data_27767 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27767 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for bacteriophage protein Gp46 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-01-26 _Entry.Accession_date 2019-01-26 _Entry.Last_release_date 2019-01-28 _Entry.Original_release_date 2019-01-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Bing Liu . . . . 27767 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27767 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 355 27767 '15N chemical shifts' 76 27767 '1H chemical shifts' 558 27767 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-04-17 2019-01-26 update BMRB 'update entry citation' 27767 1 . . 2019-03-08 2019-01-26 original author 'original release' 27767 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27767 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30830594 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N NMR assignments of Bacillus subtilis bacteriophage SPO1 protein Gp46 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 245 _Citation.Page_last 247 _Citation.Year 2019 _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 Peipei Zhang P. . . . 27767 1 2 Zhihao Wang Z. . . . 27767 1 3 Siyu Zhao S. . . . 27767 1 4 Yawen Wang Y. . . . 27767 1 5 Steve Matthews S. . . . 27767 1 6 Bing Liu B. . . . 27767 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27767 _Assembly.ID 1 _Assembly.Name 'Gp46 monomer' _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 Gp46 1 $Gp46 A . yes native no no . . . 27767 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Gp46 _Entity.Sf_category entity _Entity.Sf_framecode Gp46 _Entity.Entry_ID 27767 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Gp46 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MMTEDQKFKYLTKIEELEAG CFSDWTKEDITGDLKYLKKG IIEESIELIRAVNGLTYSEE LHDFTQEIIEELDISPL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27767 1 2 . MET . 27767 1 3 . THR . 27767 1 4 . GLU . 27767 1 5 . ASP . 27767 1 6 . GLN . 27767 1 7 . LYS . 27767 1 8 . PHE . 27767 1 9 . LYS . 27767 1 10 . TYR . 27767 1 11 . LEU . 27767 1 12 . THR . 27767 1 13 . LYS . 27767 1 14 . ILE . 27767 1 15 . GLU . 27767 1 16 . GLU . 27767 1 17 . LEU . 27767 1 18 . GLU . 27767 1 19 . ALA . 27767 1 20 . GLY . 27767 1 21 . CYS . 27767 1 22 . PHE . 27767 1 23 . SER . 27767 1 24 . ASP . 27767 1 25 . TRP . 27767 1 26 . THR . 27767 1 27 . LYS . 27767 1 28 . GLU . 27767 1 29 . ASP . 27767 1 30 . ILE . 27767 1 31 . THR . 27767 1 32 . GLY . 27767 1 33 . ASP . 27767 1 34 . LEU . 27767 1 35 . LYS . 27767 1 36 . TYR . 27767 1 37 . LEU . 27767 1 38 . LYS . 27767 1 39 . LYS . 27767 1 40 . GLY . 27767 1 41 . ILE . 27767 1 42 . ILE . 27767 1 43 . GLU . 27767 1 44 . GLU . 