 20 LYS HG3 . 34894 1 325 . 1 . 1 29 29 LYS HD2 H 1 1.69 0.02 . 2 . . . . A 20 LYS HD2 . 34894 1 326 . 1 . 1 29 29 LYS HD3 H 1 1.63 0.02 . 2 . . . . A 20 LYS HD3 . 34894 1 327 . 1 . 1 29 29 LYS HE2 H 1 3.04 0.02 . 2 . . . . A 20 LYS HE2 . 34894 1 328 . 1 . 1 29 29 LYS HE3 H 1 2.98 0.02 . 2 . . . . A 20 LYS HE3 . 34894 1 329 . 1 . 1 29 29 LYS C C 13 176.01 0.20 . 1 . . . . A 20 LYS C . 34894 1 330 . 1 . 1 29 29 LYS CA C 13 53.06 0.20 . 1 . . . . A 20 LYS CA . 34894 1 331 . 1 . 1 29 29 LYS CB C 13 34.70 0.20 . 1 . . . . A 20 LYS CB . 34894 1 332 . 1 . 1 29 29 LYS CG C 13 24.49 0.20 . 1 . . . . A 20 LYS CG . 34894 1 333 . 1 . 1 29 29 LYS CD C 13 28.40 0.20 . 1 . . . . A 20 LYS CD . 34894 1 334 . 1 . 1 29 29 LYS CE C 13 42.37 0.20 . 1 . . . . A 20 LYS CE . 34894 1 335 . 1 . 1 29 29 LYS N N 15 121.04 0.20 . 1 . . . . A 20 LYS N . 34894 1 336 . 1 . 1 30 30 ALA H H 1 9.34 0.02 . 1 . . . . A 21 ALA H . 34894 1 337 . 1 . 1 30 30 ALA HA H 1 3.40 0.02 . 1 . . . . A 21 ALA HA . 34894 1 338 . 1 . 1 30 30 ALA HB1 H 1 1.19 0.02 . 1 . . . . A 21 ALA HB1 . 34894 1 339 . 1 . 1 30 30 ALA HB2 H 1 1.19 0.02 . 1 . . . . A 21 ALA HB2 . 34894 1 340 . 1 . 1 30 30 ALA HB3 H 1 1.19 0.02 . 1 . . . . A 21 ALA HB3 . 34894 1 341 . 1 . 1 30 30 ALA C C 13 178.35 0.20 . 1 . . . . A 21 ALA C . 34894 1 342 . 1 . 1 30 30 ALA CA C 13 53.88 0.20 . 1 . . . . A 21 ALA CA . 34894 1 343 . 1 . 1 30 30 ALA CB C 13 17.98 0.20 . 1 . . . . A 21 ALA CB . 34894 1 344 . 1 . 1 30 30 ALA N N 15 123.06 0.20 . 1 . . . . A 21 ALA N . 34894 1 345 . 1 . 1 31 31 GLY H H 1 8.89 0.02 . 1 . . . . A 22 GLY H . 34894 1 346 . 1 . 1 31 31 GLY HA2 H 1 4.47 0.02 . 2 . . . . A 22 GLY HA2 . 34894 1 347 . 1 . 1 31 31 GLY HA3 H 1 3.38 0.02 . 2 . . . . A 22 GLY HA3 . 34894 1 348 . 1 . 1 31 31 GLY C C 13 174.36 0.20 . 1 . . . . A 22 GLY C . 34894 1 349 . 1 . 1 31 31 GLY CA C 13 44.97 0.20 . 1 . . . . A 22 GLY CA . 34894 1 350 . 1 . 1 31 31 GLY N N 15 112.65 0.20 . 1 . . . . A 22 GLY N . 34894 1 351 . 1 . 1 32 32 ASP H H 1 8.53 0.02 . 1 . . . . A 23 ASP H . 34894 1 352 . 1 . 1 32 32 ASP HA H 1 4.51 0.02 . 1 . . . . A 23 ASP HA . 34894 1 353 . 1 . 1 32 32 ASP HB2 H 1 2.87 0.02 . 2 . . . . A 23 ASP HB2 . 34894 1 354 . 1 . 1 32 32 ASP HB3 H 1 2.48 0.02 . 2 . . . . A 23 ASP HB3 . 34894 1 355 . 1 . 1 32 32 ASP C C 13 174.70 0.20 . 1 . . . . A 23 ASP C . 34894 1 356 . 1 . 1 32 32 ASP CA C 13 55.55 0.20 . 1 . . . . A 23 ASP CA . 34894 1 357 . 1 . 1 32 32 ASP CB C 13 41.07 0.20 . 1 . . . . A 23 ASP CB . 34894 1 358 . 1 . 1 32 32 ASP N N 15 122.92 0.20 . 1 . . . . A 23 ASP N . 34894 1 359 . 1 . 1 33 33 GLU H H 1 8.37 0.02 . 1 . . . . A 24 GLU H . 34894 1 360 . 1 . 1 33 33 GLU HA H 1 5.18 0.02 . 1 . . . . A 24 GLU HA . 34894 1 361 . 1 . 1 33 33 GLU HB2 H 1 1.85 0.02 . 2 . . . . A 24 GLU HB2 . 34894 1 362 . 1 . 1 33 33 GLU HB3 H 1 1.85 0.02 . 2 . . . . A 24 GLU HB3 . 34894 1 363 . 1 . 1 33 33 GLU HG2 H 1 2.43 0.02 . 2 . . . . A 24 GLU HG2 . 34894 1 364 . 1 . 1 33 33 GLU HG3 H 1 1.99 0.02 . 2 . . . . A 24 GLU HG3 . 34894 1 365 . 1 . 1 33 33 GLU C C 13 174.95 0.20 . 1 . . . . A 24 GLU C . 34894 1 366 . 1 . 1 33 33 GLU CA C 13 54.45 0.20 . 1 . . . . A 24 GLU CA . 34894 1 367 . 1 . 1 33 33 GLU CB C 13 31.55 0.20 . 1 . . . . A 24 GLU CB . 34894 1 368 . 1 . 1 33 33 GLU CG C 13 36.99 0.20 . 1 . . . . A 24 GLU CG . 34894 1 369 . 1 . 1 33 33 GLU N N 15 118.85 0.20 . 1 . . . . A 24 GLU N . 34894 1 370 . 1 . 1 34 34 LEU H H 1 8.74 0.02 . 1 . . . . A 25 LEU H . 34894 1 371 . 1 . 1 34 34 LEU HA H 1 4.66 0.02 . 1 . . . . A 25 LEU HA . 34894 1 372 . 1 . 1 34 34 LEU HB2 H 1 1.46 0.02 . 2 . . . . A 25 LEU HB2 . 34894 1 373 . 1 . 1 34 34 LEU HB3 H 1 1.31 0.02 . 2 . . . . A 25 LEU HB3 . 34894 1 374 . 1 . 1 34 34 LEU HG H 1 0.97 0.02 . 1 . . . . A 25 LEU HG . 34894 1 375 . 1 . 1 34 34 LEU HD11 H 1 -0.11 0.02 . 1 . . . . A 25 LEU HD11 . 34894 1 376 . 1 . 1 34 34 LEU HD12 H 1 -0.11 0.02 . 1 . . . . A 25 LEU HD12 . 34894 1 377 . 1 . 1 34 34 LEU HD13 H 1 -0.11 0.02 . 1 . . . . A 25 LEU HD13 . 34894 1 378 . 1 . 1 34 34 LEU HD21 H 1 -0.15 0.02 . 1 . . . . A 25 LEU HD21 . 34894 1 379 . 1 . 1 34 34 LEU HD22 H 1 -0.15 0.02 . 1 . . . . A 25 LEU HD22 . 34894 1 380 . 1 . 1 34 34 LEU HD23 H 1 -0.15 0.02 . 1 . . . . A 25 LEU HD23 . 34894 1 381 . 1 . 1 34 34 LEU C C 13 174.64 0.20 . 1 . . . . A 25 LEU C . 