data_34141 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34141 _Entry.Title ; p130Cas SH3 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-22 _Entry.Accession_date 2017-05-22 _Entry.Last_release_date 2017-09-13 _Entry.Original_release_date 2017-09-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 R. Hexnerova R. . . . 34141 2 V. Veverka V. . . . 34141 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'SH3 domain' . 34141 'STRUCTURE FROM CYANA 3.97' . 34141 p130Cas . 34141 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34141 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 336 34141 '15N chemical shifts' 80 34141 '1H chemical shifts' 549 34141 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 . . 2017-09-14 . original BMRB . 34141 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 34142 'CAS SH3 domain PTP-PEST peptide chimera' 34141 BMRB 34143 'CAS SH3 domain Vinculin peptide chimera' 34141 PDB 5O2M 'BMRB Entry Tracking System' 34141 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34141 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41598-017-08303-4 _Citation.PubMed_ID 28808245 _Citation.Full_citation . _Citation.Title ; Structural characterization of CAS SH3 domain selectivity and regulation reveals new CAS interaction partners. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 8057 _Citation.Page_last 8057 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Gemperle J. . . . 34141 1 2 R. Hexnerova R. . . . 34141 1 3 M. Lepsik M. . . . 34141 1 4 P. Tesina P. . . . 34141 1 5 M. Dibus M. . . . 34141 1 6 M. Novotny M. . . . 34141 1 7 J. Brabek J. . . . 34141 1 8 V. Veverka V. . . . 34141 1 9 D. Rosel D. . . . 34141 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34141 _Assembly.ID 1 _Assembly.Name 'Breast cancer anti-estrogen resistance 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34141 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34141 _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 ; GSMKYLNVLAKALYDNVAES PDELSFRKGDIMTVLERDTQ GLDGWWLCSLHGRQGIVPGN RLKILVGMYDKKPAGEFIVT D ; _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 81 _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 9053.410 _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 'CAS SH3 domain' na 34141 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 34141 1 2 . SER . 34141 1 3 . MET . 34141 1 4 . LYS . 34141 1 5 . TYR . 34141 1 6 . LEU . 34141 1 7 . ASN . 34141 1 8 . VAL . 34141 1 9 . LEU . 34141 1 10 . ALA . 34141 1 11 . LYS . 34141 1 12 . ALA . 34141 1 13 . LEU . 34141 1 14 . TYR . 34141 1 15 . ASP . 34141 1 16 . ASN . 34141 1 17 . VAL . 34141 1 18 . ALA . 34141 1 19 . GLU . 34141 1 20 . SER . 34141 1 21 . PRO . 34141 1 22 . ASP . 34141 1 23 . GLU . 34141 1 24 . LEU . 34141 1 25 . SER . 34141 1 26 . PHE . 34141 1 27 . ARG . 34141 1 28 . LYS . 34141 1 29 . GLY . 34141 1 30 . ASP . 34141 1 31 . ILE . 34141 1 32 . MET . 34141 1 33 . THR . 34141 1 34 . VAL . 34141 1 35 . LEU . 34141 1 36 . GLU . 34141 1 37 . ARG . 34141 1 38 . ASP . 34141 1 39 . THR . 34141 1 40 . GLN . 34141 1 41 . GLY . 34141 1 42 . LEU . 34141 1 43 . ASP . 34141 1 44 . GLY . 34141 1 45 . TRP . 34141 1 46 . TRP . 34141 1 47 . LEU . 34141 1 48 . CYS . 34141 1 49 . SER . 34141 1 50 . LEU . 34141 1 51 . HIS . 34141 1 52 . GLY . 34141 1 53 . ARG . 34141 1 54 . GLN . 34141 1 55 . GLY . 34141 1 56 . ILE . 34141 1 57 . VAL . 34141 1 58 . PRO . 34141 1 59 . GLY . 34141 1 60 . ASN . 34141 1 61 . ARG . 34141 1 62 . LEU . 34141 1 63 . LYS . 34141 1 64 . ILE . 34141 1 65 . LEU . 34141 1 66 . VAL . 34141 1 67 . GLY . 34141 1 68 . MET . 34141 1 69 . TYR . 34141 1 70 . ASP . 34141 1 71 . LYS . 34141 1 72 . LYS . 34141 1 73 . PRO . 34141 1 74 . ALA . 34141 1 75 . GLY . 34141 1 76 . GLU . 34141 1 77 . PHE . 34141 1 78 . ILE . 34141 1 79 . VAL . 34141 1 80 . THR . 34141 1 81 . ASP . 34141 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 34141 1 . SER 2 2 34141 1 . MET 3 3 34141 1 . LYS 4 4 34141 1 . TYR 5 5 34141 1 . LEU 6 6 34141 1 . ASN 7 7 34141 1 . VAL 8 8 34141 1 . LEU 9 9 34141 1 . ALA 10 10 34141 1 . LYS 11 11 34141 1 . ALA 12 12 34141 1 . LEU 13 13 34141 1 . TYR 14 14 34141 1 . ASP 15 15 34141 1 . ASN 16 16 34141 1 . VAL 17 17 34141 1 . ALA 18 18 34141 1 . GLU 19 19 34141 1 . SER 20 20 34141 1 . PRO 21 21 34141 1 . ASP 22 22 34141 1 . GLU 23 23 34141 1 . LEU 24 24 34141 1 . SER 25 25 34141 1 . PHE 26 26 34141 1 . ARG 27 27 34141 1 . LYS 28 28 34141 1 . GLY 29 29 34141 1 . ASP 30 30 34141 1 . ILE 31 31 34141 1 . MET 32 32 34141 1 . THR 33 33 34141 1 . VAL 34 34 34141 1 . LEU 35 35 34141 1 . GLU 36 36 34141 1 . ARG 37 37 34141 1 . ASP 38 38 34141 1 . THR 39 39 34141 1 . GLN 40 40 34141 1 . GLY 41 41 34141 1 . LEU 42 42 34141 1 . ASP 43 43 34141 1 . GLY 44 44 34141 1 . TRP 45 45 34141 1 . TRP 46 46 34141 1 . LEU 47 47 34141 1 . CYS 48 48 34141 1 . SER 49 49 34141 1 . LEU 50 50 34141 1 . HIS 51 51 34141 1 . GLY 52 52 34141 1 . ARG 53 53 34141 1 . GLN 54 54 34141 1 . GLY 55 55 34141 1 . ILE 56 56 34141 1 . VAL 57 57 34141 1 . PRO 58 58 34141 1 . GLY 59 59 34141 1 . ASN 60 60 34141 1 . ARG 61 61 34141 1 . LEU 62 62 34141 1 . LYS 63 63 34141 1 . ILE 64 64 34141 1 . LEU 65 65 34141 1 . VAL 66 66 34141 1 . GLY 67 67 34141 1 . MET 68 68 34141 1 . TYR 69 69 34141 1 . ASP 70 70 34141 1 . LYS 71 71 34141 1 . LYS 72 72 34141 1 . PRO 73 73 34141 1 . ALA 74 74 34141 1 . GLY 75 75 34141 1 . GLU 76 76 34141 1 . PHE 77 77 34141 1 . ILE 78 78 34141 1 . VAL 79 79 34141 1 . THR 80 80 34141 1 . ASP 81 81 34141 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 34141 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . BCAR1 . 34141 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 34141 _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 . . . . . . . . . . 34141 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34141 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25 mM sodium phosphate, 1 M TCEP, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.45 . . mM . . . . 34141 1 2 TCEP 'natural abundance' . . . . . . 1 . . M . . . . 34141 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34141 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 34141 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 34141 1 pH 7.5 . pH 34141 1 pressure 1 . atm 34141 1 temperature 298 . K 34141 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34141 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34141 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34141 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34141 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34141 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34141 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34141 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34141 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34141 3 processing 34141 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34141 _Software.ID 4 _Software.Name YASARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Krieger . . 34141 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34141 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 34141 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _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 34141 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 34141 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceII . 600 . . . 34141 1 2 NMR_spectrometer_2 Bruker Avance . 850 . . . 34141 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 34141 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34141 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34141 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34141 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34141 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34141 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 34141 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34141 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34141 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34141 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 34141 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34141 1 2 '3D HNCACB' . . . 34141 1 3 '3D CBCA(CO)NH' . . . 34141 1 4 '3D 1H-15N NOESY' . . . 34141 1 5 '3D 1H-13C NOESY' . . . 34141 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 MET C C 13 175.767 0.000 . . . . . A 3 MET C . 34141 1 2 . 1 1 3 3 MET CA C 13 55.539 0.000 . . . . . A 3 MET CA . 34141 1 3 . 1 1 3 3 MET CB C 13 32.598 0.000 . . . . . A 3 MET CB . 34141 1 4 . 1 1 4 4 LYS H H 1 8.200 0.002 . . . . . A 4 LYS H . 34141 1 5 . 1 1 4 4 LYS HA H 1 4.247 0.001 . . . . . A 4 LYS HA . 34141 1 6 . 1 1 4 4 LYS HB2 H 1 1.643 0.000 . . . . . A 4 LYS HB2 . 34141 1 7 . 1 1 4 4 LYS HB3 H 1 1.643 0.000 . . . . . A 4 LYS HB3 . 34141 1 8 . 1 1 4 4 LYS HG2 H 1 1.241 0.000 . . . . . A 4 LYS HG2 . 34141 1 9 . 1 1 4 4 LYS HG3 H 1 1.241 0.000 . . . . . A 4 LYS HG3 . 34141 1 10 . 1 1 4 4 LYS C C 13 176.069 0.000 . . . . . A 4 LYS C . 34141 1 11 . 1 1 4 4 LYS CA C 13 56.193 0.055 . . . . . A 4 LYS CA . 34141 1 12 . 1 1 4 4 LYS CB C 13 32.982 0.075 . . . . . A 4 LYS CB . 34141 1 13 . 1 1 4 4 LYS CG C 13 24.615 0.000 . . . . . A 4 LYS CG . 34141 1 14 . 1 1 4 4 LYS CD C 13 28.924 0.000 . . . . . A 4 LYS CD . 34141 1 15 . 1 1 4 4 LYS CE C 13 42.166 0.000 . . . . . A 4 LYS CE . 34141 1 16 . 1 1 4 4 LYS N N 15 122.688 0.008 . . . . . A 4 LYS N . 34141 1 17 . 1 1 5 5 TYR H H 1 8.031 0.001 . . . . . A 5 TYR H . 34141 1 18 . 1 1 5 5 TYR HA H 1 4.906 0.005 . . . . . A 5 TYR HA . 34141 1 19 . 1 1 5 5 TYR HB2 H 1 3.165 0.002 . . . . . A 5 TYR HB2 . 34141 1 20 . 1 1 5 5 TYR HB3 H 1 2.888 0.000 . . . . . A 5 TYR HB3 . 34141 1 21 . 1 1 5 5 TYR HD1 H 1 7.105 0.004 . . . . . A 5 TYR HD1 . 34141 1 22 . 