27767 1 45 . SER . 27767 1 46 . ILE . 27767 1 47 . GLU . 27767 1 48 . LEU . 27767 1 49 . ILE . 27767 1 50 . ARG . 27767 1 51 . ALA . 27767 1 52 . VAL . 27767 1 53 . ASN . 27767 1 54 . GLY . 27767 1 55 . LEU . 27767 1 56 . THR . 27767 1 57 . TYR . 27767 1 58 . SER . 27767 1 59 . GLU . 27767 1 60 . GLU . 27767 1 61 . LEU . 27767 1 62 . HIS . 27767 1 63 . ASP . 27767 1 64 . PHE . 27767 1 65 . THR . 27767 1 66 . GLN . 27767 1 67 . GLU . 27767 1 68 . ILE . 27767 1 69 . ILE . 27767 1 70 . GLU . 27767 1 71 . GLU . 27767 1 72 . LEU . 27767 1 73 . ASP . 27767 1 74 . ILE . 27767 1 75 . SER . 27767 1 76 . PRO . 27767 1 77 . LEU . 27767 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27767 1 . MET 2 2 27767 1 . THR 3 3 27767 1 . GLU 4 4 27767 1 . ASP 5 5 27767 1 . GLN 6 6 27767 1 . LYS 7 7 27767 1 . PHE 8 8 27767 1 . LYS 9 9 27767 1 . TYR 10 10 27767 1 . LEU 11 11 27767 1 . THR 12 12 27767 1 . LYS 13 13 27767 1 . ILE 14 14 27767 1 . GLU 15 15 27767 1 . GLU 16 16 27767 1 . LEU 17 17 27767 1 . GLU 18 18 27767 1 . ALA 19 19 27767 1 . GLY 20 20 27767 1 . CYS 21 21 27767 1 . PHE 22 22 27767 1 . SER 23 23 27767 1 . ASP 24 24 27767 1 . TRP 25 25 27767 1 . THR 26 26 27767 1 . LYS 27 27 27767 1 . GLU 28 28 27767 1 . ASP 29 29 27767 1 . ILE 30 30 27767 1 . THR 31 31 27767 1 . GLY 32 32 27767 1 . ASP 33 33 27767 1 . LEU 34 34 27767 1 . LYS 35 35 27767 1 . TYR 36 36 27767 1 . LEU 37 37 27767 1 . LYS 38 38 27767 1 . LYS 39 39 27767 1 . GLY 40 40 27767 1 . ILE 41 41 27767 1 . ILE 42 42 27767 1 . GLU 43 43 27767 1 . GLU 44 44 27767 1 . SER 45 45 27767 1 . ILE 46 46 27767 1 . GLU 47 47 27767 1 . LEU 48 48 27767 1 . ILE 49 49 27767 1 . ARG 50 50 27767 1 . ALA 51 51 27767 1 . VAL 52 52 27767 1 . ASN 53 53 27767 1 . GLY 54 54 27767 1 . LEU 55 55 27767 1 . THR 56 56 27767 1 . TYR 57 57 27767 1 . SER 58 58 27767 1 . GLU 59 59 27767 1 . GLU 60 60 27767 1 . LEU 61 61 27767 1 . HIS 62 62 27767 1 . ASP 63 63 27767 1 . PHE 64 64 27767 1 . THR 65 65 27767 1 . GLN 66 66 27767 1 . GLU 67 67 27767 1 . ILE 68 68 27767 1 . ILE 69 69 27767 1 . GLU 70 70 27767 1 . GLU 71 71 27767 1 . LEU 72 72 27767 1 . ASP 73 73 27767 1 . ILE 74 74 27767 1 . SER 75 75 27767 1 . PRO 76 76 27767 1 . LEU 77 77 27767 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 27767 _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 $Gp46 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27767 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 27767 _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 $Gp46 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-SUMO . . 'SUMO tag removed by SUMO protease' 27767 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27767 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Gp46 '[U-100% 13C; U-100% 15N]' . . 