34894 1 382 . 1 . 1 34 34 LEU CA C 13 55.21 0.20 . 1 . . . . A 25 LEU CA . 34894 1 383 . 1 . 1 34 34 LEU CB C 13 43.41 0.20 . 1 . . . . A 25 LEU CB . 34894 1 384 . 1 . 1 34 34 LEU CG C 13 26.70 0.20 . 1 . . . . A 25 LEU CG . 34894 1 385 . 1 . 1 34 34 LEU CD1 C 13 26.07 0.20 . 2 . . . . A 25 LEU CD1 . 34894 1 386 . 1 . 1 34 34 LEU CD2 C 13 26.09 0.20 . 2 . . . . A 25 LEU CD2 . 34894 1 387 . 1 . 1 34 34 LEU N N 15 117.70 0.20 . 1 . . . . A 25 LEU N . 34894 1 388 . 1 . 1 35 35 THR H H 1 8.27 0.02 . 1 . . . . A 26 THR H . 34894 1 389 . 1 . 1 35 35 THR HA H 1 4.79 0.02 . 1 . . . . A 26 THR HA . 34894 1 390 . 1 . 1 35 35 THR HB H 1 3.98 0.02 . 1 . . . . A 26 THR HB . 34894 1 391 . 1 . 1 35 35 THR HG21 H 1 1.11 0.02 . 1 . . . . A 26 THR HG21 . 34894 1 392 . 1 . 1 35 35 THR HG22 H 1 1.11 0.02 . 1 . . . . A 26 THR HG22 . 34894 1 393 . 1 . 1 35 35 THR HG23 H 1 1.11 0.02 . 1 . . . . A 26 THR HG23 . 34894 1 394 . 1 . 1 35 35 THR C C 13 173.81 0.20 . 1 . . . . A 26 THR C . 34894 1 395 . 1 . 1 35 35 THR CA C 13 62.35 0.20 . 1 . . . . A 26 THR CA . 34894 1 396 . 1 . 1 35 35 THR CB C 13 70.38 0.20 . 1 . . . . A 26 THR CB . 34894 1 397 . 1 . 1 35 35 THR CG2 C 13 21.84 0.20 . 1 . . . . A 26 THR CG2 . 34894 1 398 . 1 . 1 35 35 THR N N 15 115.47 0.20 . 1 . . . . A 26 THR N . 34894 1 399 . 1 . 1 36 36 LYS H H 1 9.30 0.02 . 1 . . . . A 27 LYS H . 34894 1 400 . 1 . 1 36 36 LYS HA H 1 4.46 0.02 . 1 . . . . A 27 LYS HA . 34894 1 401 . 1 . 1 36 36 LYS HB2 H 1 1.88 0.02 . 2 . . . . A 27 LYS HB2 . 34894 1 402 . 1 . 1 36 36 LYS HB3 H 1 1.76 0.02 . 2 . . . . A 27 LYS HB3 . 34894 1 403 . 1 . 1 36 36 LYS HG2 H 1 1.75 0.02 . 2 . . . . A 27 LYS HG2 . 34894 1 404 . 1 . 1 36 36 LYS HG3 H 1 1.17 0.02 . 2 . . . . A 27 LYS HG3 . 34894 1 405 . 1 . 1 36 36 LYS HD2 H 1 1.73 0.02 . 2 . . . . A 27 LYS HD2 . 34894 1 406 . 1 . 1 36 36 LYS HD3 H 1 1.55 0.02 . 2 . . . . A 27 LYS HD3 . 34894 1 407 . 1 . 1 36 36 LYS HE2 H 1 2.99 0.02 . 2 . . . . A 27 LYS HE2 . 34894 1 408 . 1 . 1 36 36 LYS HE3 H 1 2.99 0.02 . 2 . . . . A 27 LYS HE3 . 34894 1 409 . 1 . 1 36 36 LYS C C 13 175.75 0.20 . 1 . . . . A 27 LYS C . 34894 1 410 . 1 . 1 36 36 LYS CA C 13 57.54 0.20 . 1 . . . . A 27 LYS CA . 34894 1 411 . 1 . 1 36 36 LYS CB C 13 33.85 0.20 . 1 . . . . A 27 LYS CB . 34894 1 412 . 1 . 1 36 36 LYS CG C 13 25.17 0.20 . 1 . . . . A 27 LYS CG . 34894 1 413 . 1 . 1 36 36 LYS CD C 13 30.30 0.20 . 1 . . . . A 27 LYS CD . 34894 1 414 . 1 . 1 36 36 LYS CE C 13 42.41 0.20 . 1 . . . . A 27 LYS CE . 34894 1 415 . 1 . 1 36 36 LYS N N 15 130.00 0.20 . 1 . . . . A 27 LYS N . 34894 1 416 . 1 . 1 37 37 MET H H 1 9.30 0.02 . 1 . . . . A 28 MET H . 34894 1 417 . 1 . 1 37 37 MET HA H 1 4.62 0.02 . 1 . . . . A 28 MET HA . 34894 1 418 . 1 . 1 37 37 MET HB2 H 1 2.36 0.02 . 2 . . . . A 28 MET HB2 . 34894 1 419 . 1 . 1 37 37 MET HB3 H 1 1.56 0.02 . 2 . . . . A 28 MET HB3 . 34894 1 420 . 1 . 1 37 37 MET HG2 H 1 2.49 0.02 . 2 . . . . A 28 MET HG2 . 34894 1 421 . 1 . 1 37 37 MET HG3 H 1 2.37 0.02 . 2 . . . . A 28 MET HG3 . 34894 1 422 . 1 . 1 37 37 MET HE1 H 1 2.09 0.02 . 1 . . . . A 28 MET HE1 . 34894 1 423 . 1 . 1 37 37 MET HE2 H 1 2.09 0.02 . 1 . . . . A 28 MET HE2 . 34894 1 424 . 1 . 1 37 37 MET HE3 H 1 2.09 0.02 . 1 . . . . A 28 MET HE3 . 34894 1 425 . 1 . 1 37 37 MET C C 13 176.09 0.20 . 1 . . . . A 28 MET C . 34894 1 426 . 1 . 1 37 37 MET CA C 13 56.41 0.20 . 1 . . . . A 28 MET CA . 34894 1 427 . 1 . 1 37 37 MET CB C 13 35.66 0.20 . 1 . . . . A 28 MET CB . 34894 1 428 . 1 . 1 37 37 MET CG C 13 31.47 0.20 . 1 . . . . A 28 MET CG . 34894 1 429 . 1 . 1 37 37 MET CE C 13 16.42 0.20 . 1 . . . . A 28 MET CE . 34894 1 430 . 1 . 1 37 37 MET N N 15 125.32 0.20 . 1 . . . . A 28 MET N . 34894 1 431 . 1 . 1 38 38 GLU H H 1 7.81 0.02 . 1 . . . . A 29 GLU H . 34894 1 432 . 1 . 1 38 38 GLU HA H 1 4.65 0.02 . 1 . . . . A 29 GLU HA . 34894 1 433 . 1 . 1 38 38 GLU HB2 H 1 2.17 0.02 . 2 . . . . A 29 GLU HB2 . 34894 1 434 . 1 . 1 38 38 GLU HB3 H 1 1.81 0.02 . 2 . . . . A 29 GLU HB3 . 34894 1 435 . 1 . 1 38 38 GLU HG2 H 1 2.30 0.02 . 2 . . . . A 29 GLU HG2 . 34894 1 436 . 1 . 1 38 38 GLU HG3 H 1 2.24 0.02 . 2 . . . . A 29 GLU HG3 . 34894 1 437 . 1 . 1 38 38 GLU C C 13 174.84 0.20 . 1 . . . . A 29 GLU C . 34894 1 438 . 1 . 1 38 38 GLU CA C 13 55.02 0.20 . 1 . . . . A 29 GLU CA . 34894 1 439 . 1 . 