1 1 5 5 TYR HD2 H 1 7.105 0.004 . . . . . A 5 TYR HD2 . 34141 1 23 . 1 1 5 5 TYR C C 13 176.193 0.010 . . . . . A 5 TYR C . 34141 1 24 . 1 1 5 5 TYR CA C 13 56.086 0.029 . . . . . A 5 TYR CA . 34141 1 25 . 1 1 5 5 TYR CB C 13 39.024 0.030 . . . . . A 5 TYR CB . 34141 1 26 . 1 1 5 5 TYR CD1 C 13 132.872 0.000 . . . . . A 5 TYR CD1 . 34141 1 27 . 1 1 5 5 TYR N N 15 120.716 0.010 . . . . . A 5 TYR N . 34141 1 28 . 1 1 6 6 LEU H H 1 8.501 0.001 . . . . . A 6 LEU H . 34141 1 29 . 1 1 6 6 LEU HA H 1 4.208 0.002 . . . . . A 6 LEU HA . 34141 1 30 . 1 1 6 6 LEU HB2 H 1 1.609 0.004 . . . . . A 6 LEU HB2 . 34141 1 31 . 1 1 6 6 LEU HB3 H 1 1.410 0.000 . . . . . A 6 LEU HB3 . 34141 1 32 . 1 1 6 6 LEU HG H 1 1.625 0.000 . . . . . A 6 LEU HG . 34141 1 33 . 1 1 6 6 LEU HD11 H 1 0.717 0.000 . . . . . A 6 LEU HD11 . 34141 1 34 . 1 1 6 6 LEU HD12 H 1 0.717 0.000 . . . . . A 6 LEU HD12 . 34141 1 35 . 1 1 6 6 LEU HD13 H 1 0.717 0.000 . . . . . A 6 LEU HD13 . 34141 1 36 . 1 1 6 6 LEU HD21 H 1 0.780 0.000 . . . . . A 6 LEU HD21 . 34141 1 37 . 1 1 6 6 LEU HD22 H 1 0.780 0.000 . . . . . A 6 LEU HD22 . 34141 1 38 . 1 1 6 6 LEU HD23 H 1 0.780 0.000 . . . . . A 6 LEU HD23 . 34141 1 39 . 1 1 6 6 LEU C C 13 176.870 0.004 . . . . . A 6 LEU C . 34141 1 40 . 1 1 6 6 LEU CA C 13 56.126 0.039 . . . . . A 6 LEU CA . 34141 1 41 . 1 1 6 6 LEU CB C 13 42.543 0.029 . . . . . A 6 LEU CB . 34141 1 42 . 1 1 6 6 LEU CG C 13 26.771 0.030 . . . . . A 6 LEU CG . 34141 1 43 . 1 1 6 6 LEU CD1 C 13 25.055 0.099 . . . . . A 6 LEU CD1 . 34141 1 44 . 1 1 6 6 LEU CD2 C 13 23.105 0.098 . . . . . A 6 LEU CD2 . 34141 1 45 . 1 1 6 6 LEU N N 15 121.778 0.006 . . . . . A 6 LEU N . 34141 1 46 . 1 1 7 7 ASN H H 1 8.112 0.001 . . . . . A 7 ASN H . 34141 1 47 . 1 1 7 7 ASN HA H 1 4.370 0.000 . . . . . A 7 ASN HA . 34141 1 48 . 1 1 7 7 ASN HB2 H 1 2.912 0.001 . . . . . A 7 ASN HB2 . 34141 1 49 . 1 1 7 7 ASN HB3 H 1 2.762 0.000 . . . . . A 7 ASN HB3 . 34141 1 50 . 1 1 7 7 ASN HD21 H 1 7.399 0.000 . . . . . A 7 ASN HD21 . 34141 1 51 . 1 1 7 7 ASN HD22 H 1 6.747 0.000 . . . . . A 7 ASN HD22 . 34141 1 52 . 1 1 7 7 ASN C C 13 174.271 0.012 . . . . . A 7 ASN C . 34141 1 53 . 1 1 7 7 ASN CA C 13 53.890 0.022 . . . . . A 7 ASN CA . 34141 1 54 . 1 1 7 7 ASN CB C 13 37.898 0.042 . . . . . A 7 ASN CB . 34141 1 55 . 1 1 7 7 ASN N N 15 115.130 0.016 . . . . . A 7 ASN N . 34141 1 56 . 1 1 7 7 ASN ND2 N 15 111.712 0.000 . . . . . A 7 ASN ND2 . 34141 1 57 . 1 1 8 8 VAL H H 1 7.498 0.001 . . . . . A 8 VAL H . 34141 1 58 . 1 1 8 8 VAL HA H 1 4.444 0.000 . . . . . A 8 VAL HA . 34141 1 59 . 1 1 8 8 VAL HB H 1 2.071 0.002 . . . . . A 8 VAL HB . 34141 1 60 . 1 1 8 8 VAL HG11 H 1 0.851 0.000 . . . . . A 8 VAL HG11 . 34141 1 61 . 1 1 8 8 VAL HG12 H 1 0.851 0.000 . . . . . A 8 VAL HG12 . 34141 1 62 . 1 1 8 8 VAL HG13 H 1 0.851 0.000 . . . . . A 8 VAL HG13 . 34141 1 63 . 1 1 8 8 VAL HG21 H 1 0.814 0.000 . . . . . A 8 VAL HG21 . 34141 1 64 . 1 1 8 8 VAL HG22 H 1 0.814 0.000 . . . . . A 8 VAL HG22 . 34141 1 65 . 1 1 8 8 VAL HG23 H 1 0.814 0.000 . . . . . A 8 VAL HG23 . 34141 1 66 . 1 1 8 8 VAL C C 13 174.084 0.002 . . . . . A 8 VAL C . 34141 1 67 . 1 1 8 8 VAL CA C 13 60.514 0.049 . . . . . A 8 VAL CA . 34141 1 68 . 1 1 8 8 VAL CB C 13 33.720 0.028 . . . . . A 8 VAL CB . 34141 1 69 . 1 1 8 8 VAL CG1 C 13 21.501 0.000 . . . . . A 8 VAL CG1 . 34141 1 70 . 1 1 8 8 VAL CG2 C 13 20.467 0.000 . . . . . A 8 VAL CG2 . 34141 1 71 . 1 1 8 8 VAL N N 15 115.959 0.012 . . . . . A 8 VAL N . 34141 1 72 . 1 1 9 9 LEU H H 1 8.301 0.003 . . . . . A 9 LEU H . 34141 1 73 . 1 1 9 9 LEU HA H 1 5.133 0.000 . . . . . A 9 LEU HA . 34141 1 74 . 1 1 9 9 LEU HB2 H 1 1.714 0.000 . . . . . A 9 LEU HB2 . 34141 1 75 . 1 1 9 9 LEU HB3 H 1 1.233 0.000 . . . . . A 9 LEU HB3 . 34141 1 76 . 1 1 9 9 LEU HG H 1 1.589 0.000 . . . . . A 9 LEU HG . 34141 1 77 . 1 1 9 9 LEU HD11 H 1 0.790 0.000 . . . . . A 9 LEU HD11 . 34141 1 78 . 1 1 9 9 LEU HD12 H 1 0.790 0.000 . . . . . A 9 LEU HD12 . 34141 1 79 . 1 1 9 9 LEU HD13 H 1 0.790 0.000 . . . . . A 9 LEU HD13 . 34141 1 80 . 1 1 9 9 LEU HD21 H 1 0.710 0.000 . . . . . A 9 LEU HD21 . 34141 1 81 . 1 1 9 9 LEU HD22 H 1 0.710 0.000 . . . . . A 9 LEU HD22 . 34141 1 82 . 1 1 9 9 LEU HD23 H 1 0.710 0.000 . . . . . A 9 LEU HD23 . 34141 1 83 . 1 1 9 9 LEU C C 13 176.118 0.000 . . . . . A 9 LEU C . 34141 1 84 . 1 1 9 9 LEU CA C 13 53.984 0.034 . . . . . A 9 LEU CA . 34141 1 85 . 1 1 9 9 LEU CB C 13 44.426 0.043 . . . . . A 9 LEU CB . 34141 1 86 . 1 1 9 9 LEU CG C 13 26.986 0.051 . . . . . A 9 LEU CG . 34141 1 87 . 1 1 9 9 LEU CD1 C 13 25.522 0.000 . . . . . A 9 LEU CD1 . 34141 1 88 . 1 1 9 9 LEU CD2 C 13 23.326 0.000 . . . . . A 9 LEU CD2 . 34141 1 89 . 1 1 9 9 LEU N N 15 124.145 0.013 . . . . . A 9 LEU N . 34141 1 90 . 1 1 10 10 ALA H H 1 9.093 0.002 . . . . . A 10 ALA H . 34141 1 91 . 1 1 10 10 ALA HA H 1 5.108 0.000 . . . . . A 10 ALA HA . 34141 1 92 . 1 1 10 10 ALA HB1 H 1 1.122 0.000 . . . . . A 10 ALA HB1 . 34141 1 93 . 1 1 10 10 ALA HB2 H 1 1.122 0.000 . . . . . A 10 ALA HB2 . 34141 1 94 . 1 1 10 10 ALA HB3 H 1 1.122 0.000 . . . . . A 10 ALA HB3 . 34141 1 95 . 1 1 10 10 ALA C C 13 174.218 0.003 . . . . . A 10 ALA C . 34141 1 96 . 1 1 10 10 ALA CA C 13 50.353 0.021 . . . . . A 10 ALA CA . 34141 1 97 . 1 1 10 10 ALA CB C 13 24.770 0.047 . . . . . A 10 ALA CB . 34141 1 98 . 1 1 10 10 ALA N N 15 120.758 0.006 . . . . . A 10 ALA N . 34141 1 99 . 1 1 11 11 LYS H H 1 8.860 0.001 . . . . . A 11 LYS H . 34141 1 100 . 1 1 11 11 LYS HA H 1 5.189 0.000 . . . . . A 11 LYS HA . 34141 1 101 . 1 1 11 11 LYS HB2 H 1 1.603 0.000 . . . . . A 11 LYS HB2 . 34141 1 102 . 1 1 11 11 LYS HB3 H 1 1.473 0.000 . . . . . A 11 LYS HB3 . 34141 1 103 . 1 1 11 11 LYS HG2 H 1 1.259 0.000 . . . . . A 11 LYS HG2 . 34141 1 104 . 1 1 11 11 LYS HG3 H 1 1.201 0.000 . . . . . A 11 LYS HG3 . 34141 1 105 . 1 1 11 11 LYS HD2 H 1 1.621 0.000 . . . . . A 11 LYS HD2 . 34141 1 106 . 1 1 11 11 LYS HD3 H 1 1.621 0.000 . . . . . A 11 LYS HD3 . 34141 1 107 . 1 1 11 11 LYS HE2 H 1 2.875 0.000 . . . . . A 11 LYS HE2 . 34141 1 108 . 1 1 11 11 LYS HE3 H 1 2.875 0.000 . . . . . A 11 LYS HE3 . 34141 1 109 . 1 1 11 11 LYS C C 13 175.831 0.001 . . . . . A 11 LYS C . 34141 1 110 . 1 1 11 11 LYS CA C 13 53.374 0.058 . . . . . A 11 LYS CA . 34141 1 111 . 1 1 11 11 LYS CB C 13 36.938 0.049 . . . . . A 11 LYS CB . 34141 1 112 . 1 1 11 11 LYS CG C 13 24.643 0.011 . . . . . A 11 LYS CG . 34141 1 113 . 1 1 11 11 LYS CD C 13 29.954 0.000 . . . . . A 11 LYS CD . 34141 1 114 . 1 1 11 11 LYS CE C 13 41.904 0.000 . . . . . A 11 LYS CE . 34141 1 115 . 1 1 11 11 LYS N N 15 120.131 0.003 . . . . . A 11 LYS N . 34141 1 116 . 1 1 12 12 ALA H H 1 8.999 0.001 . . . . . A 12 ALA H . 34141 1 117 . 1 1 12 12 ALA HA H 1 4.436 0.000 . . . . . A 12 ALA HA . 34141 1 118 . 1 1 12 12 ALA HB1 H 1 1.523 0.000 . . . . . A 12 ALA HB1 . 34141 1 119 . 1 1 12 12 ALA HB2 H 1 1.523 0.000 . . . . . A 12 ALA HB2 . 34141 1 120 . 1 1 12 12 ALA HB3 H 1 1.523 0.000 . . . . . A 12 ALA HB3 . 34141 1 121 . 1 1 12 12 ALA C C 13 179.344 0.003 . . . . . A 12 ALA C . 34141 1 122 . 1 1 12 12 ALA CA C 13 52.356 0.033 . . . . . A 12 ALA CA . 34141 1 123 . 1 1 12 12 ALA CB C 13 20.950 0.044 . . . . . A 12 ALA CB . 34141 1 124 . 1 1 12 12 ALA N N 15 126.715 0.013 . . . . . A 12 ALA N . 34141 1 125 . 1 1 13 13 LEU H H 1 9.240 0.001 . . . . . A 13 LEU H . 34141 1 126 . 1 1 13 13 LEU HA H 1 4.056 0.000 . . . . . A 13 LEU HA . 34141 1 127 . 1 1 13 13 LEU HB2 H 1 1.396 0.000 . . . . . A 13 LEU HB2 . 34141 1 128 . 1 1 13 13 LEU HB3 H 1 1.001 0.000 . . . . . A 13 LEU HB3 . 34141 1 129 . 1 1 13 13 LEU HG H 1 1.407 0.000 . . . . . A 13 LEU HG . 34141 1 130 . 1 1 13 13 LEU HD11 H 1 0.741 0.000 . . . . . A 13 LEU HD11 . 34141 1 131 . 1 1 13 13 LEU HD12 H 1 0.741 0.000 . . . . . A 13 LEU HD12 . 34141 1 132 . 1 1 13 13 LEU HD13 H 1 0.741 0.000 . . . . . A 13 LEU HD13 . 34141 1 133 . 1 1 13 13 LEU HD21 H 1 0.691 0.000 . . . . . A 13 LEU HD21 . 34141 1 134 . 1 1 13 13 LEU HD22 H 1 0.691 0.000 . . . . . A 13 LEU HD22 . 34141 1 135 . 1 1 13 13 LEU HD23 H 1 0.691 0.000 . . . . . A 13 LEU HD23 . 34141 1 136 . 1 1 13 13 LEU C C 13 174.745 0.006 . . . . . A 13 LEU C . 34141 1 137 . 1 1 13 13 LEU CA C 13 55.360 0.052 . . . . . A 13 LEU CA . 34141 1 138 . 1 1 13 13 LEU CB C 13 43.540 0.034 . . . . . A 13 LEU CB . 34141 1 139 . 1 1 13 13 LEU CG C 13 26.728 0.000 . . . . . A 13 LEU CG . 34141 1 140 . 1 1 13 13 LEU CD1 C 13 25.600 0.000 . . . . . A 13 LEU CD1 . 34141 1 141 . 1 1 13 13 LEU CD2 C 13 22.044 0.000 . . . . . A 13 LEU CD2 . 34141 1 142 . 1 1 13 13 LEU N N 15 126.285 0.009 . . . . . A 13 LEU N . 34141 1 143 . 1 1 14 14 TYR H H 1 7.319 0.002 . . . . . A 14 TYR H . 34141 1 144 . 1 1 14 14 TYR HA H 1 4.699 0.000 . . . . . A 14 TYR HA . 34141 1 145 . 1 1 14 14 TYR HB2 H 1 2.359 0.005 . . . . . A 14 TYR HB2 . 34141 1 146 . 1 1 14 14 TYR HB3 H 1 3.460 0.000 . . . . . A 14 TYR HB3 . 34141 1 147 . 1 1 14 14 TYR HD1 H 1 7.109 0.004 . . . . . A 14 TYR HD1 . 34141 1 148 . 1 1 14 14 TYR HD2 H 1 7.109 0.004 . . . . . A 14 TYR HD2 . 34141 1 149 . 1 1 14 14 TYR HE1 H 1 6.811 0.004 . . . . . A 14 TYR HE1 . 34141 1 150 . 1 1 14 14 TYR HE2 H 1 6.811 0.004 . . . . . A 14 TYR HE2 . 34141 1 151 . 1 1 14 14 TYR C C 13 173.689 0.001 . . . . . A 14 TYR C . 34141 1 152 . 1 1 14 14 TYR CA C 13 55.340 0.056 . . . . . A 14 TYR CA . 34141 1 153 . 1 1 14 14 TYR CB C 13 44.134 0.014 . . . . . A 14 TYR CB . 34141 1 154 . 1 1 14 14 TYR CD1 C 13 133.393 0.000 . . . . . A 14 TYR CD1 . 34141 1 155 . 1 1 14 14 TYR N N 15 112.666 0.012 . . . . . A 14 TYR N . 34141 1 156 . 1 1 15 15 ASP H H 1 8.367 0.001 . . . . . A 15 ASP H . 34141 1 157 . 1 1 15 15 ASP HA H 1 4.592 0.012 . . . . . A 15 ASP HA . 34141 1 158 . 1 1 15 15 ASP HB2 H 1 2.678 0.007 . . . . . A 15 ASP HB2 . 34141 1 159 . 1 1 15 15 ASP HB3 H 1 2.558 0.003 . . . . . A 15 ASP HB3 . 34141 1 160 . 