1 $Gp46 . . 0.5 . . mM . . . . 27767 1 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 27767 1 3 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 27767 1 4 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27767 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 27767 _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' 0.35 . M 27767 1 pH 6.5 . pH 27767 1 pressure 1 . atm 27767 1 temperature 300 . K 27767 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27767 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27767 1 'Johnson, One Moon Scientific' . . 27767 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27767 1 processing 27767 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27767 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27767 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27767 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 27767 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27767 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27767 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27767 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27767 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27767 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27767 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27767 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27767 1 9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27767 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27767 1 11 '3D (H)CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27767 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27767 _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 water protons . . . . ppm 4.8 internal indirect 0.251449530 . . . . . 27767 1 H 1 water protons . . . . ppm 4.8 internal indirect 1 . . . . . 27767 1 N 15 water protons . . . . ppm 4.8 internal indirect 0.101329118 . . . . . 27767 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27767 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 27767 1 2 '3D CBCA(CO)NH' . . . 27767 1 3 '3D HNCO' . . . 27767 1 4 '3D HNCACB' . . . 27767 1 5 '3D HN(CA)CO' . . . 27767 1 6 '3D HCCH-TOCSY' . . . 27767 1 7 '3D 1H-15N NOESY' . . . 27767 1 8 '3D 1H-13C NOESY aliphatic' . . . 27767 1 9 '2D 1H-13C HSQC aromatic' . . . 27767 1 10 '3D HBHA(CO)NH' . . . 27767 1 11 '3D (H)CCH-TOCSY' . . . 27767 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 MET HA H 1 4.738 . . 1 . . . . . 2 MET HA . 27767 1 2 . 1 1 2 2 MET HB2 H 1 1.988 . . 2 . . . . . 2 MET HB1 . 27767 1 3 . 1 1 2 2 MET HB3 H 1 1.981 . . 2 . . . . . 2 MET HB2 . 27767 1 4 . 1 1 2 2 MET HG2 H 1 2.524 . . 2 . . . . . 2 MET HG1 . 27767 1 5 . 1 1 2 2 MET HG3 H 1 2.524 . . 