1 38 38 GLU CB C 13 33.88 0.20 . 1 . . . . A 29 GLU CB . 34894 1 440 . 1 . 1 38 38 GLU CG C 13 36.23 0.20 . 1 . . . . A 29 GLU CG . 34894 1 441 . 1 . 1 38 38 GLU N N 15 116.68 0.20 . 1 . . . . A 29 GLU N . 34894 1 442 . 1 . 1 39 39 ASN H H 1 8.52 0.02 . 1 . . . . A 30 ASN H . 34894 1 443 . 1 . 1 39 39 ASN HA H 1 4.57 0.02 . 1 . . . . A 30 ASN HA . 34894 1 444 . 1 . 1 39 39 ASN HB2 H 1 2.92 0.02 . 2 . . . . A 30 ASN HB2 . 34894 1 445 . 1 . 1 39 39 ASN HB3 H 1 2.74 0.02 . 2 . . . . A 30 ASN HB3 . 34894 1 446 . 1 . 1 39 39 ASN C C 13 174.27 0.20 . 1 . . . . A 30 ASN C . 34894 1 447 . 1 . 1 39 39 ASN CA C 13 53.16 0.20 . 1 . . . . A 30 ASN CA . 34894 1 448 . 1 . 1 39 39 ASN CB C 13 39.68 0.20 . 1 . . . . A 30 ASN CB . 34894 1 449 . 1 . 1 39 39 ASN N N 15 118.00 0.20 . 1 . . . . A 30 ASN N . 34894 1 450 . 1 . 1 40 40 GLU H H 1 8.71 0.02 . 1 . . . . A 31 GLU H . 34894 1 451 . 1 . 1 40 40 GLU HA H 1 4.27 0.02 . 1 . . . . A 31 GLU HA . 34894 1 452 . 1 . 1 40 40 GLU HB2 H 1 1.93 0.02 . 2 . . . . A 31 GLU HB2 . 34894 1 453 . 1 . 1 40 40 GLU HB3 H 1 1.78 0.02 . 2 . . . . A 31 GLU HB3 . 34894 1 454 . 1 . 1 40 40 GLU HG2 H 1 2.45 0.02 . 2 . . . . A 31 GLU HG2 . 34894 1 455 . 1 . 1 40 40 GLU HG3 H 1 2.06 0.02 . 2 . . . . A 31 GLU HG3 . 34894 1 456 . 1 . 1 40 40 GLU C C 13 176.38 0.20 . 1 . . . . A 31 GLU C . 34894 1 457 . 1 . 1 40 40 GLU CA C 13 56.61 0.20 . 1 . . . . A 31 GLU CA . 34894 1 458 . 1 . 1 40 40 GLU CB C 13 30.60 0.20 . 1 . . . . A 31 GLU CB . 34894 1 459 . 1 . 1 40 40 GLU CG C 13 35.63 0.20 . 1 . . . . A 31 GLU CG . 34894 1 460 . 1 . 1 40 40 GLU N N 15 120.27 0.20 . 1 . . . . A 31 GLU N . 34894 1 461 . 1 . 1 41 41 ASP H H 1 8.55 0.02 . 1 . . . . A 32 ASP H . 34894 1 462 . 1 . 1 41 41 ASP HA H 1 4.72 0.02 . 1 . . . . A 32 ASP HA . 34894 1 463 . 1 . 1 41 41 ASP HB2 H 1 3.23 0.02 . 2 . . . . A 32 ASP HB2 . 34894 1 464 . 1 . 1 41 41 ASP HB3 H 1 2.81 0.02 . 2 . . . . A 32 ASP HB3 . 34894 1 465 . 1 . 1 41 41 ASP C C 13 177.94 0.20 . 1 . . . . A 32 ASP C . 34894 1 466 . 1 . 1 41 41 ASP CA C 13 52.61 0.20 . 1 . . . . A 32 ASP CA . 34894 1 467 . 1 . 1 41 41 ASP CB C 13 41.54 0.20 . 1 . . . . A 32 ASP CB . 34894 1 468 . 1 . 1 41 41 ASP N N 15 123.84 0.20 . 1 . . . . A 32 ASP N . 34894 1 469 . 1 . 1 42 42 GLU H H 1 8.88 0.02 . 1 . . . . A 33 GLU H . 34894 1 470 . 1 . 1 42 42 GLU HA H 1 4.14 0.02 . 1 . . . . A 33 GLU HA . 34894 1 471 . 1 . 1 42 42 GLU HB2 H 1 2.13 0.02 . 2 . . . . A 33 GLU HB2 . 34894 1 472 . 1 . 1 42 42 GLU HB3 H 1 2.06 0.02 . 2 . . . . A 33 GLU HB3 . 34894 1 473 . 1 . 1 42 42 GLU HG2 H 1 2.38 0.02 . 2 . . . . A 33 GLU HG2 . 34894 1 474 . 1 . 1 42 42 GLU HG3 H 1 2.38 0.02 . 2 . . . . A 33 GLU HG3 . 34894 1 475 . 1 . 1 42 42 GLU C C 13 176.96 0.20 . 1 . . . . A 33 GLU C . 34894 1 476 . 1 . 1 42 42 GLU CA C 13 58.62 0.20 . 1 . . . . A 33 GLU CA . 34894 1 477 . 1 . 1 42 42 GLU CB C 13 29.32 0.20 . 1 . . . . A 33 GLU CB . 34894 1 478 . 1 . 1 42 42 GLU CG C 13 36.69 0.20 . 1 . . . . A 33 GLU CG . 34894 1 479 . 1 . 1 42 42 GLU N N 15 117.54 0.20 . 1 . . . . A 33 GLU N . 34894 1 480 . 1 . 1 43 43 GLN H H 1 8.34 0.02 . 1 . . . . A 34 GLN H . 34894 1 481 . 1 . 1 43 43 GLN HA H 1 4.48 0.02 . 1 . . . . A 34 GLN HA . 34894 1 482 . 1 . 1 43 43 GLN HB2 H 1 2.51 0.02 . 2 . . . . A 34 GLN HB2 . 34894 1 483 . 1 . 1 43 43 GLN HB3 H 1 2.29 0.02 . 2 . . . . A 34 GLN HB3 . 34894 1 484 . 1 . 1 43 43 GLN HG2 H 1 2.43 0.02 . 2 . . . . A 34 GLN HG2 . 34894 1 485 . 1 . 1 43 43 GLN HG3 H 1 2.43 0.02 . 2 . . . . A 34 GLN HG3 . 34894 1 486 . 1 . 1 43 43 GLN C C 13 175.83 0.20 . 1 . . . . A 34 GLN C . 34894 1 487 . 1 . 1 43 43 GLN CA C 13 55.82 0.20 . 1 . . . . A 34 GLN CA . 34894 1 488 . 1 . 1 43 43 GLN CB C 13 29.72 0.20 . 1 . . . . A 34 GLN CB . 34894 1 489 . 1 . 1 43 43 GLN CG C 13 34.98 0.20 . 1 . . . . A 34 GLN CG . 34894 1 490 . 1 . 1 43 43 GLN N N 15 117.63 0.20 . 1 . . . . A 34 GLN N . 34894 1 491 . 1 . 1 44 44 GLY H H 1 8.09 0.02 . 1 . . . . A 35 GLY H . 34894 1 492 . 1 . 1 44 44 GLY HA2 H 1 3.85 0.02 . 2 . . . . A 35 GLY HA2 . 34894 1 493 . 1 . 1 44 44 GLY HA3 H 1 4.11 0.02 . 2 . . . . A 35 GLY HA3 . 34894 1 494 . 1 . 1 44 44 GLY C C 13 174.07 0.20 . 1 . . . . A 35 GLY C . 34894 1 495 . 1 . 1 44 44 GLY CA C 13 45.64 0.20 . 1 . . . . A 35 GLY CA . 34894 1 496 . 1 . 1 44 44 GLY N N 15 107.71 0.20 . 1 . . . . A 35 GLY N . 