1 1 15 15 ASP C C 13 176.025 0.001 . . . . . A 15 ASP C . 34141 1 161 . 1 1 15 15 ASP CA C 13 54.538 0.045 . . . . . A 15 ASP CA . 34141 1 162 . 1 1 15 15 ASP CB C 13 41.970 0.156 . . . . . A 15 ASP CB . 34141 1 163 . 1 1 15 15 ASP N N 15 117.167 0.008 . . . . . A 15 ASP N . 34141 1 164 . 1 1 16 16 ASN H H 1 8.505 0.001 . . . . . A 16 ASN H . 34141 1 165 . 1 1 16 16 ASN HA H 1 4.581 0.000 . . . . . A 16 ASN HA . 34141 1 166 . 1 1 16 16 ASN HB2 H 1 1.361 0.004 . . . . . A 16 ASN HB2 . 34141 1 167 . 1 1 16 16 ASN HB3 H 1 0.824 0.000 . . . . . A 16 ASN HB3 . 34141 1 168 . 1 1 16 16 ASN HD21 H 1 7.995 0.000 . . . . . A 16 ASN HD21 . 34141 1 169 . 1 1 16 16 ASN HD22 H 1 7.092 0.000 . . . . . A 16 ASN HD22 . 34141 1 170 . 1 1 16 16 ASN C C 13 173.240 0.002 . . . . . A 16 ASN C . 34141 1 171 . 1 1 16 16 ASN CA C 13 54.117 0.040 . . . . . A 16 ASN CA . 34141 1 172 . 1 1 16 16 ASN CB C 13 43.656 0.015 . . . . . A 16 ASN CB . 34141 1 173 . 1 1 16 16 ASN N N 15 118.422 0.012 . . . . . A 16 ASN N . 34141 1 174 . 1 1 16 16 ASN ND2 N 15 115.255 0.000 . . . . . A 16 ASN ND2 . 34141 1 175 . 1 1 17 17 VAL H H 1 8.587 0.001 . . . . . A 17 VAL H . 34141 1 176 . 1 1 17 17 VAL HA H 1 4.065 0.000 . . . . . A 17 VAL HA . 34141 1 177 . 1 1 17 17 VAL HB H 1 1.896 0.000 . . . . . A 17 VAL HB . 34141 1 178 . 1 1 17 17 VAL HG11 H 1 0.848 0.000 . . . . . A 17 VAL HG11 . 34141 1 179 . 1 1 17 17 VAL HG12 H 1 0.848 0.000 . . . . . A 17 VAL HG12 . 34141 1 180 . 1 1 17 17 VAL HG13 H 1 0.848 0.000 . . . . . A 17 VAL HG13 . 34141 1 181 . 1 1 17 17 VAL HG21 H 1 0.848 0.000 . . . . . A 17 VAL HG21 . 34141 1 182 . 1 1 17 17 VAL HG22 H 1 0.848 0.000 . . . . . A 17 VAL HG22 . 34141 1 183 . 1 1 17 17 VAL HG23 H 1 0.848 0.000 . . . . . A 17 VAL HG23 . 34141 1 184 . 1 1 17 17 VAL C C 13 174.958 0.002 . . . . . A 17 VAL C . 34141 1 185 . 1 1 17 17 VAL CA C 13 61.514 0.020 . . . . . A 17 VAL CA . 34141 1 186 . 1 1 17 17 VAL CB C 13 32.009 0.040 . . . . . A 17 VAL CB . 34141 1 187 . 1 1 17 17 VAL CG1 C 13 20.740 0.000 . . . . . A 17 VAL CG1 . 34141 1 188 . 1 1 17 17 VAL N N 15 129.212 0.013 . . . . . A 17 VAL N . 34141 1 189 . 1 1 18 18 ALA H H 1 8.300 0.001 . . . . . A 18 ALA H . 34141 1 190 . 1 1 18 18 ALA HA H 1 3.982 0.001 . . . . . A 18 ALA HA . 34141 1 191 . 1 1 18 18 ALA HB1 H 1 1.278 0.002 . . . . . A 18 ALA HB1 . 34141 1 192 . 1 1 18 18 ALA HB2 H 1 1.278 0.002 . . . . . A 18 ALA HB2 . 34141 1 193 . 1 1 18 18 ALA HB3 H 1 1.278 0.002 . . . . . A 18 ALA HB3 . 34141 1 194 . 1 1 18 18 ALA C C 13 178.048 0.002 . . . . . A 18 ALA C . 34141 1 195 . 1 1 18 18 ALA CA C 13 52.993 0.040 . . . . . A 18 ALA CA . 34141 1 196 . 1 1 18 18 ALA CB C 13 20.755 0.039 . . . . . A 18 ALA CB . 34141 1 197 . 1 1 18 18 ALA N N 15 129.736 0.009 . . . . . A 18 ALA N . 34141 1 198 . 1 1 19 19 GLU H H 1 8.743 0.001 . . . . . A 19 GLU H . 34141 1 199 . 1 1 19 19 GLU HA H 1 4.391 0.000 . . . . . A 19 GLU HA . 34141 1 200 . 1 1 19 19 GLU HB2 H 1 2.215 0.004 . . . . . A 19 GLU HB2 . 34141 1 201 . 1 1 19 19 GLU HB3 H 1 2.004 0.000 . . . . . A 19 GLU HB3 . 34141 1 202 . 1 1 19 19 GLU HG2 H 1 2.387 0.000 . . . . . A 19 GLU HG2 . 34141 1 203 . 1 1 19 19 GLU HG3 H 1 2.217 0.000 . . . . . A 19 GLU HG3 . 34141 1 204 . 1 1 19 19 GLU C C 13 175.909 0.002 . . . . . A 19 GLU C . 34141 1 205 . 1 1 19 19 GLU CA C 13 56.406 0.046 . . . . . A 19 GLU CA . 34141 1 206 . 1 1 19 19 GLU CB C 13 31.143 0.062 . . . . . A 19 GLU CB . 34141 1 207 . 1 1 19 19 GLU CG C 13 36.668 0.072 . . . . . A 19 GLU CG . 34141 1 208 . 1 1 19 19 GLU N N 15 120.994 0.004 . . . . . A 19 GLU N . 34141 1 209 . 1 1 20 20 SER H H 1 7.731 0.001 . . . . . A 20 SER H . 34141 1 210 . 1 1 20 20 SER HA H 1 4.936 0.000 . . . . . A 20 SER HA . 34141 1 211 . 1 1 20 20 SER HB2 H 1 3.795 0.000 . . . . . A 20 SER HB2 . 34141 1 212 . 1 1 20 20 SER HB3 H 1 4.002 0.001 . . . . . A 20 SER HB3 . 34141 1 213 . 1 1 20 20 SER C C 13 173.999 0.000 . . . . . A 20 SER C . 34141 1 214 . 1 1 20 20 SER CA C 13 56.078 0.009 . . . . . A 20 SER CA . 34141 1 215 . 1 1 20 20 SER CB C 13 64.235 0.041 . . . . . A 20 SER CB . 34141 1 216 . 1 1 20 20 SER N N 15 115.191 0.010 . . . . . A 20 SER N . 34141 1 217 . 1 1 21 21 PRO HA H 1 4.456 0.004 . . . . . A 21 PRO HA . 34141 1 218 . 1 1 21 21 PRO HB2 H 1 2.391 0.001 . . . . . A 21 PRO HB2 . 34141 1 219 . 1 1 21 21 PRO HB3 H 1 1.967 0.000 . . . . . A 21 PRO HB3 . 34141 1 220 . 1 1 21 21 PRO HG2 H 1 2.060 0.000 . . . . . A 21 PRO HG2 . 34141 1 221 . 1 1 21 21 PRO HG3 H 1 2.008 0.000 . . . . . A 21 PRO HG3 . 34141 1 222 . 1 1 21 21 PRO HD2 H 1 3.846 0.003 . . . . . A 21 PRO HD2 . 34141 1 223 . 1 1 21 21 PRO HD3 H 1 3.846 0.003 . . . . . A 21 PRO HD3 . 34141 1 224 . 1 1 21 21 PRO C C 13 176.685 0.001 . . . . . A 21 PRO C . 34141 1 225 . 1 1 21 21 PRO CA C 13 64.682 0.053 . . . . . A 21 PRO CA . 34141 1 226 . 1 1 21 21 PRO CB C 13 32.036 0.038 . . . . . A 21 PRO CB . 34141 1 227 . 1 1 21 21 PRO CG C 13 27.447 0.006 . . . . . A 21 PRO CG . 34141 1 228 . 1 1 21 21 PRO CD C 13 51.036 0.018 . . . . . A 21 PRO CD . 34141 1 229 . 1 1 22 22 ASP H H 1 8.051 0.001 . . . . . A 22 ASP H . 34141 1 230 . 1 1 22 22 ASP HA H 1 4.632 0.000 . . . . . A 22 ASP HA . 34141 1 231 . 1 1 22 22 ASP HB2 H 1 2.490 0.000 . . . . . A 22 ASP HB2 . 34141 1 232 . 1 1 22 22 ASP HB3 H 1 2.758 0.003 . . . . . A 22 ASP HB3 . 34141 1 233 . 1 1 22 22 ASP C C 13 175.769 0.001 . . . . . A 22 ASP C . 34141 1 234 . 1 1 22 22 ASP CA C 13 54.695 0.089 . . . . . A 22 ASP CA . 34141 1 235 . 1 1 22 22 ASP CB C 13 41.064 0.052 . . . . . A 22 ASP CB . 34141 1 236 . 1 1 22 22 ASP N N 15 114.722 0.011 . . . . . A 22 ASP N . 34141 1 237 . 1 1 23 23 GLU H H 1 7.522 0.001 . . . . . A 23 GLU H . 34141 1 238 . 1 1 23 23 GLU HA H 1 4.997 0.000 . . . . . A 23 GLU HA . 34141 1 239 . 1 1 23 23 GLU HB2 H 1 2.256 0.002 . . . . . A 23 GLU HB2 . 34141 1 240 . 1 1 23 23 GLU HB3 H 1 1.954 0.000 . . . . . A 23 GLU HB3 . 34141 1 241 . 1 1 23 23 GLU HG2 H 1 2.490 0.000 . . . . . A 23 GLU HG2 . 34141 1 242 . 1 1 23 23 GLU HG3 H 1 2.374 0.000 . . . . . A 23 GLU HG3 . 34141 1 243 . 1 1 23 23 GLU C C 13 175.448 0.002 . . . . . A 23 GLU C . 34141 1 244 . 1 1 23 23 GLU CA C 13 54.784 0.039 . . . . . A 23 GLU CA . 34141 1 245 . 1 1 23 23 GLU CB C 13 32.816 0.042 . . . . . A 23 GLU CB . 34141 1 246 . 1 1 23 23 GLU CG C 13 36.532 0.028 . . . . . A 23 GLU CG . 34141 1 247 . 1 1 23 23 GLU N N 15 121.319 0.009 . . . . . A 23 GLU N . 34141 1 248 . 1 1 24 24 LEU H H 1 7.855 0.001 . . . . . A 24 LEU H . 34141 1 249 . 1 1 24 24 LEU HA H 1 4.611 0.000 . . . . . A 24 LEU HA . 34141 1 250 . 1 1 24 24 LEU HB2 H 1 1.593 0.001 . . . . . A 24 LEU HB2 . 34141 1 251 . 1 1 24 24 LEU HB3 H 1 1.524 0.000 . . . . . A 24 LEU HB3 . 34141 1 252 . 1 1 24 24 LEU HG H 1 1.464 0.000 . . . . . A 24 LEU HG . 34141 1 253 . 1 1 24 24 LEU HD11 H 1 0.804 0.000 . . . . . A 24 LEU HD11 . 34141 1 254 . 1 1 24 24 LEU HD12 H 1 0.804 0.000 . . . . . A 24 LEU HD12 . 34141 1 255 . 1 1 24 24 LEU HD13 H 1 0.804 0.000 . . . . . A 24 LEU HD13 . 34141 1 256 . 1 1 24 24 LEU HD21 H 1 0.803 0.000 . . . . . A 24 LEU HD21 . 34141 1 257 . 1 1 24 24 LEU HD22 H 1 0.803 0.000 . . . . . A 24 LEU HD22 . 34141 1 258 . 1 1 24 24 LEU HD23 H 1 0.803 0.000 . . . . . A 24 LEU HD23 . 34141 1 259 . 1 1 24 24 LEU C C 13 176.928 0.005 . . . . . A 24 LEU C . 34141 1 260 . 1 1 24 24 LEU CA C 13 54.390 0.069 . . . . . A 24 LEU CA . 34141 1 261 . 1 1 24 24 LEU CB C 13 44.248 0.039 . . . . . A 24 LEU CB . 34141 1 262 . 1 1 24 24 LEU CG C 13 26.860 0.000 . . . . . A 24 LEU CG . 34141 1 263 . 1 1 24 24 LEU CD1 C 13 25.653 0.000 . . . . . A 24 LEU CD1 . 34141 1 264 . 1 1 24 24 LEU CD2 C 13 23.457 0.000 . . . . . A 24 LEU CD2 . 34141 1 265 . 1 1 24 24 LEU N N 15 121.193 0.008 . . . . . A 24 LEU N . 34141 1 266 . 1 1 25 25 SER H H 1 8.203 0.001 . . . . . A 25 SER H . 34141 1 267 . 1 1 25 25 SER HA H 1 4.752 0.000 . . . . . A 25 SER HA . 34141 1 268 . 1 1 25 25 SER HB2 H 1 4.054 0.000 . . . . . A 25 SER HB2 . 34141 1 269 . 1 1 25 25 SER HB3 H 1 3.829 0.000 . . . . . A 25 SER HB3 . 34141 1 270 . 1 1 25 25 SER C C 13 173.493 0.091 . . . . . A 25 SER C . 34141 1 271 . 1 1 25 25 SER CA C 13 58.021 0.031 . . . . . A 25 SER CA . 34141 1 272 . 1 1 25 25 SER CB C 13 64.578 0.077 . . . . . A 25 SER CB . 34141 1 273 . 1 1 25 25 SER N N 15 118.312 0.011 . . . . . A 25 SER N . 34141 1 274 . 1 1 26 26 PHE H H 1 8.517 0.002 . . . . . A 26 PHE H . 34141 1 275 . 1 1 26 26 PHE HA H 1 4.864 0.000 . . . . . A 26 PHE HA . 34141 1 276 . 1 1 26 26 PHE HB2 H 1 3.367 0.003 . . . . . A 26 PHE HB2 . 34141 1 277 . 1 1 26 26 PHE HB3 H 1 3.367 0.003 . . . . . A 26 PHE HB3 . 34141 1 278 . 1 1 26 26 PHE HD1 H 1 6.825 0.010 . . . . . A 26 PHE HD1 . 34141 1 279 . 1 1 26 26 PHE HD2 H 1 6.825 0.010 . . . . . A 26 PHE HD2 . 34141 1 280 . 1 1 26 26 PHE HE1 H 1 7.341 0.000 . . . . . A 26 PHE HE1 . 34141 1 281 . 1 1 26 26 PHE HE2 H 1 7.341 0.000 . . . . . A 26 PHE HE2 . 34141 1 282 . 1 1 26 26 PHE C C 13 173.623 0.001 . . . . . A 26 PHE C . 34141 1 283 . 1 1 26 26 PHE CA C 13 56.597 0.047 . . . . . A 26 PHE CA . 34141 1 284 . 1 1 26 26 PHE CB C 13 39.401 0.042 . . . . . A 26 PHE CB . 34141 1 285 . 1 1 26 26 PHE CD1 C 13 133.378 0.000 . . . . . A 26 PHE CD1 . 34141 1 286 . 1 1 26 26 PHE CE1 C 13 132.063 0.000 . . . . . A 26 PHE CE1 . 34141 1 287 . 1 1 26 26 PHE N N 15 116.520 0.028 . . . . . A 26 PHE N . 34141 1 288 . 1 1 27 27 ARG H H 1 9.514 0.001 . . . . . A 27 ARG H . 34141 1 289 . 1 1 27 27 ARG HA H 1 5.051 0.000 . . . . . A 27 ARG HA . 34141 1 290 . 1 1 27 27 ARG HB2 H 1 1.862 0.000 . . . . . A 27 ARG HB2 . 34141 1 291 . 1 1 27 27 ARG HB3 H 1 1.787 0.000 . . . . . A 27 ARG HB3 . 34141 1 292 . 1 1 27 27 ARG HG2 H 1 1.732 0.000 . . . . . A 27 ARG HG2 . 34141 1 293 . 1 1 27 27 ARG HG3 H 1 1.648 0.000 . . . . . A 27 ARG HG3 . 34141 1 294 . 1 1 27 27 ARG HD2 H 1 3.215 0.000 . . . . . A 27 ARG HD2 . 