2 . . . . . 2 MET HG2 . 27767 1 6 . 1 1 2 2 MET C C 13 175.806 . . 1 . . . . . 2 MET C . 27767 1 7 . 1 1 2 2 MET CA C 13 55.017 . . 1 . . . . . 2 MET CA . 27767 1 8 . 1 1 2 2 MET CB C 13 36.065 . . 1 . . . . . 2 MET CB . 27767 1 9 . 1 1 2 2 MET CG C 13 29.999 . . 1 . . . . . 2 MET CG . 27767 1 10 . 1 1 3 3 THR H H 1 8.750 . . 1 . . . . . 3 THR HN . 27767 1 11 . 1 1 3 3 THR HA H 1 4.480 . . 1 . . . . . 3 THR HA . 27767 1 12 . 1 1 3 3 THR HB H 1 4.699 . . 1 . . . . . 3 THR HB . 27767 1 13 . 1 1 3 3 THR HG21 H 1 1.276 . . 1 . . . . . 3 THR HG21 . 27767 1 14 . 1 1 3 3 THR HG22 H 1 1.276 . . 1 . . . . . 3 THR HG21 . 27767 1 15 . 1 1 3 3 THR HG23 H 1 1.276 . . 1 . . . . . 3 THR HG21 . 27767 1 16 . 1 1 3 3 THR C C 13 175.189 . . 1 . . . . . 3 THR C . 27767 1 17 . 1 1 3 3 THR CA C 13 60.157 . . 1 . . . . . 3 THR CA . 27767 1 18 . 1 1 3 3 THR CB C 13 71.276 . . 1 . . . . . 3 THR CB . 27767 1 19 . 1 1 3 3 THR CG2 C 13 19.500 . . 1 . . . . . 3 THR CG2 . 27767 1 20 . 1 1 3 3 THR N N 15 115.411 . . 1 . . . . . 3 THR N . 27767 1 21 . 1 1 4 4 GLU H H 1 9.002 . . 1 . . . . . 4 GLU HN . 27767 1 22 . 1 1 4 4 GLU HA H 1 3.930 . . 1 . . . . . 4 GLU HA . 27767 1 23 . 1 1 4 4 GLU HB2 H 1 2.004 . . 2 . . . . . 4 GLU HB1 . 27767 1 24 . 1 1 4 4 GLU HB3 H 1 2.004 . . 2 . . . . . 4 GLU HB2 . 27767 1 25 . 1 1 4 4 GLU HG2 H 1 2.256 . . 2 . . . . . 4 GLU HG1 . 27767 1 26 . 1 1 4 4 GLU HG3 H 1 2.256 . . 2 . . . . . 4 GLU HG2 . 27767 1 27 . 1 1 4 4 GLU C C 13 178.387 . . 1 . . . . . 4 GLU C . 27767 1 28 . 1 1 4 4 GLU CA C 13 59.129 . . 1 . . . . . 4 GLU CA . 27767 1 29 . 1 1 4 4 GLU CB C 13 29.554 . . 1 . . . . . 4 GLU CB . 27767 1 30 . 1 1 4 4 GLU CG C 13 34.146 . . 1 . . . . . 4 GLU CG . 27767 1 31 . 1 1 4 4 GLU N N 15 121.891 . . 1 . . . . . 4 GLU N . 27767 1 32 . 1 1 5 5 ASP H H 1 8.246 . . 1 . . . . . 5 ASP HN . 27767 1 33 . 1 1 5 5 ASP HA H 1 4.389 . . 1 . . . . . 5 ASP HA . 27767 1 34 . 1 1 5 5 ASP HB2 H 1 2.500 . . 2 . . . . . 5 ASP HB1 . 27767 1 35 . 1 1 5 5 ASP HB3 H 1 2.500 . . 2 . . . . . 5 ASP HB2 . 27767 1 36 . 1 1 5 5 ASP CA C 13 56.387 . . 1 . . . . . 5 ASP CA . 27767 1 37 . 1 1 5 5 ASP CB C 13 41.12 . . 1 . . . . . 5 ASP CB . 27767 1 38 . 1 1 5 5 ASP N N 15 117.649 . . 1 . . . . . 5 ASP N . 27767 1 39 . 1 1 6 6 GLN H H 1 7.631 . . 1 . . . . . 6 GLN HN . 27767 1 40 . 1 1 6 6 GLN HA H 1 3.534 . . 1 . . . . . 6 GLN HA . 27767 1 41 . 1 1 6 6 GLN HB2 H 1 1.721 . . 2 . . . . . 6 GLN HB1 . 27767 1 42 . 1 1 6 6 GLN HB3 H 1 2.151 . . 2 . . . . . 6 GLN HB2 . 27767 1 43 . 1 1 6 6 GLN HG2 H 1 2.209 . . 2 . . . . . 6 GLN HG1 . 27767 1 44 . 1 1 6 6 GLN HG3 H 1 2.215 . . 2 . . . . . 6 GLN HG2 . 27767 1 45 . 1 1 6 6 GLN C C 13 175.737 . . 1 . . . . . 6 GLN C . 27767 1 46 . 1 1 6 6 GLN CA C 13 58.187 . . 