34894 1 497 . 1 . 1 45 45 TRP H H 1 8.68 0.02 . 1 . . . . A 36 TRP H . 34894 1 498 . 1 . 1 45 45 TRP HA H 1 4.75 0.02 . 1 . . . . A 36 TRP HA . 34894 1 499 . 1 . 1 45 45 TRP HB2 H 1 3.35 0.02 . 2 . . . . A 36 TRP HB2 . 34894 1 500 . 1 . 1 45 45 TRP HB3 H 1 2.89 0.02 . 2 . . . . A 36 TRP HB3 . 34894 1 501 . 1 . 1 45 45 TRP HD1 H 1 7.16 0.02 . 1 . . . . A 36 TRP HD1 . 34894 1 502 . 1 . 1 45 45 TRP HE1 H 1 10.19 0.02 . 1 . . . . A 36 TRP HE1 . 34894 1 503 . 1 . 1 45 45 TRP HE3 H 1 7.08 0.02 . 1 . . . . A 36 TRP HE3 . 34894 1 504 . 1 . 1 45 45 TRP HZ2 H 1 7.41 0.02 . 1 . . . . A 36 TRP HZ2 . 34894 1 505 . 1 . 1 45 45 TRP HZ3 H 1 6.65 0.02 . 1 . . . . A 36 TRP HZ3 . 34894 1 506 . 1 . 1 45 45 TRP HH2 H 1 7.27 0.02 . 1 . . . . A 36 TRP HH2 . 34894 1 507 . 1 . 1 45 45 TRP C C 13 176.23 0.20 . 1 . . . . A 36 TRP C . 34894 1 508 . 1 . 1 45 45 TRP CA C 13 56.98 0.20 . 1 . . . . A 36 TRP CA . 34894 1 509 . 1 . 1 45 45 TRP CB C 13 30.63 0.20 . 1 . . . . A 36 TRP CB . 34894 1 510 . 1 . 1 45 45 TRP CD1 C 13 127.48 0.20 . 1 . . . . A 36 TRP CD1 . 34894 1 511 . 1 . 1 45 45 TRP CE3 C 13 119.68 0.20 . 1 . . . . A 36 TRP CE3 . 34894 1 512 . 1 . 1 45 45 TRP CZ2 C 13 114.48 0.20 . 1 . . . . A 36 TRP CZ2 . 34894 1 513 . 1 . 1 45 45 TRP CZ3 C 13 120.13 0.20 . 1 . . . . A 36 TRP CZ3 . 34894 1 514 . 1 . 1 45 45 TRP CH2 C 13 125.23 0.20 . 1 . . . . A 36 TRP CH2 . 34894 1 515 . 1 . 1 45 45 TRP N N 15 123.25 0.20 . 1 . . . . A 36 TRP N . 34894 1 516 . 1 . 1 45 45 TRP NE1 N 15 128.79 0.20 . 1 . . . . A 36 TRP NE1 . 34894 1 517 . 1 . 1 46 46 CYS H H 1 8.70 0.02 . 1 . . . . A 37 CYS H . 34894 1 518 . 1 . 1 46 46 CYS HA H 1 4.46 0.02 . 1 . . . . A 37 CYS HA . 34894 1 519 . 1 . 1 46 46 CYS HB2 H 1 2.78 0.02 . 2 . . . . A 37 CYS HB2 . 34894 1 520 . 1 . 1 46 46 CYS HB3 H 1 1.35 0.02 . 2 . . . . A 37 CYS HB3 . 34894 1 521 . 1 . 1 46 46 CYS C C 13 172.03 0.20 . 1 . . . . A 37 CYS C . 34894 1 522 . 1 . 1 46 46 CYS CA C 13 57.31 0.20 . 1 . . . . A 37 CYS CA . 34894 1 523 . 1 . 1 46 46 CYS CB C 13 30.94 0.20 . 1 . . . . A 37 CYS CB . 34894 1 524 . 1 . 1 46 46 CYS N N 15 120.12 0.20 . 1 . . . . A 37 CYS N . 34894 1 525 . 1 . 1 47 47 LYS H H 1 7.38 0.02 . 1 . . . . A 38 LYS H . 34894 1 526 . 1 . 1 47 47 LYS HA H 1 5.05 0.02 . 1 . . . . A 38 LYS HA . 34894 1 527 . 1 . 1 47 47 LYS HB2 H 1 1.61 0.02 . 2 . . . . A 38 LYS HB2 . 34894 1 528 . 1 . 1 47 47 LYS HB3 H 1 1.61 0.02 . 2 . . . . A 38 LYS HB3 . 34894 1 529 . 1 . 1 47 47 LYS HG2 H 1 1.46 0.02 . 2 . . . . A 38 LYS HG2 . 34894 1 530 . 1 . 1 47 47 LYS HG3 H 1 1.35 0.02 . 2 . . . . A 38 LYS HG3 . 34894 1 531 . 1 . 1 47 47 LYS HD2 H 1 1.63 0.02 . 2 . . . . A 38 LYS HD2 . 34894 1 532 . 1 . 1 47 47 LYS HD3 H 1 1.51 0.02 . 2 . . . . A 38 LYS HD3 . 34894 1 533 . 1 . 1 47 47 LYS HE2 H 1 2.88 0.02 . 2 . . . . A 38 LYS HE2 . 34894 1 534 . 1 . 1 47 47 LYS HE3 H 1 2.81 0.02 . 2 . . . . A 38 LYS HE3 . 34894 1 535 . 1 . 1 47 47 LYS C C 13 176.05 0.20 . 1 . . . . A 38 LYS C . 34894 1 536 . 1 . 1 47 47 LYS CA C 13 55.52 0.20 . 1 . . . . A 38 LYS CA . 34894 1 537 . 1 . 1 47 47 LYS CB C 13 35.11 0.20 . 1 . . . . A 38 LYS CB . 34894 1 538 . 1 . 1 47 47 LYS CG C 13 25.51 0.20 . 1 . . . . A 38 LYS CG . 34894 1 539 . 1 . 1 47 47 LYS CD C 13 29.46 0.20 . 1 . . . . A 38 LYS CD . 34894 1 540 . 1 . 1 47 47 LYS CE C 13 41.81 0.20 . 1 . . . . A 38 LYS CE . 34894 1 541 . 1 . 1 47 47 LYS N N 15 119.81 0.20 . 1 . . . . A 38 LYS N . 34894 1 542 . 1 . 1 48 48 GLY H H 1 9.77 0.02 . 1 . . . . A 39 GLY H . 34894 1 543 . 1 . 1 48 48 GLY HA2 H 1 5.22 0.02 . 2 . . . . A 39 GLY HA2 . 34894 1 544 . 1 . 1 48 48 GLY HA3 H 1 3.79 0.02 . 2 . . . . A 39 GLY HA3 . 34894 1 545 . 1 . 1 48 48 GLY C C 13 169.53 0.20 . 1 . . . . A 39 GLY C . 34894 1 546 . 1 . 1 48 48 GLY CA C 13 45.22 0.20 . 1 . . . . A 39 GLY CA . 34894 1 547 . 1 . 1 48 48 GLY N N 15 114.40 0.20 . 1 . . . . A 39 GLY N . 34894 1 548 . 1 . 1 49 49 ARG H H 1 8.91 0.02 . 1 . . . . A 40 ARG H . 34894 1 549 . 1 . 1 49 49 ARG HA H 1 5.65 0.02 . 1 . . . . A 40 ARG HA . 34894 1 550 . 1 . 1 49 49 ARG HB2 H 1 1.87 0.02 . 2 . . . . A 40 ARG HB2 . 34894 1 551 . 1 . 1 49 49 ARG HB3 H 1 1.65 0.02 . 2 . . . . A 40 ARG HB3 . 34894 1 552 . 1 . 1 49 49 ARG HG2 H 1 1.89 0.02 . 2 . . . . A 40 ARG HG2 . 34894 1 553 . 1 . 1 49 49 ARG HG3 H 1 1.42 0.02 . 2 . . . . A 40 ARG HG3 . 