34141 1 295 . 1 1 27 27 ARG HD3 H 1 3.215 0.000 . . . . . A 27 ARG HD3 . 34141 1 296 . 1 1 27 27 ARG C C 13 175.563 0.001 . . . . . A 27 ARG C . 34141 1 297 . 1 1 27 27 ARG CA C 13 53.227 0.051 . . . . . A 27 ARG CA . 34141 1 298 . 1 1 27 27 ARG CB C 13 32.918 0.030 . . . . . A 27 ARG CB . 34141 1 299 . 1 1 27 27 ARG CG C 13 27.022 0.145 . . . . . A 27 ARG CG . 34141 1 300 . 1 1 27 27 ARG CD C 13 43.072 0.000 . . . . . A 27 ARG CD . 34141 1 301 . 1 1 27 27 ARG N N 15 121.428 0.007 . . . . . A 27 ARG N . 34141 1 302 . 1 1 28 28 LYS H H 1 9.057 0.001 . . . . . A 28 LYS H . 34141 1 303 . 1 1 28 28 LYS HA H 1 3.319 0.000 . . . . . A 28 LYS HA . 34141 1 304 . 1 1 28 28 LYS HB2 H 1 1.624 0.000 . . . . . A 28 LYS HB2 . 34141 1 305 . 1 1 28 28 LYS HB3 H 1 1.459 0.002 . . . . . A 28 LYS HB3 . 34141 1 306 . 1 1 28 28 LYS HG2 H 1 1.134 0.000 . . . . . A 28 LYS HG2 . 34141 1 307 . 1 1 28 28 LYS HG3 H 1 1.064 0.000 . . . . . A 28 LYS HG3 . 34141 1 308 . 1 1 28 28 LYS HD2 H 1 1.613 0.000 . . . . . A 28 LYS HD2 . 34141 1 309 . 1 1 28 28 LYS HD3 H 1 1.613 0.000 . . . . . A 28 LYS HD3 . 34141 1 310 . 1 1 28 28 LYS HE2 H 1 2.917 0.000 . . . . . A 28 LYS HE2 . 34141 1 311 . 1 1 28 28 LYS HE3 H 1 2.917 0.000 . . . . . A 28 LYS HE3 . 34141 1 312 . 1 1 28 28 LYS C C 13 177.176 0.002 . . . . . A 28 LYS C . 34141 1 313 . 1 1 28 28 LYS CA C 13 58.824 0.049 . . . . . A 28 LYS CA . 34141 1 314 . 1 1 28 28 LYS CB C 13 32.551 0.053 . . . . . A 28 LYS CB . 34141 1 315 . 1 1 28 28 LYS CG C 13 24.624 0.036 . . . . . A 28 LYS CG . 34141 1 316 . 1 1 28 28 LYS CD C 13 29.782 0.000 . . . . . A 28 LYS CD . 34141 1 317 . 1 1 28 28 LYS CE C 13 41.974 0.000 . . . . . A 28 LYS CE . 34141 1 318 . 1 1 28 28 LYS N N 15 121.907 0.004 . . . . . A 28 LYS N . 34141 1 319 . 1 1 29 29 GLY H H 1 8.889 0.001 . . . . . A 29 GLY H . 34141 1 320 . 1 1 29 29 GLY HA2 H 1 4.533 0.000 . . . . . A 29 GLY HA2 . 34141 1 321 . 1 1 29 29 GLY HA3 H 1 3.374 0.000 . . . . . A 29 GLY HA3 . 34141 1 322 . 1 1 29 29 GLY C C 13 174.150 0.006 . . . . . A 29 GLY C . 34141 1 323 . 1 1 29 29 GLY CA C 13 44.955 0.040 . . . . . A 29 GLY CA . 34141 1 324 . 1 1 29 29 GLY N N 15 115.442 0.006 . . . . . A 29 GLY N . 34141 1 325 . 1 1 30 30 ASP H H 1 8.476 0.001 . . . . . A 30 ASP H . 34141 1 326 . 1 1 30 30 ASP HA H 1 4.584 0.000 . . . . . A 30 ASP HA . 34141 1 327 . 1 1 30 30 ASP HB2 H 1 2.825 0.004 . . . . . A 30 ASP HB2 . 34141 1 328 . 1 1 30 30 ASP HB3 H 1 2.398 0.000 . . . . . A 30 ASP HB3 . 34141 1 329 . 1 1 30 30 ASP C C 13 175.009 0.008 . . . . . A 30 ASP C . 34141 1 330 . 1 1 30 30 ASP CA C 13 56.203 0.035 . . . . . A 30 ASP CA . 34141 1 331 . 1 1 30 30 ASP CB C 13 41.564 0.033 . . . . . A 30 ASP CB . 34141 1 332 . 1 1 30 30 ASP N N 15 122.647 0.004 . . . . . A 30 ASP N . 34141 1 333 . 1 1 31 31 ILE H H 1 8.166 0.000 . . . . . A 31 ILE H . 34141 1 334 . 1 1 31 31 ILE HA H 1 4.948 0.000 . . . . . A 31 ILE HA . 34141 1 335 . 1 1 31 31 ILE HB H 1 1.766 0.000 . . . . . A 31 ILE HB . 34141 1 336 . 1 1 31 31 ILE HG12 H 1 1.699 0.000 . . . . . A 31 ILE HG12 . 34141 1 337 . 1 1 31 31 ILE HG13 H 1 1.078 0.000 . . . . . A 31 ILE HG13 . 34141 1 338 . 1 1 31 31 ILE HG21 H 1 0.838 0.000 . . . . . A 31 ILE HG21 . 34141 1 339 . 1 1 31 31 ILE HG22 H 1 0.838 0.000 . . . . . A 31 ILE HG22 . 34141 1 340 . 1 1 31 31 ILE HG23 H 1 0.838 0.000 . . . . . A 31 ILE HG23 . 34141 1 341 . 1 1 31 31 ILE HD11 H 1 0.822 0.000 . . . . . A 31 ILE HD11 . 34141 1 342 . 1 1 31 31 ILE HD12 H 1 0.822 0.000 . . . . . A 31 ILE HD12 . 34141 1 343 . 1 1 31 31 ILE HD13 H 1 0.822 0.000 . . . . . A 31 ILE HD13 . 34141 1 344 . 1 1 31 31 ILE C C 13 175.182 0.002 . . . . . A 31 ILE C . 34141 1 345 . 1 1 31 31 ILE CA C 13 59.425 0.048 . . . . . A 31 ILE CA . 34141 1 346 . 1 1 31 31 ILE CB C 13 38.619 0.091 . . . . . A 31 ILE CB . 34141 1 347 . 1 1 31 31 ILE CG1 C 13 27.598 0.034 . . . . . A 31 ILE CG1 . 34141 1 348 . 1 1 31 31 ILE CG2 C 13 18.380 0.022 . . . . . A 31 ILE CG2 . 34141 1 349 . 1 1 31 31 ILE CD1 C 13 12.298 0.000 . . . . . A 31 ILE CD1 . 34141 1 350 . 1 1 31 31 ILE N N 15 120.477 0.006 . . . . . A 31 ILE N . 34141 1 351 . 1 1 32 32 MET H H 1 9.152 0.002 . . . . . A 32 MET H . 34141 1 352 . 1 1 32 32 MET HA H 1 4.959 0.000 . . . . . A 32 MET HA . 34141 1 353 . 1 1 32 32 MET HB2 H 1 1.744 0.000 . . . . . A 32 MET HB2 . 34141 1 354 . 1 1 32 32 MET HB3 H 1 1.917 0.000 . . . . . A 32 MET HB3 . 34141 1 355 . 1 1 32 32 MET HG2 H 1 2.092 0.000 . . . . . A 32 MET HG2 . 34141 1 356 . 1 1 32 32 MET HG3 H 1 1.966 0.002 . . . . . A 32 MET HG3 . 34141 1 357 . 1 1 32 32 MET HE1 H 1 0.927 0.000 . . . . . A 32 MET HE1 . 34141 1 358 . 1 1 32 32 MET HE2 H 1 0.927 0.000 . . . . . A 32 MET HE2 . 34141 1 359 . 1 1 32 32 MET HE3 H 1 0.927 0.000 . . . . . A 32 MET HE3 . 34141 1 360 . 1 1 32 32 MET C C 13 173.445 0.009 . . . . . A 32 MET C . 34141 1 361 . 1 1 32 32 MET CA C 13 53.301 0.056 . . . . . A 32 MET CA . 34141 1 362 . 1 1 32 32 MET CB C 13 38.330 0.024 . . . . . A 32 MET CB . 34141 1 363 . 1 1 32 32 MET CG C 13 30.731 0.047 . . . . . A 32 MET CG . 34141 1 364 . 1 1 32 32 MET CE C 13 16.799 0.023 . . . . . A 32 MET CE . 34141 1 365 . 1 1 32 32 MET N N 15 123.695 0.007 . . . . . A 32 MET N . 34141 1 366 . 1 1 33 33 THR H H 1 8.537 0.002 . . . . . A 33 THR H . 34141 1 367 . 1 1 33 33 THR HA H 1 4.737 0.000 . . . . . A 33 THR HA . 34141 1 368 . 1 1 33 33 THR HB H 1 3.999 0.002 . . . . . A 33 THR HB . 34141 1 369 . 1 1 33 33 THR HG21 H 1 1.082 0.000 . . . . . A 33 THR HG21 . 34141 1 370 . 1 1 33 33 THR HG22 H 1 1.082 0.000 . . . . . A 33 THR HG22 . 34141 1 371 . 1 1 33 33 THR HG23 H 1 1.082 0.000 . . . . . A 33 THR HG23 . 34141 1 372 . 1 1 33 33 THR C C 13 174.317 0.002 . . . . . A 33 THR C . 34141 1 373 . 1 1 33 33 THR CA C 13 62.485 0.056 . . . . . A 33 THR CA . 34141 1 374 . 1 1 33 33 THR CB C 13 69.928 0.053 . . . . . A 33 THR CB . 34141 1 375 . 1 1 33 33 THR CG2 C 13 22.275 0.000 . . . . . A 33 THR CG2 . 34141 1 376 . 1 1 33 33 THR N N 15 116.328 0.013 . . . . . A 33 THR N . 34141 1 377 . 1 1 34 34 VAL H H 1 9.553 0.001 . . . . . A 34 VAL H . 34141 1 378 . 1 1 34 34 VAL HA H 1 4.321 0.000 . . . . . A 34 VAL HA . 34141 1 379 . 1 1 34 34 VAL HB H 1 1.974 0.000 . . . . . A 34 VAL HB . 34141 1 380 . 1 1 34 34 VAL HG11 H 1 0.496 0.000 . . . . . A 34 VAL HG11 . 34141 1 381 . 1 1 34 34 VAL HG12 H 1 0.496 0.000 . . . . . A 34 VAL HG12 . 34141 1 382 . 1 1 34 34 VAL HG13 H 1 0.496 0.000 . . . . . A 34 VAL HG13 . 34141 1 383 . 1 1 34 34 VAL HG21 H 1 0.921 0.000 . . . . . A 34 VAL HG21 . 34141 1 384 . 1 1 34 34 VAL HG22 H 1 0.921 0.000 . . . . . A 34 VAL HG22 . 34141 1 385 . 1 1 34 34 VAL HG23 H 1 0.921 0.000 . . . . . A 34 VAL HG23 . 34141 1 386 . 1 1 34 34 VAL C C 13 174.861 0.003 . . . . . A 34 VAL C . 34141 1 387 . 1 1 34 34 VAL CA C 13 62.745 0.060 . . . . . A 34 VAL CA . 34141 1 388 . 1 1 34 34 VAL CB C 13 31.968 0.029 . . . . . A 34 VAL CB . 34141 1 389 . 1 1 34 34 VAL CG1 C 13 21.596 0.000 . . . . . A 34 VAL CG1 . 34141 1 390 . 1 1 34 34 VAL CG2 C 13 21.887 0.000 . . . . . A 34 VAL CG2 . 34141 1 391 . 1 1 34 34 VAL N N 15 128.268 0.011 . . . . . A 34 VAL N . 34141 1 392 . 1 1 35 35 LEU H H 1 9.243 0.001 . . . . . A 35 LEU H . 34141 1 393 . 1 1 35 35 LEU HA H 1 4.449 0.000 . . . . . A 35 LEU HA . 34141 1 394 . 1 1 35 35 LEU HB2 H 1 1.316 0.000 . . . . . A 35 LEU HB2 . 34141 1 395 . 1 1 35 35 LEU HB3 H 1 0.996 0.000 . . . . . A 35 LEU HB3 . 34141 1 396 . 1 1 35 35 LEU HG H 1 1.389 0.000 . . . . . A 35 LEU HG . 34141 1 397 . 1 1 35 35 LEU HD11 H 1 0.570 0.000 . . . . . A 35 LEU HD11 . 34141 1 398 . 1 1 35 35 LEU HD12 H 1 0.570 0.000 . . . . . A 35 LEU HD12 . 34141 1 399 . 1 1 35 35 LEU HD13 H 1 0.570 0.000 . . . . . A 35 LEU HD13 . 34141 1 400 . 1 1 35 35 LEU HD21 H 1 0.625 0.000 . . . . . A 35 LEU HD21 . 34141 1 401 . 1 1 35 35 LEU HD22 H 1 0.625 0.000 . . . . . A 35 LEU HD22 . 34141 1 402 . 1 1 35 35 LEU HD23 H 1 0.625 0.000 . . . . . A 35 LEU HD23 . 34141 1 403 . 1 1 35 35 LEU C C 13 177.588 0.004 . . . . . A 35 LEU C . 34141 1 404 . 1 1 35 35 LEU CA C 13 56.241 0.042 . . . . . A 35 LEU CA . 34141 1 405 . 1 1 35 35 LEU CB C 13 41.127 0.033 . . . . . A 35 LEU CB . 34141 1 406 . 1 1 35 35 LEU CG C 13 27.399 0.045 . . . . . A 35 LEU CG . 34141 1 407 . 1 1 35 35 LEU CD1 C 13 24.979 0.008 . . . . . A 35 LEU CD1 . 34141 1 408 . 1 1 35 35 LEU CD2 C 13 22.619 0.015 . . . . . A 35 LEU CD2 . 34141 1 409 . 1 1 35 35 LEU N N 15 127.320 0.006 . . . . . A 35 LEU N . 34141 1 410 . 1 1 36 36 GLU H H 1 7.789 0.001 . . . . . A 36 GLU H . 34141 1 411 . 1 1 36 36 GLU HA H 1 4.578 0.000 . . . . . A 36 GLU HA . 34141 1 412 . 1 1 36 36 GLU HB2 H 1 2.151 0.000 . . . . . A 36 GLU HB2 . 34141 1 413 . 1 1 36 36 GLU HB3 H 1 1.974 0.005 . . . . . A 36 GLU HB3 . 34141 1 414 . 1 1 36 36 GLU HG2 H 1 2.282 0.000 . . . . . A 36 GLU HG2 . 34141 1 415 . 1 1 36 36 GLU HG3 H 1 2.218 0.000 . . . . . A 36 GLU HG3 . 34141 1 416 . 1 1 36 36 GLU C C 13 174.799 0.001 . . . . . A 36 GLU C . 34141 1 417 . 1 1 36 36 GLU CA C 13 55.826 0.034 . . . . . A 36 GLU CA . 34141 1 418 . 1 1 36 36 GLU CB C 13 34.035 0.062 . . . . . A 36 GLU CB . 34141 1 419 . 1 1 36 36 GLU CG C 13 36.256 0.065 . . . . . A 36 GLU CG . 34141 1 420 . 1 1 36 36 GLU N N 15 115.243 0.007 . . . . . A 36 GLU N . 34141 1 421 . 1 1 37 37 ARG H H 1 8.684 0.001 . . . . . A 37 ARG H . 34141 1 422 . 1 1 37 37 ARG HA H 1 3.950 0.000 . . . . . A 37 ARG HA . 34141 1 423 . 1 1 37 37 ARG HB2 H 1 1.217 0.000 . . . . . A 37 ARG HB2 . 34141 1 424 . 1 1 37 37 ARG HB3 H 1 1.217 0.000 . . . . . A 37 ARG HB3 . 34141 1 425 . 1 1 37 37 ARG HG2 H 1 0.642 0.000 . . . . . A 37 ARG HG2 . 34141 1 426 . 1 1 37 37 ARG HG3 H 1 -0.254 0.000 . . . . . A 37 ARG HG3 . 34141 1 427 . 1 1 37 37 ARG HD2 H 1 2.506 0.000 . . . . . A 37 ARG HD2 . 34141 1 428 . 1 1 37 37 ARG HD3 H 1 2.457 0.000 . . . . . A 37 ARG HD3 . 34141 1 429 . 