1 . . . . . 6 GLN CA . 27767 1 47 . 1 1 6 6 GLN CB C 13 28.869 . . 1 . . . . . 6 GLN CB . 27767 1 48 . 1 1 6 6 GLN CG C 13 32.000 . . 1 . . . . . 6 GLN CG . 27767 1 49 . 1 1 6 6 GLN N N 15 121.437 . . 1 . . . . . 6 GLN N . 27767 1 50 . 1 1 7 7 LYS H H 1 8.055 . . 1 . . . . . 7 LYS HN . 27767 1 51 . 1 1 7 7 LYS HA H 1 3.690 . . 1 . . . . . 7 LYS HA . 27767 1 52 . 1 1 7 7 LYS HB2 H 1 1.761 . . 2 . . . . . 7 LYS HB1 . 27767 1 53 . 1 1 7 7 LYS HB3 H 1 1.751 . . 2 . . . . . 7 LYS HB2 . 27767 1 54 . 1 1 7 7 LYS HG2 H 1 1.361 . . 2 . . . . . 7 LYS HG1 . 27767 1 55 . 1 1 7 7 LYS HG3 H 1 1.363 . . 2 . . . . . 7 LYS HG2 . 27767 1 56 . 1 1 7 7 LYS HD2 H 1 1.752 . . 2 . . . . . 7 LYS HD1 . 27767 1 57 . 1 1 7 7 LYS HD3 H 1 1.752 . . 2 . . . . . 7 LYS HD2 . 27767 1 58 . 1 1 7 7 LYS HE2 H 1 3.045 . . 2 . . . . . 7 LYS HE1 . 27767 1 59 . 1 1 7 7 LYS HE3 H 1 3.035 . . 2 . . . . . 7 LYS HE2 . 27767 1 60 . 1 1 7 7 LYS C C 13 177.779 . . 1 . . . . . 7 LYS C . 27767 1 61 . 1 1 7 7 LYS CA C 13 60.414 . . 1 . . . . . 7 LYS CA . 27767 1 62 . 1 1 7 7 LYS CB C 13 32.724 . . 1 . . . . . 7 LYS CB . 27767 1 63 . 1 1 7 7 LYS CG C 13 22.837 . . 1 . . . . . 7 LYS CG . 27767 1 64 . 1 1 7 7 LYS CD C 13 27.500 . . 1 . . . . . 7 LYS CD . 27767 1 65 . 1 1 7 7 LYS CE C 13 39.380 . . 1 . . . . . 7 LYS CE . 27767 1 66 . 1 1 7 7 LYS N N 15 118.498 . . 1 . . . . . 7 LYS N . 27767 1 67 . 1 1 8 8 PHE H H 1 8.145 . . 1 . . . . . 8 PHE HN . 27767 1 68 . 1 1 8 8 PHE HA H 1 4.202 . . 1 . . . . . 8 PHE HA . 27767 1 69 . 1 1 8 8 PHE HB2 H 1 3.086 . . 2 . . . . . 8 PHE HB1 . 27767 1 70 . 1 1 8 8 PHE HB3 H 1 3.183 . . 2 . . . . . 8 PHE HB2 . 27767 1 71 . 1 1 8 8 PHE HD1 H 1 7.224 . . 3 . . . . . 8 PHE HD1 . 27767 1 72 . 1 1 8 8 PHE HD2 H 1 7.224 . . 3 . . . . . 8 PHE HD2 . 27767 1 73 . 1 1 8 8 PHE HE1 H 1 7.230 . . 3 . . . . . 8 PHE HE1 . 27767 1 74 . 1 1 8 8 PHE HE2 H 1 7.224 . . 3 . . . . . 8 PHE HE2 . 27767 1 75 . 1 1 8 8 PHE C C 13 178.412 . . 1 . . . . . 8 PHE C . 27767 1 76 . 1 1 8 8 PHE CA C 13 60.5 . . 1 . . . . . 8 PHE CA . 27767 1 77 . 1 1 8 8 PHE CB C 13 39.064 . . 1 . . . . . 8 PHE CB . 27767 1 78 . 1 1 8 8 PHE CD1 C 13 128.929 . . 3 . . . . . 8 PHE CD1 . 27767 1 79 . 1 1 8 8 PHE CD2 C 13 128.929 . . 3 . . . . . 8 PHE CD2 . 27767 1 80 . 1 1 8 8 PHE CE1 C 13 128.400 . . 3 . . . . . 8 PHE CE1 . 27767 1 81 . 1 1 8 8 PHE CE2 C 13 128.400 . . 3 . . . . . 8 PHE CE2 . 27767 1 82 . 1 1 8 8 PHE N N 15 116.8 . . 1 . . . . . 8 PHE N . 27767 1 83 . 1 1 9 9 LYS H H 1 7.909 . . 1 . . . . . 9 LYS HN . 27767 1 84 . 1 1 9 9 LYS HA H 1 3.920 . . 1 . . . . . 9 LYS HA . 27767 1 85 . 1 1 9 9 LYS HB2 H 1 1.791 . . 2 . . . . . 9 LYS HB1 . 27767 1 86 . 1 1 9 9 LYS HB3 H 1 1.791 . . 2 . . . . . 9 LYS HB2 . 27767 1 87 . 1 1 9 9 LYS HG2 H 1 1.390 . . 