34894 1 554 . 1 . 1 49 49 ARG HD2 H 1 3.17 0.02 . 2 . . . . A 40 ARG HD2 . 34894 1 555 . 1 . 1 49 49 ARG HD3 H 1 3.12 0.02 . 2 . . . . A 40 ARG HD3 . 34894 1 556 . 1 . 1 49 49 ARG HE H 1 7.18 0.02 . 1 . . . . A 40 ARG HE . 34894 1 557 . 1 . 1 49 49 ARG C C 13 177.89 0.20 . 1 . . . . A 40 ARG C . 34894 1 558 . 1 . 1 49 49 ARG CA C 13 53.85 0.20 . 1 . . . . A 40 ARG CA . 34894 1 559 . 1 . 1 49 49 ARG CB C 13 34.86 0.20 . 1 . . . . A 40 ARG CB . 34894 1 560 . 1 . 1 49 49 ARG CG C 13 26.89 0.20 . 1 . . . . A 40 ARG CG . 34894 1 561 . 1 . 1 49 49 ARG CD C 13 43.91 0.20 . 1 . . . . A 40 ARG CD . 34894 1 562 . 1 . 1 49 49 ARG N N 15 118.32 0.20 . 1 . . . . A 40 ARG N . 34894 1 563 . 1 . 1 49 49 ARG NE N 15 85.03 0.20 . 1 . . . . A 40 ARG NE . 34894 1 564 . 1 . 1 50 50 LEU H H 1 9.31 0.02 . 1 . . . . A 41 LEU H . 34894 1 565 . 1 . 1 50 50 LEU HA H 1 4.69 0.02 . 1 . . . . A 41 LEU HA . 34894 1 566 . 1 . 1 50 50 LEU HB2 H 1 2.25 0.02 . 2 . . . . A 41 LEU HB2 . 34894 1 567 . 1 . 1 50 50 LEU HB3 H 1 1.82 0.02 . 2 . . . . A 41 LEU HB3 . 34894 1 568 . 1 . 1 50 50 LEU HG H 1 1.88 0.02 . 1 . . . . A 41 LEU HG . 34894 1 569 . 1 . 1 50 50 LEU HD11 H 1 1.29 0.02 . 2 . . . . A 41 LEU HD11 . 34894 1 570 . 1 . 1 50 50 LEU HD12 H 1 1.29 0.02 . 2 . . . . A 41 LEU HD12 . 34894 1 571 . 1 . 1 50 50 LEU HD13 H 1 1.29 0.02 . 2 . . . . A 41 LEU HD13 . 34894 1 572 . 1 . 1 50 50 LEU HD21 H 1 1.04 0.02 . 2 . . . . A 41 LEU HD21 . 34894 1 573 . 1 . 1 50 50 LEU HD22 H 1 1.04 0.02 . 2 . . . . A 41 LEU HD22 . 34894 1 574 . 1 . 1 50 50 LEU HD23 H 1 1.04 0.02 . 2 . . . . A 41 LEU HD23 . 34894 1 575 . 1 . 1 50 50 LEU C C 13 179.19 0.20 . 1 . . . . A 41 LEU C . 34894 1 576 . 1 . 1 50 50 LEU CA C 13 54.53 0.20 . 1 . . . . A 41 LEU CA . 34894 1 577 . 1 . 1 50 50 LEU CB C 13 42.67 0.20 . 1 . . . . A 41 LEU CB . 34894 1 578 . 1 . 1 50 50 LEU CG C 13 27.01 0.20 . 1 . . . . A 41 LEU CG . 34894 1 579 . 1 . 1 50 50 LEU CD1 C 13 26.31 0.20 . 2 . . . . A 41 LEU CD1 . 34894 1 580 . 1 . 1 50 50 LEU CD2 C 13 23.04 0.20 . 2 . . . . A 41 LEU CD2 . 34894 1 581 . 1 . 1 50 50 LEU N N 15 128.79 0.20 . 1 . . . . A 41 LEU N . 34894 1 582 . 1 . 1 51 51 ASP H H 1 9.91 0.02 . 1 . . . . A 42 ASP H . 34894 1 583 . 1 . 1 51 51 ASP HA H 1 4.46 0.02 . 1 . . . . A 42 ASP HA . 34894 1 584 . 1 . 1 51 51 ASP HB2 H 1 2.77 0.02 . 2 . . . . A 42 ASP HB2 . 34894 1 585 . 1 . 1 51 51 ASP HB3 H 1 2.73 0.02 . 2 . . . . A 42 ASP HB3 . 34894 1 586 . 1 . 1 51 51 ASP C C 13 177.02 0.20 . 1 . . . . A 42 ASP C . 34894 1 587 . 1 . 1 51 51 ASP CA C 13 57.16 0.20 . 1 . . . . A 42 ASP CA . 34894 1 588 . 1 . 1 51 51 ASP CB C 13 39.19 0.20 . 1 . . . . A 42 ASP CB . 34894 1 589 . 1 . 1 51 51 ASP N N 15 122.83 0.20 . 1 . . . . A 42 ASP N . 34894 1 590 . 1 . 1 52 52 ASN H H 1 7.65 0.02 . 1 . . . . A 43 ASN H . 34894 1 591 . 1 . 1 52 52 ASN HA H 1 4.58 0.02 . 1 . . . . A 43 ASN HA . 34894 1 592 . 1 . 1 52 52 ASN HB2 H 1 3.28 0.02 . 2 . . . . A 43 ASN HB2 . 34894 1 593 . 1 . 1 52 52 ASN HB3 H 1 2.83 0.02 . 2 . . . . A 43 ASN HB3 . 34894 1 594 . 1 . 1 52 52 ASN C C 13 176.73 0.20 . 1 . . . . A 43 ASN C . 34894 1 595 . 1 . 1 52 52 ASN CA C 13 53.00 0.20 . 1 . . . . A 43 ASN CA . 34894 1 596 . 1 . 1 52 52 ASN CB C 13 37.17 0.20 . 1 . . . . A 43 ASN CB . 34894 1 597 . 1 . 1 52 52 ASN N N 15 115.71 0.20 . 1 . . . . A 43 ASN N . 34894 1 598 . 1 . 1 53 53 GLY H H 1 8.37 0.02 . 1 . . . . A 44 GLY H . 34894 1 599 . 1 . 1 53 53 GLY HA2 H 1 3.50 0.02 . 2 . . . . A 44 GLY HA2 . 34894 1 600 . 1 . 1 53 53 GLY HA3 H 1 4.45 0.02 . 2 . . . . A 44 GLY HA3 . 34894 1 601 . 1 . 1 53 53 GLY C C 13 174.44 0.20 . 1 . . . . A 44 GLY C . 34894 1 602 . 1 . 1 53 53 GLY CA C 13 44.78 0.20 . 1 . . . . A 44 GLY CA . 34894 1 603 . 1 . 1 53 53 GLY N N 15 108.81 0.20 . 1 . . . . A 44 GLY N . 34894 1 604 . 1 . 1 54 54 GLN H H 1 8.13 0.02 . 1 . . . . A 45 GLN H . 34894 1 605 . 1 . 1 54 54 GLN HA H 1 4.17 0.02 . 1 . . . . A 45 GLN HA . 34894 1 606 . 1 . 1 54 54 GLN HB2 H 1 2.15 0.02 . 2 . . . . A 45 GLN HB2 . 34894 1 607 . 1 . 1 54 54 GLN HB3 H 1 2.04 0.02 . 2 . . . . A 45 GLN HB3 . 34894 1 608 . 1 . 1 54 54 GLN HG2 H 1 2.43 0.02 . 2 . . . . A 45 GLN HG2 . 34894 1 609 . 1 . 1 54 54 GLN HG3 H 1 2.30 0.02 . 2 . . . . A 45 GLN HG3 . 34894 1 610 . 1 . 1 54 54 GLN C C 13 174.66 0.20 . 1 . . . . A 45 GLN C . 34894 1 611 . 1 . 