1 1 37 37 ARG C C 13 174.810 0.002 . . . . . A 37 ARG C . 34141 1 430 . 1 1 37 37 ARG CA C 13 55.651 0.063 . . . . . A 37 ARG CA . 34141 1 431 . 1 1 37 37 ARG CB C 13 31.773 0.050 . . . . . A 37 ARG CB . 34141 1 432 . 1 1 37 37 ARG CG C 13 26.724 0.029 . . . . . A 37 ARG CG . 34141 1 433 . 1 1 37 37 ARG CD C 13 43.235 0.045 . . . . . A 37 ARG CD . 34141 1 434 . 1 1 37 37 ARG N N 15 124.142 0.007 . . . . . A 37 ARG N . 34141 1 435 . 1 1 38 38 ASP H H 1 7.406 0.001 . . . . . A 38 ASP H . 34141 1 436 . 1 1 38 38 ASP HA H 1 5.116 0.005 . . . . . A 38 ASP HA . 34141 1 437 . 1 1 38 38 ASP HB2 H 1 2.815 0.000 . . . . . A 38 ASP HB2 . 34141 1 438 . 1 1 38 38 ASP HB3 H 1 2.697 0.000 . . . . . A 38 ASP HB3 . 34141 1 439 . 1 1 38 38 ASP C C 13 176.873 0.025 . . . . . A 38 ASP C . 34141 1 440 . 1 1 38 38 ASP CA C 13 55.522 0.090 . . . . . A 38 ASP CA . 34141 1 441 . 1 1 38 38 ASP CB C 13 38.992 0.051 . . . . . A 38 ASP CB . 34141 1 442 . 1 1 38 38 ASP N N 15 123.386 0.005 . . . . . A 38 ASP N . 34141 1 443 . 1 1 39 39 THR H H 1 7.828 0.001 . . . . . A 39 THR H . 34141 1 444 . 1 1 39 39 THR HA H 1 4.037 0.002 . . . . . A 39 THR HA . 34141 1 445 . 1 1 39 39 THR HB H 1 4.058 0.000 . . . . . A 39 THR HB . 34141 1 446 . 1 1 39 39 THR HG21 H 1 1.167 0.000 . . . . . A 39 THR HG21 . 34141 1 447 . 1 1 39 39 THR HG22 H 1 1.167 0.000 . . . . . A 39 THR HG22 . 34141 1 448 . 1 1 39 39 THR HG23 H 1 1.167 0.000 . . . . . A 39 THR HG23 . 34141 1 449 . 1 1 39 39 THR C C 13 174.278 0.004 . . . . . A 39 THR C . 34141 1 450 . 1 1 39 39 THR CA C 13 62.065 0.056 . . . . . A 39 THR CA . 34141 1 451 . 1 1 39 39 THR CB C 13 69.470 0.026 . . . . . A 39 THR CB . 34141 1 452 . 1 1 39 39 THR CG2 C 13 19.477 0.023 . . . . . A 39 THR CG2 . 34141 1 453 . 1 1 39 39 THR N N 15 113.796 0.010 . . . . . A 39 THR N . 34141 1 454 . 1 1 40 40 GLN H H 1 8.950 0.001 . . . . . A 40 GLN H . 34141 1 455 . 1 1 40 40 GLN HA H 1 3.920 0.000 . . . . . A 40 GLN HA . 34141 1 456 . 1 1 40 40 GLN HB2 H 1 2.297 0.000 . . . . . A 40 GLN HB2 . 34141 1 457 . 1 1 40 40 GLN HB3 H 1 2.152 0.000 . . . . . A 40 GLN HB3 . 34141 1 458 . 1 1 40 40 GLN HG2 H 1 2.459 0.000 . . . . . A 40 GLN HG2 . 34141 1 459 . 1 1 40 40 GLN HG3 H 1 2.347 0.000 . . . . . A 40 GLN HG3 . 34141 1 460 . 1 1 40 40 GLN HE21 H 1 7.616 0.000 . . . . . A 40 GLN HE21 . 34141 1 461 . 1 1 40 40 GLN HE22 H 1 6.827 0.000 . . . . . A 40 GLN HE22 . 34141 1 462 . 1 1 40 40 GLN C C 13 175.975 0.002 . . . . . A 40 GLN C . 34141 1 463 . 1 1 40 40 GLN CA C 13 56.893 0.051 . . . . . A 40 GLN CA . 34141 1 464 . 1 1 40 40 GLN CB C 13 27.383 0.081 . . . . . A 40 GLN CB . 34141 1 465 . 1 1 40 40 GLN CG C 13 34.324 0.028 . . . . . A 40 GLN CG . 34141 1 466 . 1 1 40 40 GLN N N 15 120.862 0.005 . . . . . A 40 GLN N . 34141 1 467 . 1 1 40 40 GLN NE2 N 15 112.206 0.001 . . . . . A 40 GLN NE2 . 34141 1 468 . 1 1 41 41 GLY H H 1 8.130 0.000 . . . . . A 41 GLY H . 34141 1 469 . 1 1 41 41 GLY HA2 H 1 4.079 0.000 . . . . . A 41 GLY HA2 . 34141 1 470 . 1 1 41 41 GLY HA3 H 1 3.778 0.000 . . . . . A 41 GLY HA3 . 34141 1 471 . 1 1 41 41 GLY C C 13 174.585 0.002 . . . . . A 41 GLY C . 34141 1 472 . 1 1 41 41 GLY CA C 13 45.759 0.038 . . . . . A 41 GLY CA . 34141 1 473 . 1 1 41 41 GLY N N 15 105.553 0.002 . . . . . A 41 GLY N . 34141 1 474 . 1 1 42 42 LEU H H 1 8.055 0.001 . . . . . A 42 LEU H . 34141 1 475 . 1 1 42 42 LEU HA H 1 4.390 0.000 . . . . . A 42 LEU HA . 34141 1 476 . 1 1 42 42 LEU HB2 H 1 2.221 0.000 . . . . . A 42 LEU HB2 . 34141 1 477 . 1 1 42 42 LEU HB3 H 1 1.286 0.005 . . . . . A 42 LEU HB3 . 34141 1 478 . 1 1 42 42 LEU HG H 1 1.559 0.000 . . . . . A 42 LEU HG . 34141 1 479 . 1 1 42 42 LEU HD11 H 1 0.549 0.000 . . . . . A 42 LEU HD11 . 34141 1 480 . 1 1 42 42 LEU HD12 H 1 0.549 0.000 . . . . . A 42 LEU HD12 . 34141 1 481 . 1 1 42 42 LEU HD13 H 1 0.549 0.000 . . . . . A 42 LEU HD13 . 34141 1 482 . 1 1 42 42 LEU HD21 H 1 0.608 0.000 . . . . . A 42 LEU HD21 . 34141 1 483 . 1 1 42 42 LEU HD22 H 1 0.608 0.000 . . . . . A 42 LEU HD22 . 34141 1 484 . 1 1 42 42 LEU HD23 H 1 0.608 0.000 . . . . . A 42 LEU HD23 . 34141 1 485 . 1 1 42 42 LEU C C 13 175.583 0.002 . . . . . A 42 LEU C . 34141 1 486 . 1 1 42 42 LEU CA C 13 53.510 0.051 . . . . . A 42 LEU CA . 34141 1 487 . 1 1 42 42 LEU CB C 13 40.956 0.049 . . . . . A 42 LEU CB . 34141 1 488 . 1 1 42 42 LEU CG C 13 25.999 0.000 . . . . . A 42 LEU CG . 34141 1 489 . 1 1 42 42 LEU CD1 C 13 24.799 0.000 . . . . . A 42 LEU CD1 . 34141 1 490 . 1 1 42 42 LEU CD2 C 13 22.764 0.000 . . . . . A 42 LEU CD2 . 34141 1 491 . 1 1 42 42 LEU N N 15 124.167 0.012 . . . . . A 42 LEU N . 34141 1 492 . 1 1 43 43 ASP H H 1 8.074 0.001 . . . . . A 43 ASP H . 34141 1 493 . 1 1 43 43 ASP HA H 1 4.353 0.000 . . . . . A 43 ASP HA . 34141 1 494 . 1 1 43 43 ASP HB2 H 1 2.677 0.000 . . . . . A 43 ASP HB2 . 34141 1 495 . 1 1 43 43 ASP HB3 H 1 2.658 0.000 . . . . . A 43 ASP HB3 . 34141 1 496 . 1 1 43 43 ASP C C 13 177.997 0.001 . . . . . A 43 ASP C . 34141 1 497 . 1 1 43 43 ASP CA C 13 56.009 0.053 . . . . . A 43 ASP CA . 34141 1 498 . 1 1 43 43 ASP CB C 13 41.161 0.066 . . . . . A 43 ASP CB . 34141 1 499 . 1 1 43 43 ASP N N 15 123.317 0.008 . . . . . A 43 ASP N . 34141 1 500 . 1 1 44 44 GLY H H 1 9.290 0.002 . . . . . A 44 GLY H . 34141 1 501 . 1 1 44 44 GLY HA2 H 1 3.898 0.000 . . . . . A 44 GLY HA2 . 34141 1 502 . 1 1 44 44 GLY HA3 H 1 4.251 0.000 . . . . . A 44 GLY HA3 . 34141 1 503 . 1 1 44 44 GLY C C 13 174.528 0.007 . . . . . A 44 GLY C . 34141 1 504 . 1 1 44 44 GLY CA C 13 45.597 0.026 . . . . . A 44 GLY CA . 34141 1 505 . 1 1 44 44 GLY N N 15 112.884 0.014 . . . . . A 44 GLY N . 34141 1 506 . 1 1 45 45 TRP H H 1 8.413 0.002 . . . . . A 45 TRP H . 34141 1 507 . 1 1 45 45 TRP HA H 1 5.017 0.000 . . . . . A 45 TRP HA . 34141 1 508 . 1 1 45 45 TRP HB2 H 1 3.361 0.000 . . . . . A 45 TRP HB2 . 34141 1 509 . 1 1 45 45 TRP HB3 H 1 2.963 0.002 . . . . . A 45 TRP HB3 . 34141 1 510 . 1 1 45 45 TRP HD1 H 1 7.045 0.002 . . . . . A 45 TRP HD1 . 34141 1 511 . 1 1 45 45 TRP HE1 H 1 10.151 0.001 . . . . . A 45 TRP HE1 . 34141 1 512 . 1 1 45 45 TRP HE3 H 1 7.248 0.008 . . . . . A 45 TRP HE3 . 34141 1 513 . 1 1 45 45 TRP HZ2 H 1 7.481 0.015 . . . . . A 45 TRP HZ2 . 34141 1 514 . 1 1 45 45 TRP HZ3 H 1 6.913 0.008 . . . . . A 45 TRP HZ3 . 34141 1 515 . 1 1 45 45 TRP HH2 H 1 7.245 0.000 . . . . . A 45 TRP HH2 . 34141 1 516 . 1 1 45 45 TRP C C 13 175.525 0.001 . . . . . A 45 TRP C . 34141 1 517 . 1 1 45 45 TRP CA C 13 57.112 0.054 . . . . . A 45 TRP CA . 34141 1 518 . 1 1 45 45 TRP CB C 13 29.910 0.041 . . . . . A 45 TRP CB . 34141 1 519 . 1 1 45 45 TRP CE3 C 13 120.827 0.000 . . . . . A 45 TRP CE3 . 34141 1 520 . 1 1 45 45 TRP CZ2 C 13 114.545 0.000 . . . . . A 45 TRP CZ2 . 34141 1 521 . 1 1 45 45 TRP CZ3 C 13 120.663 0.000 . . . . . A 45 TRP CZ3 . 34141 1 522 . 1 1 45 45 TRP CH2 C 13 125.171 0.000 . . . . . A 45 TRP CH2 . 34141 1 523 . 1 1 45 45 TRP N N 15 122.192 0.009 . . . . . A 45 TRP N . 34141 1 524 . 1 1 45 45 TRP NE1 N 15 129.431 0.005 . . . . . A 45 TRP NE1 . 34141 1 525 . 1 1 46 46 TRP H H 1 10.040 0.002 . . . . . A 46 TRP H . 34141 1 526 . 1 1 46 46 TRP HA H 1 5.661 0.007 . . . . . A 46 TRP HA . 34141 1 527 . 1 1 46 46 TRP HB2 H 1 3.048 0.000 . . . . . A 46 TRP HB2 . 34141 1 528 . 1 1 46 46 TRP HB3 H 1 3.156 0.004 . . . . . A 46 TRP HB3 . 34141 1 529 . 1 1 46 46 TRP HD1 H 1 6.888 0.009 . . . . . A 46 TRP HD1 . 34141 1 530 . 1 1 46 46 TRP HE1 H 1 10.698 0.003 . . . . . A 46 TRP HE1 . 34141 1 531 . 1 1 46 46 TRP HE3 H 1 7.088 0.003 . . . . . A 46 TRP HE3 . 34141 1 532 . 1 1 46 46 TRP HZ2 H 1 7.396 0.010 . . . . . A 46 TRP HZ2 . 34141 1 533 . 1 1 46 46 TRP HZ3 H 1 6.603 0.002 . . . . . A 46 TRP HZ3 . 34141 1 534 . 1 1 46 46 TRP HH2 H 1 7.125 0.001 . . . . . A 46 TRP HH2 . 34141 1 535 . 1 1 46 46 TRP C C 13 175.403 0.010 . . . . . A 46 TRP C . 34141 1 536 . 1 1 46 46 TRP CA C 13 53.450 0.058 . . . . . A 46 TRP CA . 34141 1 537 . 1 1 46 46 TRP CB C 13 31.629 0.046 . . . . . A 46 TRP CB . 34141 1 538 . 1 1 46 46 TRP CD1 C 13 121.274 0.000 . . . . . A 46 TRP CD1 . 34141 1 539 . 1 1 46 46 TRP CZ2 C 13 113.975 0.006 . . . . . A 46 TRP CZ2 . 34141 1 540 . 1 1 46 46 TRP CZ3 C 13 121.684 0.000 . . . . . A 46 TRP CZ3 . 34141 1 541 . 1 1 46 46 TRP CH2 C 13 125.559 0.065 . . . . . A 46 TRP CH2 . 34141 1 542 . 1 1 46 46 TRP N N 15 125.689 0.006 . . . . . A 46 TRP N . 34141 1 543 . 1 1 46 46 TRP NE1 N 15 128.224 0.002 . . . . . A 46 TRP NE1 . 34141 1 544 . 1 1 47 47 LEU H H 1 9.360 0.001 . . . . . A 47 LEU H . 34141 1 545 . 1 1 47 47 LEU HA H 1 4.999 0.000 . . . . . A 47 LEU HA . 34141 1 546 . 1 1 47 47 LEU HB2 H 1 1.990 0.000 . . . . . A 47 LEU HB2 . 34141 1 547 . 1 1 47 47 LEU HB3 H 1 1.615 0.000 . . . . . A 47 LEU HB3 . 34141 1 548 . 1 1 47 47 LEU HG H 1 1.404 0.000 . . . . . A 47 LEU HG . 34141 1 549 . 1 1 47 47 LEU HD11 H 1 0.837 0.000 . . . . . A 47 LEU HD11 . 34141 1 550 . 1 1 47 47 LEU HD12 H 1 0.837 0.000 . . . . . A 47 LEU HD12 . 34141 1 551 . 1 1 47 47 LEU HD13 H 1 0.837 0.000 . . . . . A 47 LEU HD13 . 34141 1 552 . 1 1 47 47 LEU HD21 H 1 0.957 0.000 . . . . . A 47 LEU HD21 . 34141 1 553 . 1 1 47 47 LEU HD22 H 1 0.957 0.000 . . . . . A 47 LEU HD22 . 34141 1 554 . 1 1 47 47 LEU HD23 H 1 0.957 0.000 . . . . . A 47 LEU HD23 . 34141 1 555 . 1 1 47 47 LEU C C 13 176.131 0.004 . . . . . A 47 LEU C . 34141 1 556 . 1 1 47 47 LEU CA C 13 54.780 0.045 . . . . . A 47 LEU CA . 34141 1 557 . 1 1 47 47 LEU CB C 13 43.753 0.071 . . . . . A 47 LEU CB . 34141 1 558 . 1 1 47 47 LEU CG C 13 27.464 0.000 . . . . . A 47 LEU CG . 34141 1 559 . 1 1 47 47 LEU CD1 C 13 25.762 0.000 . . . . . A 47 LEU CD1 . 34141 1 560 . 1 1 47 47 LEU CD2 C 13 22.492 0.000 . . . . . A 47 LEU CD2 . 34141 1 561 . 1 1 47 47 LEU N N 15 124.945 0.007 . . . . . A 47 LEU N . 34141 1 562 . 1 1 48 48 CYS H H 1 9.281 0.001 . . . . . A 48 CYS H . 34141 1 563 . 