2 . . . . . 9 LYS HG1 . 27767 1 88 . 1 1 9 9 LYS HG3 H 1 1.390 . . 2 . . . . . 9 LYS HG2 . 27767 1 89 . 1 1 9 9 LYS HD2 H 1 1.436 . . 2 . . . . . 9 LYS HD1 . 27767 1 90 . 1 1 9 9 LYS HD3 H 1 1.436 . . 2 . . . . . 9 LYS HD2 . 27767 1 91 . 1 1 9 9 LYS HE2 H 1 2.824 . . 2 . . . . . 9 LYS HE1 . 27767 1 92 . 1 1 9 9 LYS HE3 H 1 2.830 . . 2 . . . . . 9 LYS HE2 . 27767 1 93 . 1 1 9 9 LYS C C 13 179.532 . . 1 . . . . . 9 LYS C . 27767 1 94 . 1 1 9 9 LYS CA C 13 59.129 . . 1 . . . . . 9 LYS CA . 27767 1 95 . 1 1 9 9 LYS CB C 13 32.296 . . 1 . . . . . 9 LYS CB . 27767 1 96 . 1 1 9 9 LYS CG C 13 22.089 . . 1 . . . . . 9 LYS CG . 27767 1 97 . 1 1 9 9 LYS CD C 13 27.323 . . 1 . . . . . 9 LYS CD . 27767 1 98 . 1 1 9 9 LYS CE C 13 39.493 . . 1 . . . . . 9 LYS CE . 27767 1 99 . 1 1 9 9 LYS N N 15 123.058 . . 1 . . . . . 9 LYS N . 27767 1 100 . 1 1 10 10 TYR H H 1 8.260 . . 1 . . . . . 10 TYR HN . 27767 1 101 . 1 1 10 10 TYR HA H 1 4.749 . . 1 . . . . . 10 TYR HA . 27767 1 102 . 1 1 10 10 TYR HB2 H 1 3.110 . . 2 . . . . . 10 TYR HB1 . 27767 1 103 . 1 1 10 10 TYR HB3 H 1 3.120 . . 2 . . . . . 10 TYR HB2 . 27767 1 104 . 1 1 10 10 TYR HD1 H 1 6.925 . . 3 . . . . . 10 TYR HD1 . 27767 1 105 . 1 1 10 10 TYR HD2 H 1 6.925 . . 3 . . . . . 10 TYR HD2 . 27767 1 106 . 1 1 10 10 TYR HE1 H 1 6.678 . . 3 . . . . . 10 TYR HE1 . 27767 1 107 . 1 1 10 10 TYR HE2 H 1 6.672 . . 3 . . . . . 10 TYR HE2 . 27767 1 108 . 1 1 10 10 TYR C C 13 178.478 . . 1 . . . . . 10 TYR C . 27767 1 109 . 1 1 10 10 TYR CA C 13 58.015 . . 1 . . . . . 10 TYR CA . 27767 1 110 . 1 1 10 10 TYR CB C 13 37.95 . . 1 . . . . . 10 TYR CB . 27767 1 111 . 1 1 10 10 TYR CD1 C 13 128.900 . . 3 . . . . . 10 TYR CD1 . 27767 1 112 . 1 1 10 10 TYR CD2 C 13 128.900 . . 3 . . . . . 10 TYR CD2 . 27767 1 113 . 1 1 10 10 TYR CE1 C 13 115.400 . . 3 . . . . . 10 TYR CE1 . 27767 1 114 . 1 1 10 10 TYR CE2 C 13 115.400 . . 3 . . . . . 10 TYR CE2 . 27767 1 115 . 1 1 10 10 TYR N N 15 119.867 . . 1 . . . . . 10 TYR N . 27767 1 116 . 1 1 11 11 LEU H H 1 8.859 . . 1 . . . . . 11 LEU HN . 27767 1 117 . 1 1 11 11 LEU HA H 1 4.080 . . 1 . . . . . 11 LEU HA . 27767 1 118 . 1 1 11 11 LEU HB2 H 1 1.501 . . 2 . . . . . 11 LEU HB1 . 27767 1 119 . 1 1 11 11 LEU HB3 H 1 1.851 . . 2 . . . . . 11 LEU HB2 . 27767 1 120 . 1 1 11 11 LEU HG H 1 1.505 . . 1 . . . . . 11 LEU HG . 27767 1 121 . 1 1 11 11 LEU HD11 H 1 0.869 . . 2 . . . . . 11 LEU HD11 . 27767 1 122 . 1 1 11 11 LEU HD12 H 1 0.869 . . 2 . . . . . 11 LEU HD11 . 27767 1 123 . 1 1 11 11 LEU HD13 H 1 0.869 . . 2 . . . . . 11 LEU HD11 . 27767 1 124 . 1 1 11 11 LEU HD21 H 1 0.869 . . 2 . . . . . 11 LEU HD21 . 27767 1 125 . 1 1 11 11 LEU HD22 H 1 0.869 . . 2 . . . . . 11 LEU HD21 . 27767 1 126 . 1 1 11 11 LEU HD23 H 1 0.869 . . 2 . . . . . 