1 54 54 GLN CA C 13 57.49 0.20 . 1 . . . . A 45 GLN CA . 34894 1 612 . 1 . 1 54 54 GLN CB C 13 29.06 0.20 . 1 . . . . A 45 GLN CB . 34894 1 613 . 1 . 1 54 54 GLN CG C 13 33.93 0.20 . 1 . . . . A 45 GLN CG . 34894 1 614 . 1 . 1 54 54 GLN N N 15 122.16 0.20 . 1 . . . . A 45 GLN N . 34894 1 615 . 1 . 1 55 55 VAL H H 1 8.40 0.02 . 1 . . . . A 46 VAL H . 34894 1 616 . 1 . 1 55 55 VAL HA H 1 5.32 0.02 . 1 . . . . A 46 VAL HA . 34894 1 617 . 1 . 1 55 55 VAL HB H 1 1.97 0.02 . 1 . . . . A 46 VAL HB . 34894 1 618 . 1 . 1 55 55 VAL HG11 H 1 1.06 0.02 . 2 . . . . A 46 VAL HG11 . 34894 1 619 . 1 . 1 55 55 VAL HG12 H 1 1.06 0.02 . 2 . . . . A 46 VAL HG12 . 34894 1 620 . 1 . 1 55 55 VAL HG13 H 1 1.06 0.02 . 2 . . . . A 46 VAL HG13 . 34894 1 621 . 1 . 1 55 55 VAL HG21 H 1 0.99 0.02 . 2 . . . . A 46 VAL HG21 . 34894 1 622 . 1 . 1 55 55 VAL HG22 H 1 0.99 0.02 . 2 . . . . A 46 VAL HG22 . 34894 1 623 . 1 . 1 55 55 VAL HG23 H 1 0.99 0.02 . 2 . . . . A 46 VAL HG23 . 34894 1 624 . 1 . 1 55 55 VAL C C 13 176.86 0.20 . 1 . . . . A 46 VAL C . 34894 1 625 . 1 . 1 55 55 VAL CA C 13 60.24 0.20 . 1 . . . . A 46 VAL CA . 34894 1 626 . 1 . 1 55 55 VAL CB C 13 34.61 0.20 . 1 . . . . A 46 VAL CB . 34894 1 627 . 1 . 1 55 55 VAL CG1 C 13 21.35 0.20 . 2 . . . . A 46 VAL CG1 . 34894 1 628 . 1 . 1 55 55 VAL CG2 C 13 21.38 0.20 . 2 . . . . A 46 VAL CG2 . 34894 1 629 . 1 . 1 55 55 VAL N N 15 124.06 0.20 . 1 . . . . A 46 VAL N . 34894 1 630 . 1 . 1 56 56 GLY H H 1 8.92 0.02 . 1 . . . . A 47 GLY H . 34894 1 631 . 1 . 1 56 56 GLY HA2 H 1 4.34 0.02 . 2 . . . . A 47 GLY HA2 . 34894 1 632 . 1 . 1 56 56 GLY HA3 H 1 4.03 0.02 . 2 . . . . A 47 GLY HA3 . 34894 1 633 . 1 . 1 56 56 GLY C C 13 170.94 0.20 . 1 . . . . A 47 GLY C . 34894 1 634 . 1 . 1 56 56 GLY CA C 13 45.71 0.20 . 1 . . . . A 47 GLY CA . 34894 1 635 . 1 . 1 56 56 GLY N N 15 113.35 0.20 . 1 . . . . A 47 GLY N . 34894 1 636 . 1 . 1 57 57 LEU H H 1 9.15 0.02 . 1 . . . . A 48 LEU H . 34894 1 637 . 1 . 1 57 57 LEU HA H 1 5.57 0.02 . 1 . . . . A 48 LEU HA . 34894 1 638 . 1 . 1 57 57 LEU HB2 H 1 1.51 0.02 . 2 . . . . A 48 LEU HB2 . 34894 1 639 . 1 . 1 57 57 LEU HB3 H 1 1.57 0.02 . 2 . . . . A 48 LEU HB3 . 34894 1 640 . 1 . 1 57 57 LEU HG H 1 1.65 0.02 . 1 . . . . A 48 LEU HG . 34894 1 641 . 1 . 1 57 57 LEU HD11 H 1 0.52 0.02 . 2 . . . . A 48 LEU HD11 . 34894 1 642 . 1 . 1 57 57 LEU HD12 H 1 0.52 0.02 . 2 . . . . A 48 LEU HD12 . 34894 1 643 . 1 . 1 57 57 LEU HD13 H 1 0.52 0.02 . 2 . . . . A 48 LEU HD13 . 34894 1 644 . 1 . 1 57 57 LEU HD21 H 1 0.67 0.02 . 2 . . . . A 48 LEU HD21 . 34894 1 645 . 1 . 1 57 57 LEU HD22 H 1 0.67 0.02 . 2 . . . . A 48 LEU HD22 . 34894 1 646 . 1 . 1 57 57 LEU HD23 H 1 0.67 0.02 . 2 . . . . A 48 LEU HD23 . 34894 1 647 . 1 . 1 57 57 LEU C C 13 177.20 0.20 . 1 . . . . A 48 LEU C . 34894 1 648 . 1 . 1 57 57 LEU CA C 13 54.13 0.20 . 1 . . . . A 48 LEU CA . 34894 1 649 . 1 . 1 57 57 LEU CB C 13 45.01 0.20 . 1 . . . . A 48 LEU CB . 34894 1 650 . 1 . 1 57 57 LEU CG C 13 27.35 0.20 . 1 . . . . A 48 LEU CG . 34894 1 651 . 1 . 1 57 57 LEU CD1 C 13 25.25 0.20 . 2 . . . . A 48 LEU CD1 . 34894 1 652 . 1 . 1 57 57 LEU CD2 C 13 22.68 0.20 . 2 . . . . A 48 LEU CD2 . 34894 1 653 . 1 . 1 57 57 LEU N N 15 120.20 0.20 . 1 . . . . A 48 LEU N . 34894 1 654 . 1 . 1 58 58 TYR H H 1 8.97 0.02 . 1 . . . . A 49 TYR H . 34894 1 655 . 1 . 1 58 58 TYR HA H 1 5.19 0.02 . 1 . . . . A 49 TYR HA . 34894 1 656 . 1 . 1 58 58 TYR HB2 H 1 2.82 0.02 . 2 . . . . A 49 TYR HB2 . 34894 1 657 . 1 . 1 58 58 TYR HB3 H 1 2.82 0.02 . 2 . . . . A 49 TYR HB3 . 34894 1 658 . 1 . 1 58 58 TYR HD1 H 1 6.72 0.02 . 3 . . . . A 49 TYR HD1 . 34894 1 659 . 1 . 1 58 58 TYR HD2 H 1 6.72 0.02 . 3 . . . . A 49 TYR HD2 . 34894 1 660 . 1 . 1 58 58 TYR HE1 H 1 6.39 0.02 . 3 . . . . A 49 TYR HE1 . 34894 1 661 . 1 . 1 58 58 TYR HE2 H 1 6.39 0.02 . 3 . . . . A 49 TYR HE2 . 34894 1 662 . 1 . 1 58 58 TYR C C 13 170.81 0.20 . 1 . . . . A 49 TYR C . 34894 1 663 . 1 . 1 58 58 TYR CA C 13 55.19 0.20 . 1 . . . . A 49 TYR CA . 34894 1 664 . 1 . 1 58 58 TYR CB C 13 39.79 0.20 . 1 . . . . A 49 TYR CB . 34894 1 665 . 1 . 1 58 58 TYR CD1 C 13 133.70 0.20 . 1 . . . . A 49 TYR CD1 . 34894 1 666 . 1 . 1 58 58 TYR CD2 C 13 133.70 0.20 . 1 . . . . A 49 TYR CD2 . 34894 1 667 . 1 . 1 58 58 TYR CE1 C 13 117.25 0.20 . 1 . . . . A 49 TYR CE1 . 34894 1 668 . 