1 1 48 48 CYS HA H 1 5.612 0.000 . . . . . A 48 CYS HA . 34141 1 564 . 1 1 48 48 CYS HB2 H 1 2.675 0.000 . . . . . A 48 CYS HB2 . 34141 1 565 . 1 1 48 48 CYS HB3 H 1 2.675 0.000 . . . . . A 48 CYS HB3 . 34141 1 566 . 1 1 48 48 CYS C C 13 172.161 0.001 . . . . . A 48 CYS C . 34141 1 567 . 1 1 48 48 CYS CA C 13 57.242 0.062 . . . . . A 48 CYS CA . 34141 1 568 . 1 1 48 48 CYS CB C 13 34.387 0.034 . . . . . A 48 CYS CB . 34141 1 569 . 1 1 48 48 CYS N N 15 124.977 0.011 . . . . . A 48 CYS N . 34141 1 570 . 1 1 49 49 SER H H 1 9.042 0.001 . . . . . A 49 SER H . 34141 1 571 . 1 1 49 49 SER HA H 1 5.412 0.000 . . . . . A 49 SER HA . 34141 1 572 . 1 1 49 49 SER HB2 H 1 3.628 0.000 . . . . . A 49 SER HB2 . 34141 1 573 . 1 1 49 49 SER HB3 H 1 3.532 0.000 . . . . . A 49 SER HB3 . 34141 1 574 . 1 1 49 49 SER C C 13 173.578 0.003 . . . . . A 49 SER C . 34141 1 575 . 1 1 49 49 SER CA C 13 56.001 0.036 . . . . . A 49 SER CA . 34141 1 576 . 1 1 49 49 SER CB C 13 65.079 0.044 . . . . . A 49 SER CB . 34141 1 577 . 1 1 49 49 SER N N 15 112.913 0.009 . . . . . A 49 SER N . 34141 1 578 . 1 1 50 50 LEU H H 1 9.069 0.001 . . . . . A 50 LEU H . 34141 1 579 . 1 1 50 50 LEU HA H 1 4.697 0.000 . . . . . A 50 LEU HA . 34141 1 580 . 1 1 50 50 LEU HB2 H 1 1.860 0.000 . . . . . A 50 LEU HB2 . 34141 1 581 . 1 1 50 50 LEU HB3 H 1 1.307 0.003 . . . . . A 50 LEU HB3 . 34141 1 582 . 1 1 50 50 LEU HG H 1 1.250 0.000 . . . . . A 50 LEU HG . 34141 1 583 . 1 1 50 50 LEU HD11 H 1 1.062 0.000 . . . . . A 50 LEU HD11 . 34141 1 584 . 1 1 50 50 LEU HD12 H 1 1.062 0.000 . . . . . A 50 LEU HD12 . 34141 1 585 . 1 1 50 50 LEU HD13 H 1 1.062 0.000 . . . . . A 50 LEU HD13 . 34141 1 586 . 1 1 50 50 LEU HD21 H 1 0.656 0.000 . . . . . A 50 LEU HD21 . 34141 1 587 . 1 1 50 50 LEU HD22 H 1 0.656 0.000 . . . . . A 50 LEU HD22 . 34141 1 588 . 1 1 50 50 LEU HD23 H 1 0.656 0.000 . . . . . A 50 LEU HD23 . 34141 1 589 . 1 1 50 50 LEU C C 13 175.762 0.000 . . . . . A 50 LEU C . 34141 1 590 . 1 1 50 50 LEU CA C 13 54.228 0.030 . . . . . A 50 LEU CA . 34141 1 591 . 1 1 50 50 LEU CB C 13 45.807 0.017 . . . . . A 50 LEU CB . 34141 1 592 . 1 1 50 50 LEU CG C 13 27.566 0.000 . . . . . A 50 LEU CG . 34141 1 593 . 1 1 50 50 LEU CD1 C 13 27.364 0.027 . . . . . A 50 LEU CD1 . 34141 1 594 . 1 1 50 50 LEU CD2 C 13 23.191 0.000 . . . . . A 50 LEU CD2 . 34141 1 595 . 1 1 50 50 LEU N N 15 128.897 0.003 . . . . . A 50 LEU N . 34141 1 596 . 1 1 51 51 HIS HA H 1 4.474 0.000 . . . . . A 51 HIS HA . 34141 1 597 . 1 1 51 51 HIS HB2 H 1 3.332 0.005 . . . . . A 51 HIS HB2 . 34141 1 598 . 1 1 51 51 HIS HB3 H 1 3.332 0.005 . . . . . A 51 HIS HB3 . 34141 1 599 . 1 1 51 51 HIS HD2 H 1 7.092 0.000 . . . . . A 51 HIS HD2 . 34141 1 600 . 1 1 51 51 HIS C C 13 175.776 0.001 . . . . . A 51 HIS C . 34141 1 601 . 1 1 51 51 HIS CA C 13 56.486 0.062 . . . . . A 51 HIS CA . 34141 1 602 . 1 1 51 51 HIS CB C 13 28.617 0.127 . . . . . A 51 HIS CB . 34141 1 603 . 1 1 52 52 GLY H H 1 8.638 0.001 . . . . . A 52 GLY H . 34141 1 604 . 1 1 52 52 GLY HA2 H 1 4.252 0.001 . . . . . A 52 GLY HA2 . 34141 1 605 . 1 1 52 52 GLY HA3 H 1 3.586 0.000 . . . . . A 52 GLY HA3 . 34141 1 606 . 1 1 52 52 GLY C C 13 173.607 0.003 . . . . . A 52 GLY C . 34141 1 607 . 1 1 52 52 GLY CA C 13 45.535 0.019 . . . . . A 52 GLY CA . 34141 1 608 . 1 1 52 52 GLY N N 15 104.426 0.005 . . . . . A 52 GLY N . 34141 1 609 . 1 1 53 53 ARG H H 1 7.925 0.001 . . . . . A 53 ARG H . 34141 1 610 . 1 1 53 53 ARG HA H 1 4.653 0.000 . . . . . A 53 ARG HA . 34141 1 611 . 1 1 53 53 ARG HB2 H 1 1.919 0.010 . . . . . A 53 ARG HB2 . 34141 1 612 . 1 1 53 53 ARG HB3 H 1 1.919 0.010 . . . . . A 53 ARG HB3 . 34141 1 613 . 1 1 53 53 ARG HG2 H 1 1.731 0.000 . . . . . A 53 ARG HG2 . 34141 1 614 . 1 1 53 53 ARG HG3 H 1 1.636 0.000 . . . . . A 53 ARG HG3 . 34141 1 615 . 1 1 53 53 ARG HD2 H 1 3.306 0.000 . . . . . A 53 ARG HD2 . 34141 1 616 . 1 1 53 53 ARG HD3 H 1 3.306 0.000 . . . . . A 53 ARG HD3 . 34141 1 617 . 1 1 53 53 ARG C C 13 174.461 0.003 . . . . . A 53 ARG C . 34141 1 618 . 1 1 53 53 ARG CA C 13 54.850 0.047 . . . . . A 53 ARG CA . 34141 1 619 . 1 1 53 53 ARG CB C 13 32.052 0.034 . . . . . A 53 ARG CB . 34141 1 620 . 1 1 53 53 ARG CG C 13 27.548 0.040 . . . . . A 53 ARG CG . 34141 1 621 . 1 1 53 53 ARG CD C 13 43.566 0.000 . . . . . A 53 ARG CD . 34141 1 622 . 1 1 53 53 ARG N N 15 121.913 0.004 . . . . . A 53 ARG N . 34141 1 623 . 1 1 54 54 GLN H H 1 8.588 0.001 . . . . . A 54 GLN H . 34141 1 624 . 1 1 54 54 GLN HA H 1 5.693 0.000 . . . . . A 54 GLN HA . 34141 1 625 . 1 1 54 54 GLN HB2 H 1 1.950 0.000 . . . . . A 54 GLN HB2 . 34141 1 626 . 1 1 54 54 GLN HB3 H 1 1.950 0.000 . . . . . A 54 GLN HB3 . 34141 1 627 . 1 1 54 54 GLN HG2 H 1 2.310 0.000 . . . . . A 54 GLN HG2 . 34141 1 628 . 1 1 54 54 GLN HG3 H 1 2.167 0.000 . . . . . A 54 GLN HG3 . 34141 1 629 . 1 1 54 54 GLN HE21 H 1 7.413 0.000 . . . . . A 54 GLN HE21 . 34141 1 630 . 1 1 54 54 GLN HE22 H 1 6.699 0.000 . . . . . A 54 GLN HE22 . 34141 1 631 . 1 1 54 54 GLN C C 13 176.493 0.002 . . . . . A 54 GLN C . 34141 1 632 . 1 1 54 54 GLN CA C 13 54.182 0.039 . . . . . A 54 GLN CA . 34141 1 633 . 1 1 54 54 GLN CB C 13 31.415 0.038 . . . . . A 54 GLN CB . 34141 1 634 . 1 1 54 54 GLN CG C 13 34.613 0.084 . . . . . A 54 GLN CG . 34141 1 635 . 1 1 54 54 GLN N N 15 121.392 0.005 . . . . . A 54 GLN N . 34141 1 636 . 1 1 54 54 GLN NE2 N 15 110.349 0.000 . . . . . A 54 GLN NE2 . 34141 1 637 . 1 1 55 55 GLY H H 1 8.808 0.000 . . . . . A 55 GLY H . 34141 1 638 . 1 1 55 55 GLY HA2 H 1 4.370 0.003 . . . . . A 55 GLY HA2 . 34141 1 639 . 1 1 55 55 GLY HA3 H 1 3.959 0.000 . . . . . A 55 GLY HA3 . 34141 1 640 . 1 1 55 55 GLY C C 13 171.550 0.005 . . . . . A 55 GLY C . 34141 1 641 . 1 1 55 55 GLY CA C 13 45.532 0.026 . . . . . A 55 GLY CA . 34141 1 642 . 1 1 55 55 GLY N N 15 109.272 0.011 . . . . . A 55 GLY N . 34141 1 643 . 1 1 56 56 ILE H H 1 8.770 0.001 . . . . . A 56 ILE H . 34141 1 644 . 1 1 56 56 ILE HA H 1 5.877 0.000 . . . . . A 56 ILE HA . 34141 1 645 . 1 1 56 56 ILE HB H 1 2.019 0.000 . . . . . A 56 ILE HB . 34141 1 646 . 1 1 56 56 ILE HG12 H 1 1.546 0.000 . . . . . A 56 ILE HG12 . 34141 1 647 . 1 1 56 56 ILE HG13 H 1 0.934 0.000 . . . . . A 56 ILE HG13 . 34141 1 648 . 1 1 56 56 ILE HG21 H 1 0.955 0.000 . . . . . A 56 ILE HG21 . 34141 1 649 . 1 1 56 56 ILE HG22 H 1 0.955 0.000 . . . . . A 56 ILE HG22 . 34141 1 650 . 1 1 56 56 ILE HG23 H 1 0.955 0.000 . . . . . A 56 ILE HG23 . 34141 1 651 . 1 1 56 56 ILE HD11 H 1 0.339 0.000 . . . . . A 56 ILE HD11 . 34141 1 652 . 1 1 56 56 ILE HD12 H 1 0.339 0.000 . . . . . A 56 ILE HD12 . 34141 1 653 . 1 1 56 56 ILE HD13 H 1 0.339 0.000 . . . . . A 56 ILE HD13 . 34141 1 654 . 1 1 56 56 ILE C C 13 176.970 0.003 . . . . . A 56 ILE C . 34141 1 655 . 1 1 56 56 ILE CA C 13 60.984 0.069 . . . . . A 56 ILE CA . 34141 1 656 . 1 1 56 56 ILE CB C 13 40.728 0.037 . . . . . A 56 ILE CB . 34141 1 657 . 1 1 56 56 ILE CG1 C 13 26.053 0.010 . . . . . A 56 ILE CG1 . 34141 1 658 . 1 1 56 56 ILE CG2 C 13 19.073 0.000 . . . . . A 56 ILE CG2 . 34141 1 659 . 1 1 56 56 ILE CD1 C 13 13.230 0.065 . . . . . A 56 ILE CD1 . 34141 1 660 . 1 1 56 56 ILE N N 15 114.763 0.007 . . . . . A 56 ILE N . 34141 1 661 . 1 1 57 57 VAL H H 1 9.365 0.001 . . . . . A 57 VAL H . 34141 1 662 . 1 1 57 57 VAL HA H 1 5.075 0.000 . . . . . A 57 VAL HA . 34141 1 663 . 1 1 57 57 VAL HB H 1 2.117 0.000 . . . . . A 57 VAL HB . 34141 1 664 . 1 1 57 57 VAL HG11 H 1 1.035 0.000 . . . . . A 57 VAL HG11 . 34141 1 665 . 1 1 57 57 VAL HG12 H 1 1.035 0.000 . . . . . A 57 VAL HG12 . 34141 1 666 . 1 1 57 57 VAL HG13 H 1 1.035 0.000 . . . . . A 57 VAL HG13 . 34141 1 667 . 1 1 57 57 VAL HG21 H 1 1.035 0.000 . . . . . A 57 VAL HG21 . 34141 1 668 . 1 1 57 57 VAL HG22 H 1 1.035 0.000 . . . . . A 57 VAL HG22 . 34141 1 669 . 1 1 57 57 VAL HG23 H 1 1.035 0.000 . . . . . A 57 VAL HG23 . 34141 1 670 . 1 1 57 57 VAL C C 13 172.900 0.000 . . . . . A 57 VAL C . 34141 1 671 . 1 1 57 57 VAL CA C 13 58.705 0.040 . . . . . A 57 VAL CA . 34141 1 672 . 1 1 57 57 VAL CB C 13 37.621 0.032 . . . . . A 57 VAL CB . 34141 1 673 . 1 1 57 57 VAL CG1 C 13 23.187 0.000 . . . . . A 57 VAL CG1 . 34141 1 674 . 1 1 57 57 VAL N N 15 119.419 0.007 . . . . . A 57 VAL N . 34141 1 675 . 1 1 58 58 PRO HA H 1 3.578 0.000 . . . . . A 58 PRO HA . 34141 1 676 . 1 1 58 58 PRO HB2 H 1 1.519 0.000 . . . . . A 58 PRO HB2 . 34141 1 677 . 1 1 58 58 PRO HB3 H 1 1.204 0.000 . . . . . A 58 PRO HB3 . 34141 1 678 . 1 1 58 58 PRO HG2 H 1 1.739 0.000 . . . . . A 58 PRO HG2 . 34141 1 679 . 1 1 58 58 PRO HG3 H 1 1.199 0.000 . . . . . A 58 PRO HG3 . 34141 1 680 . 1 1 58 58 PRO HD2 H 1 3.347 0.000 . . . . . A 58 PRO HD2 . 34141 1 681 . 1 1 58 58 PRO HD3 H 1 3.815 0.000 . . . . . A 58 PRO HD3 . 34141 1 682 . 1 1 58 58 PRO C C 13 177.430 0.000 . . . . . A 58 PRO C . 34141 1 683 . 1 1 58 58 PRO CA C 13 61.683 0.043 . . . . . A 58 PRO CA . 34141 1 684 . 1 1 58 58 PRO CB C 13 30.191 0.024 . . . . . A 58 PRO CB . 34141 1 685 . 1 1 58 58 PRO CG C 13 27.430 0.009 . . . . . A 58 PRO CG . 34141 1 686 . 1 1 58 58 PRO CD C 13 50.963 0.013 . . . . . A 58 PRO CD . 34141 1 687 . 1 1 59 59 GLY H H 1 7.975 0.001 . . . . . A 59 GLY H . 34141 1 688 . 1 1 59 59 GLY HA2 H 1 1.860 0.000 . . . . . A 59 GLY HA2 . 34141 1 689 . 1 1 59 59 GLY HA3 H 1 2.011 0.000 . . . . . A 59 GLY HA3 . 34141 1 690 . 1 1 59 59 GLY C C 13 174.340 0.012 . . . . . A 59 GLY C . 34141 1 691 . 1 1 59 59 GLY CA C 13 45.530 0.038 . . . . . A 59 GLY CA . 34141 1 692 . 1 1 59 59 GLY N N 15 114.521 0.013 . . . . . A 59 GLY N . 34141 1 693 . 1 1 60 60 ASN H H 1 7.804 0.001 . . . . . A 60 ASN H . 34141 1 694 . 1 1 60 60 ASN HA H 1 4.374 0.000 . . . . . A 60 ASN HA . 34141 1 695 . 1 1 60 60 ASN HB2 H 1 3.007 0.000 . . . . . A 60 ASN HB2 . 34141 1 696 . 1 1 60 60 ASN HB3 H 1 2.634 0.000 . . . . . A 60 ASN HB3 . 34141 1 697 . 