1 . 1 58 58 TYR CE2 C 13 117.25 0.20 . 1 . . . . A 49 TYR CE2 . 34894 1 669 . 1 . 1 58 58 TYR N N 15 116.08 0.20 . 1 . . . . A 49 TYR N . 34894 1 670 . 1 . 1 59 59 PRO HA H 1 3.68 0.02 . 1 . . . . A 50 PRO HA . 34894 1 671 . 1 . 1 59 59 PRO HB2 H 1 1.54 0.02 . 2 . . . . A 50 PRO HB2 . 34894 1 672 . 1 . 1 59 59 PRO HB3 H 1 1.15 0.02 . 2 . . . . A 50 PRO HB3 . 34894 1 673 . 1 . 1 59 59 PRO HG2 H 1 0.72 0.02 . 2 . . . . A 50 PRO HG2 . 34894 1 674 . 1 . 1 59 59 PRO HG3 H 1 0.45 0.02 . 2 . . . . A 50 PRO HG3 . 34894 1 675 . 1 . 1 59 59 PRO HD2 H 1 2.84 0.02 . 2 . . . . A 50 PRO HD2 . 34894 1 676 . 1 . 1 59 59 PRO HD3 H 1 2.68 0.02 . 2 . . . . A 50 PRO HD3 . 34894 1 677 . 1 . 1 59 59 PRO C C 13 178.00 0.20 . 1 . . . . A 50 PRO C . 34894 1 678 . 1 . 1 59 59 PRO CA C 13 61.61 0.20 . 1 . . . . A 50 PRO CA . 34894 1 679 . 1 . 1 59 59 PRO CB C 13 30.21 0.20 . 1 . . . . A 50 PRO CB . 34894 1 680 . 1 . 1 59 59 PRO CG C 13 26.87 0.20 . 1 . . . . A 50 PRO CG . 34894 1 681 . 1 . 1 59 59 PRO CD C 13 50.05 0.20 . 1 . . . . A 50 PRO CD . 34894 1 682 . 1 . 1 60 60 ALA H H 1 8.30 0.02 . 1 . . . . A 51 ALA H . 34894 1 683 . 1 . 1 60 60 ALA HA H 1 3.95 0.02 . 1 . . . . A 51 ALA HA . 34894 1 684 . 1 . 1 60 60 ALA HB1 H 1 1.29 0.02 . 1 . . . . A 51 ALA HB1 . 34894 1 685 . 1 . 1 60 60 ALA HB2 H 1 1.29 0.02 . 1 . . . . A 51 ALA HB2 . 34894 1 686 . 1 . 1 60 60 ALA HB3 H 1 1.29 0.02 . 1 . . . . A 51 ALA HB3 . 34894 1 687 . 1 . 1 60 60 ALA C C 13 178.66 0.20 . 1 . . . . A 51 ALA C . 34894 1 688 . 1 . 1 60 60 ALA CA C 13 55.22 0.20 . 1 . . . . A 51 ALA CA . 34894 1 689 . 1 . 1 60 60 ALA CB C 13 19.63 0.20 . 1 . . . . A 51 ALA CB . 34894 1 690 . 1 . 1 60 60 ALA N N 15 127.38 0.20 . 1 . . . . A 51 ALA N . 34894 1 691 . 1 . 1 61 61 ASN H H 1 8.51 0.02 . 1 . . . . A 52 ASN H . 34894 1 692 . 1 . 1 61 61 ASN HA H 1 4.79 0.02 . 1 . . . . A 52 ASN HA . 34894 1 693 . 1 . 1 61 61 ASN HB2 H 1 3.10 0.02 . 2 . . . . A 52 ASN HB2 . 34894 1 694 . 1 . 1 61 61 ASN HB3 H 1 2.85 0.02 . 2 . . . . A 52 ASN HB3 . 34894 1 695 . 1 . 1 61 61 ASN C C 13 175.52 0.20 . 1 . . . . A 52 ASN C . 34894 1 696 . 1 . 1 61 61 ASN CA C 13 53.67 0.20 . 1 . . . . A 52 ASN CA . 34894 1 697 . 1 . 1 61 61 ASN CB C 13 36.61 0.20 . 1 . . . . A 52 ASN CB . 34894 1 698 . 1 . 1 61 61 ASN N N 15 110.69 0.20 . 1 . . . . A 52 ASN N . 34894 1 699 . 1 . 1 62 62 TYR H H 1 8.29 0.02 . 1 . . . . A 53 TYR H . 34894 1 700 . 1 . 1 62 62 TYR HA H 1 4.73 0.02 . 1 . . . . A 53 TYR HA . 34894 1 701 . 1 . 1 62 62 TYR HB2 H 1 3.50 0.02 . 2 . . . . A 53 TYR HB2 . 34894 1 702 . 1 . 1 62 62 TYR HB3 H 1 3.61 0.02 . 2 . . . . A 53 TYR HB3 . 34894 1 703 . 1 . 1 62 62 TYR HD1 H 1 7.26 0.02 . 3 . . . . A 53 TYR HD1 . 34894 1 704 . 1 . 1 62 62 TYR HD2 H 1 7.26 0.02 . 3 . . . . A 53 TYR HD2 . 34894 1 705 . 1 . 1 62 62 TYR HE1 H 1 7.06 0.02 . 3 . . . . A 53 TYR HE1 . 34894 1 706 . 1 . 1 62 62 TYR HE2 H 1 7.06 0.02 . 3 . . . . A 53 TYR HE2 . 34894 1 707 . 1 . 1 62 62 TYR C C 13 175.13 0.20 . 1 . . . . A 53 TYR C . 34894 1 708 . 1 . 1 62 62 TYR CA C 13 59.33 0.20 . 1 . . . . A 53 TYR CA . 34894 1 709 . 1 . 1 62 62 TYR CB C 13 38.92 0.20 . 1 . . . . A 53 TYR CB . 34894 1 710 . 1 . 1 62 62 TYR CD1 C 13 131.89 0.20 . 1 . . . . A 53 TYR CD1 . 34894 1 711 . 1 . 1 62 62 TYR CD2 C 13 131.89 0.20 . 1 . . . . A 53 TYR CD2 . 34894 1 712 . 1 . 1 62 62 TYR CE1 C 13 118.59 0.20 . 1 . . . . A 53 TYR CE1 . 34894 1 713 . 1 . 1 62 62 TYR CE2 C 13 118.59 0.20 . 1 . . . . A 53 TYR CE2 . 34894 1 714 . 1 . 1 62 62 TYR N N 15 119.35 0.20 . 1 . . . . A 53 TYR N . 34894 1 715 . 1 . 1 63 63 VAL H H 1 7.43 0.02 . 1 . . . . A 54 VAL H . 34894 1 716 . 1 . 1 63 63 VAL HA H 1 5.36 0.02 . 1 . . . . A 54 VAL HA . 34894 1 717 . 1 . 1 63 63 VAL HB H 1 1.67 0.02 . 1 . . . . A 54 VAL HB . 34894 1 718 . 1 . 1 63 63 VAL HG11 H 1 0.25 0.02 . 2 . . . . A 54 VAL HG11 . 34894 1 719 . 1 . 1 63 63 VAL HG12 H 1 0.25 0.02 . 2 . . . . A 54 VAL HG12 . 34894 1 720 . 1 . 1 63 63 VAL HG13 H 1 0.25 0.02 . 2 . . . . A 54 VAL HG13 . 34894 1 721 . 1 . 1 63 63 VAL HG21 H 1 0.87 0.02 . 2 . . . . A 54 VAL HG21 . 34894 1 722 . 1 . 1 63 63 VAL HG22 H 1 0.87 0.02 . 2 . . . . A 54 VAL HG22 . 34894 1 723 . 1 . 1 63 63 VAL HG23 H 1 0.87 0.02 . 2 . . . . A 54 VAL HG23 . 34894 1 724 . 1 . 1 63 63 VAL C C 13 173.53 0.20 . 1 . . . . A 54 VAL C . 34894 1 725 . 1 . 1 63 63 VAL CA C 13 58.20 0.20 . 1 . . . . A 54 VAL CA . 34894 1 726 . 1 . 1 63 63 VAL CB C 13 35.71 0.20 . 1 . . . . A 54 VAL CB . 34894 1 727 . 1 . 1 63 63 VAL CG1 C 13 20.25 0.20 . 2 . . . . A 54 VAL CG1 . 34894 1 728 . 1 . 1 63 63 VAL CG2 C 13 19.49 0.20 . 2 . . . . A 54 VAL CG2 . 34894 1 729 . 1 . 1 63 63 VAL N N 15 109.01 0.20 . 1 . . . . A 54 VAL N . 34894 1 730 . 1 . 1 64 64 GLU H H 1 8.77 0.02 . 1 . . . . A 55 GLU H . 34894 1 731 . 1 . 1 64 64 GLU HA H 1 5.13 0.02 . 1 . . . . A 55 GLU HA . 34894 1 732 . 1 . 1 64 64 GLU HB2 H 1 2.05 0.02 . 2 . . . . A 55 GLU HB2 . 34894 1 733 . 1 . 1 64 64 GLU HB3 H 1 1.85 0.02 . 2 . . . . A 55 GLU HB3 . 34894 1 734 . 1 . 1 64 64 GLU HG2 H 1 2.21 0.02 . 2 . . . . A 55 GLU HG2 . 34894 1 735 . 1 . 1 64 64 GLU HG3 H 1 2.17 0.02 . 2 . . . . A 55 GLU HG3 . 34894 1 736 . 1 . 1 64 64 GLU C C 13 172.72 0.20 . 1 . . . . A 55 GLU C . 34894 1 737 . 1 . 1 64 64 GLU CA C 13 52.19 0.20 . 1 . . . . A 55 GLU CA . 34894 1 738 . 1 . 1 64 64 GLU CB C 13 31.89 0.20 . 1 . . . . A 55 GLU CB . 34894 1 739 . 1 . 1 64 64 GLU CG C 13 34.73 0.20 . 1 . . . . A 55 GLU CG . 34894 1 740 . 1 . 1 64 64 GLU N N 15 117.66 0.20 . 1 . . . . A 55 GLU N . 34894 1 741 . 1 . 1 65 65 PRO HA H 1 4.65 0.02 . 1 . . . . A 56 PRO HA . 34894 1 742 . 1 . 1 65 65 PRO HB2 H 1 2.30 0.02 . 2 . . . . A 56 PRO HB2 . 34894 1 743 . 1 . 1 65 65 PRO HB3 H 1 1.88 0.02 . 2 . . . . A 56 PRO HB3 . 34894 1 744 . 1 . 1 65 65 PRO HG2 H 1 2.12 0.02 . 2 . . . . A 56 PRO HG2 . 34894 1 745 . 1 . 1 65 65 PRO HG3 H 1 1.93 0.02 . 2 . . . . A 56 PRO HG3 . 34894 1 746 . 1 . 1 65 65 PRO HD2 H 1 3.72 0.02 . 2 . . . . A 56 PRO HD2 . 34894 1 747 . 1 . 1 65 65 PRO HD3 H 1 3.84 0.02 . 2 . . . . A 56 PRO HD3 . 34894 1 748 . 1 . 1 65 65 PRO C C 13 176.53 0.20 . 1 . . . . A 56 PRO C . 34894 1 749 . 1 . 1 65 65 PRO CA C 13 63.12 0.20 . 1 . . . . A 56 PRO CA . 34894 1 750 . 1 . 1 65 65 PRO CB C 13 32.28 0.20 . 1 . . . . A 56 PRO CB . 34894 1 751 . 1 . 1 65 65 PRO CG C 13 27.68 0.20 . 1 . . . . A 56 PRO CG . 34894 1 752 . 1 . 1 65 65 PRO CD C 13 50.77 0.20 . 1 . . . . A 56 PRO CD . 34894 1 753 . 1 . 1 66 66 ILE H H 1 7.98 0.02 . 1 . . . . A 57 ILE H . 34894 1 754 . 1 . 1 66 66 ILE HA H 1 4.12 0.02 . 1 . . . . A 57 ILE HA . 34894 1 755 . 1 . 1 66 66 ILE HB H 1 1.70 0.02 . 1 . . . . A 57 ILE HB . 34894 1 756 . 1 . 1 66 66 ILE HG12 H 1 0.83 0.02 . 2 . . . . A 57 ILE HG12 . 34894 1 757 . 1 . 1 66 66 ILE HG13 H 1 1.34 0.02 . 2 . . . . A 57 ILE HG13 . 34894 1 758 . 1 . 1 66 66 ILE HG21 H 1 0.83 0.02 . 1 . . . . A 57 ILE HG21 . 34894 1 759 . 1 . 1 66 66 ILE HG22 H 1 0.83 0.02 . 1 . . . . A 57 ILE HG22 . 34894 1 760 . 1 . 1 66 66 ILE HG23 H 1 0.83 0.02 . 1 . . . . A 57 ILE HG23 . 34894 1 761 . 1 . 1 66 66 ILE HD11 H 1 0.69 0.02 . 1 . . . . A 57 ILE HD11 . 34894 1 762 . 1 . 1 66 66 ILE HD12 H 1 0.69 0.02 . 1 . . . . A 57 ILE HD12 . 34894 1 763 . 1 . 1 66 66 ILE HD13 H 1 0.69 0.02 . 1 . . . . A 57 ILE HD13 . 34894 1 764 . 1 . 1 66 66 ILE C C 13 175.26 0.20 . 1 . . . . A 57 ILE C . 34894 1 765 . 1 . 1 66 66 ILE CA C 13 61.79 0.20 . 1 . . . . A 57 ILE CA . 34894 1 766 . 1 . 1 66 66 ILE CB C 13 38.82 0.20 . 1 . . . . A 57 ILE CB . 34894 1 767 . 1 . 1 66 66 ILE CG1 C 13 27.56 0.20 . 1 . . . . A 57 ILE CG1 . 34894 1 768 . 1 . 1 66 66 ILE CG2 C 13 17.66 0.20 . 1 . . . . A 57 ILE CG2 . 34894 1 769 . 1 . 1 66 66 ILE CD1 C 13 13.81 0.20 . 1 . . . . A 57 ILE CD1 . 34894 1 770 . 1 . 1 66 66 ILE N N 15 120.83 0.20 . 1 . . . . A 57 ILE N . 34894 1 771 . 1 . 1 67 67 GLN H H 1 8.06 0.02 . 1 . . . . A 58 GLN H . 34894 1 772 . 1 . 1 67 67 GLN HA H 1 4.20 0.02 . 1 . . . . A 58 GLN HA . 34894 1 773 . 1 . 1 67 67 GLN HB2 H 1 2.09 0.02 . 2 . . . . A 58 GLN HB2 . 34894 1 774 . 1 . 1 67 67 GLN HB3 H 1 1.92 0.02 . 2 . . . . A 58 GLN HB3 . 34894 1 775 . 1 . 1 67 67 GLN HG2 H 1 2.27 0.02 . 2 . . . . A 58 GLN HG2 . 34894 1 776 . 1 . 1 67 67 GLN HG3 H 1 2.27 0.02 . 2 . . . . A 58 GLN HG3 . 34894 1 777 . 1 . 1 67 67 GLN C C 13 180.20 0.20 . 1 . . . . A 58 GLN C . 34894 1 778 . 1 . 1 67 67 GLN CA C 13 57.35 0.20 . 1 . . . . A 58 GLN CA . 34894 1 779 . 1 . 1 67 67 GLN CB C 13 30.55 0.20 . 1 . . . . A 58 GLN CB . 34894 1 780 . 1 . 1 67 67 GLN CG C 13 34.26 0.20 . 1 . . . . A 58 GLN CG . 34894 1 781 . 1 . 1 67 67 GLN N N 15 129.34 0.20 . 1 . . . . A 58 GLN N . 34894 1 stop_ save_