1 1 60 60 ASN C C 13 176.784 0.005 . . . . . A 60 ASN C . 34141 1 698 . 1 1 60 60 ASN CA C 13 53.696 0.037 . . . . . A 60 ASN CA . 34141 1 699 . 1 1 60 60 ASN CB C 13 36.692 0.029 . . . . . A 60 ASN CB . 34141 1 700 . 1 1 60 60 ASN N N 15 114.005 0.013 . . . . . A 60 ASN N . 34141 1 701 . 1 1 61 61 ARG H H 1 7.548 0.001 . . . . . A 61 ARG H . 34141 1 702 . 1 1 61 61 ARG HA H 1 4.562 0.000 . . . . . A 61 ARG HA . 34141 1 703 . 1 1 61 61 ARG HB2 H 1 2.300 0.005 . . . . . A 61 ARG HB2 . 34141 1 704 . 1 1 61 61 ARG HB3 H 1 1.813 0.000 . . . . . A 61 ARG HB3 . 34141 1 705 . 1 1 61 61 ARG HG2 H 1 1.642 0.000 . . . . . A 61 ARG HG2 . 34141 1 706 . 1 1 61 61 ARG HG3 H 1 1.530 0.000 . . . . . A 61 ARG HG3 . 34141 1 707 . 1 1 61 61 ARG HD2 H 1 2.913 0.000 . . . . . A 61 ARG HD2 . 34141 1 708 . 1 1 61 61 ARG HD3 H 1 2.881 0.000 . . . . . A 61 ARG HD3 . 34141 1 709 . 1 1 61 61 ARG C C 13 173.941 0.000 . . . . . A 61 ARG C . 34141 1 710 . 1 1 61 61 ARG CA C 13 55.697 0.036 . . . . . A 61 ARG CA . 34141 1 711 . 1 1 61 61 ARG CB C 13 30.704 0.049 . . . . . A 61 ARG CB . 34141 1 712 . 1 1 61 61 ARG CG C 13 28.089 0.024 . . . . . A 61 ARG CG . 34141 1 713 . 1 1 61 61 ARG CD C 13 43.498 0.024 . . . . . A 61 ARG CD . 34141 1 714 . 1 1 61 61 ARG N N 15 116.961 0.014 . . . . . A 61 ARG N . 34141 1 715 . 1 1 62 62 LEU H H 1 7.443 0.001 . . . . . A 62 LEU H . 34141 1 716 . 1 1 62 62 LEU HA H 1 4.953 0.004 . . . . . A 62 LEU HA . 34141 1 717 . 1 1 62 62 LEU HB2 H 1 1.449 0.000 . . . . . A 62 LEU HB2 . 34141 1 718 . 1 1 62 62 LEU HB3 H 1 0.979 0.000 . . . . . A 62 LEU HB3 . 34141 1 719 . 1 1 62 62 LEU HG H 1 1.148 0.000 . . . . . A 62 LEU HG . 34141 1 720 . 1 1 62 62 LEU HD11 H 1 0.517 0.000 . . . . . A 62 LEU HD11 . 34141 1 721 . 1 1 62 62 LEU HD12 H 1 0.517 0.000 . . . . . A 62 LEU HD12 . 34141 1 722 . 1 1 62 62 LEU HD13 H 1 0.517 0.000 . . . . . A 62 LEU HD13 . 34141 1 723 . 1 1 62 62 LEU HD21 H 1 0.367 0.000 . . . . . A 62 LEU HD21 . 34141 1 724 . 1 1 62 62 LEU HD22 H 1 0.367 0.000 . . . . . A 62 LEU HD22 . 34141 1 725 . 1 1 62 62 LEU HD23 H 1 0.367 0.000 . . . . . A 62 LEU HD23 . 34141 1 726 . 1 1 62 62 LEU C C 13 175.566 0.005 . . . . . A 62 LEU C . 34141 1 727 . 1 1 62 62 LEU CA C 13 53.533 0.050 . . . . . A 62 LEU CA . 34141 1 728 . 1 1 62 62 LEU CB C 13 46.642 0.020 . . . . . A 62 LEU CB . 34141 1 729 . 1 1 62 62 LEU CG C 13 27.316 0.000 . . . . . A 62 LEU CG . 34141 1 730 . 1 1 62 62 LEU CD1 C 13 26.208 0.000 . . . . . A 62 LEU CD1 . 34141 1 731 . 1 1 62 62 LEU CD2 C 13 23.641 0.000 . . . . . A 62 LEU CD2 . 34141 1 732 . 1 1 62 62 LEU N N 15 118.910 0.008 . . . . . A 62 LEU N . 34141 1 733 . 1 1 63 63 LYS H H 1 8.603 0.002 . . . . . A 63 LYS H . 34141 1 734 . 1 1 63 63 LYS HA H 1 4.728 0.000 . . . . . A 63 LYS HA . 34141 1 735 . 1 1 63 63 LYS HB2 H 1 1.732 0.000 . . . . . A 63 LYS HB2 . 34141 1 736 . 1 1 63 63 LYS HB3 H 1 1.644 0.000 . . . . . A 63 LYS HB3 . 34141 1 737 . 1 1 63 63 LYS HG2 H 1 1.419 0.000 . . . . . A 63 LYS HG2 . 34141 1 738 . 1 1 63 63 LYS HG3 H 1 1.323 0.000 . . . . . A 63 LYS HG3 . 34141 1 739 . 1 1 63 63 LYS HD2 H 1 1.629 0.000 . . . . . A 63 LYS HD2 . 34141 1 740 . 1 1 63 63 LYS HD3 H 1 1.629 0.000 . . . . . A 63 LYS HD3 . 34141 1 741 . 1 1 63 63 LYS HE2 H 1 2.973 0.000 . . . . . A 63 LYS HE2 . 34141 1 742 . 1 1 63 63 LYS HE3 H 1 2.973 0.000 . . . . . A 63 LYS HE3 . 34141 1 743 . 1 1 63 63 LYS C C 13 175.950 0.001 . . . . . A 63 LYS C . 34141 1 744 . 1 1 63 63 LYS CA C 13 54.438 0.062 . . . . . A 63 LYS CA . 34141 1 745 . 1 1 63 63 LYS CB C 13 36.161 0.023 . . . . . A 63 LYS CB . 34141 1 746 . 1 1 63 63 LYS CG C 13 24.706 0.001 . . . . . A 63 LYS CG . 34141 1 747 . 1 1 63 63 LYS CD C 13 29.703 0.000 . . . . . A 63 LYS CD . 34141 1 748 . 1 1 63 63 LYS CE C 13 42.301 0.000 . . . . . A 63 LYS CE . 34141 1 749 . 1 1 63 63 LYS N N 15 119.583 0.009 . . . . . A 63 LYS N . 34141 1 750 . 1 1 64 64 ILE H H 1 8.916 0.001 . . . . . A 64 ILE H . 34141 1 751 . 1 1 64 64 ILE HA H 1 4.094 0.000 . . . . . A 64 ILE HA . 34141 1 752 . 1 1 64 64 ILE HB H 1 1.857 0.000 . . . . . A 64 ILE HB . 34141 1 753 . 1 1 64 64 ILE HG12 H 1 1.753 0.000 . . . . . A 64 ILE HG12 . 34141 1 754 . 1 1 64 64 ILE HG13 H 1 1.165 0.000 . . . . . A 64 ILE HG13 . 34141 1 755 . 1 1 64 64 ILE HG21 H 1 0.907 0.000 . . . . . A 64 ILE HG21 . 34141 1 756 . 1 1 64 64 ILE HG22 H 1 0.907 0.000 . . . . . A 64 ILE HG22 . 34141 1 757 . 1 1 64 64 ILE HG23 H 1 0.907 0.000 . . . . . A 64 ILE HG23 . 34141 1 758 . 1 1 64 64 ILE HD11 H 1 0.679 0.000 . . . . . A 64 ILE HD11 . 34141 1 759 . 1 1 64 64 ILE HD12 H 1 0.679 0.000 . . . . . A 64 ILE HD12 . 34141 1 760 . 1 1 64 64 ILE HD13 H 1 0.679 0.000 . . . . . A 64 ILE HD13 . 34141 1 761 . 1 1 64 64 ILE C C 13 176.318 0.004 . . . . . A 64 ILE C . 34141 1 762 . 1 1 64 64 ILE CA C 13 62.555 0.066 . . . . . A 64 ILE CA . 34141 1 763 . 1 1 64 64 ILE CB C 13 37.592 0.027 . . . . . A 64 ILE CB . 34141 1 764 . 1 1 64 64 ILE CG1 C 13 29.078 0.010 . . . . . A 64 ILE CG1 . 34141 1 765 . 1 1 64 64 ILE CG2 C 13 17.434 0.000 . . . . . A 64 ILE CG2 . 34141 1 766 . 1 1 64 64 ILE CD1 C 13 12.413 0.018 . . . . . A 64 ILE CD1 . 34141 1 767 . 1 1 64 64 ILE N N 15 127.840 0.009 . . . . . A 64 ILE N . 34141 1 768 . 1 1 65 65 LEU H H 1 8.762 0.003 . . . . . A 65 LEU H . 34141 1 769 . 1 1 65 65 LEU HA H 1 4.442 0.000 . . . . . A 65 LEU HA . 34141 1 770 . 1 1 65 65 LEU HB2 H 1 1.653 0.000 . . . . . A 65 LEU HB2 . 34141 1 771 . 1 1 65 65 LEU HB3 H 1 1.408 0.000 . . . . . A 65 LEU HB3 . 34141 1 772 . 1 1 65 65 LEU HG H 1 0.807 0.000 . . . . . A 65 LEU HG . 34141 1 773 . 1 1 65 65 LEU HD11 H 1 0.813 0.000 . . . . . A 65 LEU HD11 . 34141 1 774 . 1 1 65 65 LEU HD12 H 1 0.813 0.000 . . . . . A 65 LEU HD12 . 34141 1 775 . 1 1 65 65 LEU HD13 H 1 0.813 0.000 . . . . . A 65 LEU HD13 . 34141 1 776 . 1 1 65 65 LEU HD21 H 1 0.796 0.000 . . . . . A 65 LEU HD21 . 34141 1 777 . 1 1 65 65 LEU HD22 H 1 0.796 0.000 . . . . . A 65 LEU HD22 . 34141 1 778 . 1 1 65 65 LEU HD23 H 1 0.796 0.000 . . . . . A 65 LEU HD23 . 34141 1 779 . 1 1 65 65 LEU C C 13 176.066 0.002 . . . . . A 65 LEU C . 34141 1 780 . 1 1 65 65 LEU CA C 13 54.194 0.044 . . . . . A 65 LEU CA . 34141 1 781 . 1 1 65 65 LEU CB C 13 41.228 0.050 . . . . . A 65 LEU CB . 34141 1 782 . 1 1 65 65 LEU CG C 13 27.141 0.000 . . . . . A 65 LEU CG . 34141 1 783 . 1 1 65 65 LEU CD1 C 13 25.852 0.000 . . . . . A 65 LEU CD1 . 34141 1 784 . 1 1 65 65 LEU CD2 C 13 22.954 0.000 . . . . . A 65 LEU CD2 . 34141 1 785 . 1 1 65 65 LEU N N 15 129.712 0.019 . . . . . A 65 LEU N . 34141 1 786 . 1 1 66 66 VAL H H 1 7.910 0.002 . . . . . A 66 VAL H . 34141 1 787 . 1 1 66 66 VAL HA H 1 4.037 0.003 . . . . . A 66 VAL HA . 34141 1 788 . 1 1 66 66 VAL HB H 1 2.059 0.000 . . . . . A 66 VAL HB . 34141 1 789 . 1 1 66 66 VAL HG11 H 1 0.965 0.000 . . . . . A 66 VAL HG11 . 34141 1 790 . 1 1 66 66 VAL HG12 H 1 0.965 0.000 . . . . . A 66 VAL HG12 . 34141 1 791 . 1 1 66 66 VAL HG13 H 1 0.965 0.000 . . . . . A 66 VAL HG13 . 34141 1 792 . 1 1 66 66 VAL HG21 H 1 0.965 0.000 . . . . . A 66 VAL HG21 . 34141 1 793 . 1 1 66 66 VAL HG22 H 1 0.965 0.000 . . . . . A 66 VAL HG22 . 34141 1 794 . 1 1 66 66 VAL HG23 H 1 0.965 0.000 . . . . . A 66 VAL HG23 . 34141 1 795 . 1 1 66 66 VAL C C 13 176.782 0.005 . . . . . A 66 VAL C . 34141 1 796 . 1 1 66 66 VAL CA C 13 62.765 0.055 . . . . . A 66 VAL CA . 34141 1 797 . 1 1 66 66 VAL CB C 13 32.815 0.041 . . . . . A 66 VAL CB . 34141 1 798 . 1 1 66 66 VAL CG1 C 13 21.047 0.000 . . . . . A 66 VAL CG1 . 34141 1 799 . 1 1 66 66 VAL N N 15 121.212 0.003 . . . . . A 66 VAL N . 34141 1 800 . 1 1 67 67 GLY H H 1 8.568 0.001 . . . . . A 67 GLY H . 34141 1 801 . 1 1 67 67 GLY C C 13 173.767 0.001 . . . . . A 67 GLY C . 34141 1 802 . 1 1 67 67 GLY CA C 13 45.373 0.036 . . . . . A 67 GLY CA . 34141 1 803 . 1 1 67 67 GLY N N 15 112.796 0.016 . . . . . A 67 GLY N . 34141 1 804 . 1 1 68 68 MET H H 1 7.997 0.001 . . . . . A 68 MET H . 34141 1 805 . 1 1 68 68 MET HA H 1 4.438 0.012 . . . . . A 68 MET HA . 34141 1 806 . 1 1 68 68 MET HB2 H 1 1.899 0.000 . . . . . A 68 MET HB2 . 34141 1 807 . 1 1 68 68 MET HB3 H 1 1.899 0.000 . . . . . A 68 MET HB3 . 34141 1 808 . 1 1 68 68 MET HG2 H 1 2.459 0.000 . . . . . A 68 MET HG2 . 34141 1 809 . 1 1 68 68 MET HG3 H 1 2.459 0.000 . . . . . A 68 MET HG3 . 34141 1 810 . 1 1 68 68 MET HE1 H 1 2.037 0.000 . . . . . A 68 MET HE1 . 34141 1 811 . 1 1 68 68 MET HE2 H 1 2.037 0.000 . . . . . A 68 MET HE2 . 34141 1 812 . 1 1 68 68 MET HE3 H 1 2.037 0.000 . . . . . A 68 MET HE3 . 34141 1 813 . 1 1 68 68 MET C C 13 175.354 0.017 . . . . . A 68 MET C . 34141 1 814 . 1 1 68 68 MET CA C 13 55.502 0.092 . . . . . A 68 MET CA . 34141 1 815 . 1 1 68 68 MET CB C 13 32.805 0.051 . . . . . A 68 MET CB . 34141 1 816 . 1 1 68 68 MET CG C 13 31.986 0.000 . . . . . A 68 MET CG . 34141 1 817 . 1 1 68 68 MET CE C 13 17.072 0.000 . . . . . A 68 MET CE . 34141 1 818 . 1 1 68 68 MET N N 15 119.534 0.012 . . . . . A 68 MET N . 34141 1 819 . 1 1 69 69 TYR H H 1 8.186 0.002 . . . . . A 69 TYR H . 34141 1 820 . 1 1 69 69 TYR HA H 1 4.741 0.000 . . . . . A 69 TYR HA . 34141 1 821 . 1 1 69 69 TYR HB2 H 1 3.122 0.000 . . . . . A 69 TYR HB2 . 34141 1 822 . 1 1 69 69 TYR HB3 H 1 2.814 0.002 . . . . . A 69 TYR HB3 . 34141 1 823 . 1 1 69 69 TYR HD1 H 1 7.085 0.000 . . . . . A 69 TYR HD1 . 34141 1 824 . 1 1 69 69 TYR HD2 H 1 7.085 0.000 . . . . . A 69 TYR HD2 . 34141 1 825 . 1 1 69 69 TYR C C 13 175.396 0.005 . . . . . A 69 TYR C . 34141 1 826 . 1 1 69 69 TYR CA C 13 57.389 0.059 . . . . . A 69 TYR CA . 34141 1 827 . 1 1 69 69 TYR CB C 13 39.451 0.057 . . . . . A 69 TYR CB . 34141 1 828 . 1 1 69 69 TYR N N 15 120.188 0.026 . . . . . A 69 TYR N . 34141 1 829 . 1 1 70 70 ASP H H 1 8.280 0.001 . . . . . A 70 ASP H . 34141 1 830 . 1 1 70 70 ASP C C 13 175.787 0.002 . . . . . A 70 ASP C . 34141 1 831 . 1 1 70 70 ASP CA C 13 54.249 0.046 . . . . . A 70 ASP CA . 34141 1 832 . 1 1 70 70 ASP CB C 13 41.374 0.025 . . . . . A 70 ASP CB . 34141 1 833 . 1 1 70 70 ASP N N 15 121.417 0.012 . . . . . A 70 ASP N . 34141 1 834 . 1 1 71 71 LYS H H 1 8.106 0.001 . . . . . A 71 LYS H . 34141 1 835 . 1 1 71 71 LYS HB2 H 1 1.823 0.000 . . . . . A 71 LYS HB2 . 34141 1 836 . 1 1 71 71 LYS HB3 H 1 1.727 0.000 . . . . . A 71 LYS HB3 . 34141 1 837 . 1 1 71 71 LYS HG2 H 1 1.398 0.000 . . . . . A 71 LYS HG2 . 34141 1 838 . 1 1 71 71 LYS HG3 H 1 1.398 0.000 . . . . . A 71 LYS HG3 . 34141 1 839 . 1 1 71 71 LYS HD2 H 1 1.596 0.000 . . . . . A 71 LYS HD2 . 34141 1 840 . 1 1 71 71 LYS HD3 H 1 1.596 0.000 . . . . . A 71 LYS HD3 . 34141 1 841 . 1 1 71 71 LYS HE2 H 1 2.990 0.000 . . . . . A 71 LYS HE2 . 34141 1 842 . 1 1 71 71 LYS HE3 H 1 2.990 0.000 . . . . . A 71 LYS HE3 . 34141 1 843 . 1 1 71 71 LYS C C 13 176.176 0.002 . . . . . A 71 LYS C . 34141 1 844 . 1 1 71 71 LYS CA C 13 56.084 0.024 . . . . . A 71 LYS CA . 34141 1 845 . 1 1 71 71 LYS CB C 13 33.028 0.112 . . . . . A 71 LYS CB . 34141 1 846 . 1 1 71 71 LYS CG C 13 24.731 0.000 . . . . . A 71 LYS CG . 34141 1 847 . 1 1 71 71 LYS CD C 13 29.141 0.000 . . . . . A 71 LYS CD . 34141 1 848 . 1 1 71 71 LYS CE C 13 42.187 0.003 . . . . . A 71 LYS CE . 34141 1 849 . 1 1 71 71 LYS N N 15 121.364 0.005 . . . . . A 71 LYS N . 34141 1 850 . 1 1 72 72 LYS H H 1 8.321 0.002 . . . . . A 72 LYS H . 34141 1 851 . 1 1 72 72 LYS HA H 1 4.427 0.127 . . . . . A 72 LYS HA . 34141 1 852 . 1 1 72 72 LYS HB2 H 1 1.796 0.000 . . . . . A 72 LYS HB2 . 34141 1 853 . 1 1 72 72 LYS HB3 H 1 1.722 0.000 . . . . . A 72 LYS HB3 . 34141 1 854 . 1 1 72 72 LYS HG2 H 1 1.438 0.000 . . . . . A 72 LYS HG2 . 34141 1 855 . 1 1 72 72 LYS HG3 H 1 1.438 0.000 . . . . . A 72 LYS HG3 . 34141 1 856 . 1 1 72 72 LYS HD2 H 1 1.672 0.000 . . . . . A 72 LYS HD2 . 34141 1 857 . 1 1 72 72 LYS HD3 H 1 1.672 0.000 . . . . . A 72 LYS HD3 . 34141 1 858 . 1 1 72 72 LYS HE2 H 1 2.979 0.000 . . . . . A 72 LYS HE2 . 34141 1 859 . 1 1 72 72 LYS HE3 H 1 2.979 0.000 . . . . . A 72 LYS HE3 . 34141 1 860 . 1 1 72 72 LYS C C 13 174.462 0.000 . . . . . A 72 LYS C . 34141 1 861 . 1 1 72 72 LYS CA C 13 54.328 0.025 . . . . . A 72 LYS CA . 34141 1 862 . 1 1 72 72 LYS CB C 13 32.496 0.044 . . . . . A 72 LYS CB . 34141 1 863 . 1 1 72 72 LYS CG C 13 24.606 0.000 . . . . . A 72 LYS CG . 34141 1 864 . 1 1 72 72 LYS CD C 13 29.213 0.000 . . . . . A 72 LYS CD . 34141 1 865 . 1 1 72 72 LYS CE C 13 42.239 0.000 . . . . . A 72 LYS CE . 34141 1 866 . 1 1 72 72 LYS N N 15 123.809 0.015 . . . . . A 72 LYS N . 34141 1 867 . 1 1 73 73 PRO HA H 1 4.402 0.000 . . . . . A 73 PRO HA . 34141 1 868 . 1 1 73 73 PRO HB2 H 1 2.275 0.000 . . . . . A 73 PRO HB2 . 34141 1 869 . 1 1 73 73 PRO HB3 H 1 1.906 0.000 . . . . . A 73 PRO HB3 . 34141 1 870 . 1 1 73 73 PRO HG2 H 1 2.009 0.000 . . . . . A 73 PRO HG2 . 34141 1 871 . 1 1 73 73 PRO HG3 H 1 1.966 0.000 . . . . . A 73 PRO HG3 . 34141 1 872 . 1 1 73 73 PRO HD2 H 1 3.791 0.000 . . . . . A 73 PRO HD2 . 34141 1 873 . 1 1 73 73 PRO HD3 H 1 3.592 0.000 . . . . . A 73 PRO HD3 . 34141 1 874 . 1 1 73 73 PRO C C 13 176.654 0.003 . . . . . A 73 PRO C . 34141 1 875 . 1 1 73 73 PRO CA C 13 63.194 0.036 . . . . . A 73 PRO CA . 34141 1 876 . 1 1 73 73 PRO CB C 13 32.109 0.030 . . . . . A 73 PRO CB . 34141 1 877 . 1 1 73 73 PRO CG C 13 27.512 0.020 . . . . . A 73 PRO CG . 34141 1 878 . 1 1 73 73 PRO CD C 13 50.675 0.012 . . . . . A 73 PRO CD . 34141 1 879 . 1 1 74 74 ALA H H 1 8.412 0.001 . . . . . A 74 ALA H . 34141 1 880 . 1 1 74 74 ALA HA H 1 4.315 0.000 . . . . . A 74 ALA HA . 34141 1 881 . 1 1 74 74 ALA HB1 H 1 1.406 0.000 . . . . . A 74 ALA HB1 . 34141 1 882 . 1 1 74 74 ALA HB2 H 1 1.406 0.000 . . . . . A 74 ALA HB2 . 34141 1 883 . 1 1 74 74 ALA HB3 H 1 1.406 0.000 . . . . . A 74 ALA HB3 . 34141 1 884 . 1 1 74 74 ALA C C 13 178.235 0.005 . . . . . A 74 ALA C . 34141 1 885 . 1 1 74 74 ALA CA C 13 52.669 0.044 . . . . . A 74 ALA CA . 34141 1 886 . 1 1 74 74 ALA CB C 13 19.375 0.034 . . . . . A 74 ALA CB . 34141 1 887 . 1 1 74 74 ALA N N 15 124.316 0.004 . . . . . A 74 ALA N . 34141 1 888 . 1 1 75 75 GLY H H 1 8.280 0.001 . . . . . A 75 GLY H . 34141 1 889 . 1 1 75 75 GLY HA2 H 1 3.924 0.000 . . . . . A 75 GLY HA2 . 34141 1 890 . 1 1 75 75 GLY HA3 H 1 3.924 0.000 . . . . . A 75 GLY HA3 . 34141 1 891 . 1 1 75 75 GLY C C 13 173.899 0.005 . . . . . A 75 GLY C . 34141 1 892 . 1 1 75 75 GLY CA C 13 45.299 0.034 . . . . . A 75 GLY CA . 34141 1 893 . 1 1 75 75 GLY N N 15 107.777 0.016 . . . . . A 75 GLY N . 34141 1 894 . 1 1 76 76 GLU H H 1 8.173 0.001 . . . . . A 76 GLU H . 34141 1 895 . 1 1 76 76 GLU HA H 1 4.241 0.000 . . . . . A 76 GLU HA . 34141 1 896 . 1 1 76 76 GLU HB2 H 1 1.919 0.000 . . . . . A 76 GLU HB2 . 34141 1 897 . 1 1 76 76 GLU HB3 H 1 1.812 0.000 . . . . . A 76 GLU HB3 . 34141 1 898 . 1 1 76 76 GLU HG2 H 1 2.136 0.000 . . . . . A 76 GLU HG2 . 34141 1 899 . 1 1 76 76 GLU HG3 H 1 2.072 0.000 . . . . . A 76 GLU HG3 . 34141 1 900 . 1 1 76 76 GLU C C 13 175.949 0.003 . . . . . A 76 GLU C . 34141 1 901 . 1 1 76 76 GLU CA C 13 56.482 0.062 . . . . . A 76 GLU CA . 34141 1 902 . 1 1 76 76 GLU CB C 13 30.473 0.050 . . . . . A 76 GLU CB . 34141 1 903 . 1 1 76 76 GLU CG C 13 36.221 0.039 . . . . . A 76 GLU CG . 34141 1 904 . 1 1 76 76 GLU N N 15 120.296 0.017 . . . . . A 76 GLU N . 34141 1 905 . 1 1 77 77 PHE H H 1 8.217 0.001 . . . . . A 77 PHE H . 34141 1 906 . 1 1 77 77 PHE HA H 1 4.634 0.000 . . . . . A 77 PHE HA . 34141 1 907 . 1 1 77 77 PHE HB2 H 1 3.118 0.000 . . . . . A 77 PHE HB2 . 34141 1 908 . 1 1 77 77 PHE HB3 H 1 2.991 0.002 . . . . . A 77 PHE HB3 . 34141 1 909 . 1 1 77 77 PHE HD1 H 1 7.219 0.000 . . . . . A 77 PHE HD1 . 34141 1 910 . 1 1 77 77 PHE HD2 H 1 7.219 0.000 . . . . . A 77 PHE HD2 . 34141 1 911 . 1 1 77 77 PHE C C 13 175.058 0.000 . . . . . A 77 PHE C . 34141 1 912 . 1 1 77 77 PHE CA C 13 57.533 0.058 . . . . . A 77 PHE CA . 34141 1 913 . 1 1 77 77 PHE CB C 13 39.725 0.150 . . . . . A 77 PHE CB . 34141 1 914 . 1 1 77 77 PHE N N 15 121.018 0.005 . . . . . A 77 PHE N . 34141 1 915 . 1 1 78 78 ILE H H 1 8.027 0.003 . . . . . A 78 ILE H . 34141 1 916 . 1 1 78 78 ILE HA H 1 4.162 0.002 . . . . . A 78 ILE HA . 34141 1 917 . 1 1 78 78 ILE HB H 1 1.770 0.000 . . . . . A 78 ILE HB . 34141 1 918 . 1 1 78 78 ILE HG12 H 1 1.426 0.000 . . . . . A 78 ILE HG12 . 34141 1 919 . 1 1 78 78 ILE HG13 H 1 1.118 0.000 . . . . . A 78 ILE HG13 . 34141 1 920 . 1 1 78 78 ILE HG21 H 1 0.829 0.000 . . . . . A 78 ILE HG21 . 34141 1 921 . 1 1 78 78 ILE HG22 H 1 0.829 0.000 . . . . . A 78 ILE HG22 . 34141 1 922 . 1 1 78 78 ILE HG23 H 1 0.829 0.000 . . . . . A 78 ILE HG23 . 34141 1 923 . 1 1 78 78 ILE HD11 H 1 0.812 0.000 . . . . . A 78 ILE HD11 . 34141 1 924 . 1 1 78 78 ILE HD12 H 1 0.812 0.000 . . . . . A 78 ILE HD12 . 34141 1 925 . 1 1 78 78 ILE HD13 H 1 0.812 0.000 . . . . . A 78 ILE HD13 . 34141 1 926 . 1 1 78 78 ILE C C 13 175.586 0.001 . . . . . A 78 ILE C . 34141 1 927 . 1 1 78 78 ILE CA C 13 60.718 0.053 . . . . . A 78 ILE CA . 34141 1 928 . 1 1 78 78 ILE CB C 13 38.896 0.036 . . . . . A 78 ILE CB . 34141 1 929 . 1 1 78 78 ILE CG1 C 13 27.271 0.016 . . . . . A 78 ILE CG1 . 34141 1 930 . 1 1 78 78 ILE CG2 C 13 17.433 0.000 . . . . . A 78 ILE CG2 . 34141 1 931 . 1 1 78 78 ILE CD1 C 13 12.714 0.000 . . . . . A 78 ILE CD1 . 34141 1 932 . 1 1 78 78 ILE N N 15 123.639 0.028 . . . . . A 78 ILE N . 34141 1 933 . 1 1 79 79 VAL H H 1 8.293 0.001 . . . . . A 79 VAL H . 34141 1 934 . 1 1 79 79 VAL HA H 1 4.176 0.000 . . . . . A 79 VAL HA . 34141 1 935 . 1 1 79 79 VAL HB H 1 2.061 0.000 . . . . . A 79 VAL HB . 34141 1 936 . 1 1 79 79 VAL HG11 H 1 0.961 0.000 . . . . . A 79 VAL HG11 . 34141 1 937 . 1 1 79 79 VAL HG12 H 1 0.961 0.000 . . . . . A 79 VAL HG12 . 34141 1 938 . 1 1 79 79 VAL HG13 H 1 0.961 0.000 . . . . . A 79 VAL HG13 . 34141 1 939 . 1 1 79 79 VAL HG21 H 1 0.961 0.000 . . . . . A 79 VAL HG21 . 34141 1 940 . 1 1 79 79 VAL HG22 H 1 0.961 0.000 . . . . . A 79 VAL HG22 . 34141 1 941 . 1 1 79 79 VAL HG23 H 1 0.961 0.000 . . . . . A 79 VAL HG23 . 34141 1 942 . 1 1 79 79 VAL C C 13 176.207 0.001 . . . . . A 79 VAL C . 34141 1 943 . 1 1 79 79 VAL CA C 13 62.325 0.038 . . . . . A 79 VAL CA . 34141 1 944 . 1 1 79 79 VAL CB C 13 32.817 0.031 . . . . . A 79 VAL CB . 34141 1 945 . 1 1 79 79 VAL CG1 C 13 21.093 0.032 . . . . . A 79 VAL CG1 . 34141 1 946 . 1 1 79 79 VAL N N 15 125.694 0.004 . . . . . A 79 VAL N . 34141 1 947 . 1 1 80 80 THR H H 1 8.286 0.001 . . . . . A 80 THR H . 34141 1 948 . 1 1 80 80 THR HA H 1 4.418 0.000 . . . . . A 80 THR HA . 34141 1 949 . 1 1 80 80 THR HB H 1 4.286 0.000 . . . . . A 80 THR HB . 34141 1 950 . 1 1 80 80 THR HG21 H 1 1.170 0.000 . . . . . A 80 THR HG21 . 34141 1 951 . 1 1 80 80 THR HG22 H 1 1.170 0.000 . . . . . A 80 THR HG22 . 34141 1 952 . 1 1 80 80 THR HG23 H 1 1.170 0.000 . . . . . A 80 THR HG23 . 34141 1 953 . 1 1 80 80 THR C C 13 173.471 0.002 . . . . . A 80 THR C . 34141 1 954 . 1 1 80 80 THR CA C 13 61.329 0.050 . . . . . A 80 THR CA . 34141 1 955 . 1 1 80 80 THR CB C 13 70.130 0.044 . . . . . A 80 THR CB . 34141 1 956 . 1 1 80 80 THR CG2 C 13 21.358 0.000 . . . . . A 80 THR CG2 . 34141 1 957 . 1 1 80 80 THR N N 15 118.496 0.005 . . . . . A 80 THR N . 34141 1 958 . 1 1 81 81 ASP H H 1 7.945 0.001 . . . . . A 81 ASP H . 34141 1 959 . 1 1 81 81 ASP HA H 1 4.404 0.000 . . . . . A 81 ASP HA . 34141 1 960 . 1 1 81 81 ASP HB2 H 1 2.664 0.000 . . . . . A 81 ASP HB2 . 34141 1 961 . 1 1 81 81 ASP HB3 H 1 2.557 0.000 . . . . . A 81 ASP HB3 . 34141 1 962 . 1 1 81 81 ASP C C 13 171.333 0.000 . . . . . A 81 ASP C . 34141 1 963 . 1 1 81 81 ASP CA C 13 55.992 0.012 . . . . . A 81 ASP CA . 34141 1 964 . 1 1 81 81 ASP CB C 13 42.300 0.038 . . . . . A 81 ASP CB . 34141 1 965 . 1 1 81 81 ASP N N 15 128.197 0.006 . . . . . A 81 ASP N . 34141 1 stop_ save_