11 LEU HD21 . 27767 1 127 . 1 1 11 11 LEU C C 13 179.506 . . 1 . . . . . 11 LEU C . 27767 1 128 . 1 1 11 11 LEU CA C 13 57.673 . . 1 . . . . . 11 LEU CA . 27767 1 129 . 1 1 11 11 LEU CB C 13 41.291 . . 1 . . . . . 11 LEU CB . 27767 1 130 . 1 1 11 11 LEU CG C 13 24.5 . . 1 . . . . . 11 LEU CG . 27767 1 131 . 1 1 11 11 LEU CD1 C 13 19.940 . . 2 . . . . . 11 LEU CD1 . 27767 1 132 . 1 1 11 11 LEU CD2 C 13 19.973 . . 2 . . . . . 11 LEU CD2 . 27767 1 133 . 1 1 11 11 LEU N N 15 119.472 . . 1 . . . . . 11 LEU N . 27767 1 134 . 1 1 12 12 THR H H 1 8.216 . . 1 . . . . . 12 THR HN . 27767 1 135 . 1 1 12 12 THR HA H 1 3.818 . . 1 . . . . . 12 THR HA . 27767 1 136 . 1 1 12 12 THR HB H 1 4.022 . . 1 . . . . . 12 THR HB . 27767 1 137 . 1 1 12 12 THR HG21 H 1 1.079 . . 1 . . . . . 12 THR HG21 . 27767 1 138 . 1 1 12 12 THR HG22 H 1 1.079 . . 1 . . . . . 12 THR HG21 . 27767 1 139 . 1 1 12 12 THR HG23 H 1 1.079 . . 1 . . . . . 12 THR HG21 . 27767 1 140 . 1 1 12 12 THR C C 13 175.806 . . 1 . . . . . 12 THR C . 27767 1 141 . 1 1 12 12 THR CA C 13 66.24 . . 1 . . . . . 12 THR CA . 27767 1 142 . 1 1 12 12 THR CB C 13 68.963 . . 1 . . . . . 12 THR CB . 27767 1 143 . 1 1 12 12 THR CG2 C 13 19.116 . . 1 . . . . . 12 THR CG2 . 27767 1 144 . 1 1 12 12 THR N N 15 117.547 . . 1 . . . . . 12 THR N . 27767 1 145 . 1 1 13 13 LYS H H 1 7.457 . . 1 . . . . . 13 LYS HN . 27767 1 146 . 1 1 13 13 LYS HA H 1 4.060 . . 1 . . . . . 13 LYS HA . 27767 1 147 . 1 1 13 13 LYS HB2 H 1 1.841 . . 2 . . . . . 13 LYS HB1 . 27767 1 148 . 1 1 13 13 LYS HB3 H 1 1.841 . . 2 . . . . . 13 LYS HB2 . 27767 1 149 . 1 1 13 13 LYS HG2 H 1 0.859 . . 2 . . . . . 13 LYS HG1 . 27767 1 150 . 1 1 13 13 LYS HG3 H 1 0.859 . . 2 . . . . . 13 LYS HG2 . 27767 1 151 . 1 1 13 13 LYS HD2 H 1 1.805 . . 2 . . . . . 13 LYS HD1 . 27767 1 152 . 1 1 13 13 LYS HD3 H 1 1.799 . . 2 . . . . . 13 LYS HD2 . 27767 1 153 . 1 1 13 13 LYS HE2 H 1 2.383 . . 2 . . . . . 13 LYS HE1 . 27767 1 154 . 1 1 13 13 LYS HE3 H 1 2.388 . . 2 . . . . . 13 LYS HE2 . 27767 1 155 . 1 1 13 13 LYS C C 13 178.25 . . 1 . . . . . 13 LYS C . 27767 1 156 . 1 1 13 13 LYS CA C 13 57.844 . . 1 . . . . . 13 LYS CA . 27767 1 157 . 1 1 13 13 LYS CB C 13 31.702 . . 1 . . . . . 13 LYS CB . 27767 1 158 . 1 1 13 13 LYS CG C 13 21.902 . . 1 . . . . . 13 LYS CG . 27767 1 159 . 1 1 13 13 LYS CD C 13 26.202 . . 1 . . . . . 13 LYS CD . 27767 1 160 . 1 1 13 13 LYS CE C 13 39.5 . . 1 . . . . . 13 LYS CE . 27767 1 161 . 1 1 13 13 LYS N N 15 122.988 . . 1 . . . . . 13 LYS N . 27767 1 162 . 1 1 14 14 ILE H H 1 8.133 . . 1 . . . . . 14 ILE HN . 27767 1 163 . 1 1 14 14 ILE HA H 1 3.486 . . 1 . . . . . 14 ILE HA . 27767 1 164 . 1 1 14 14 ILE HB H 1 2.071 . . 1 . . . . . 14 ILE HB . 27767 1 165 . 1 1 14 14 ILE HG12 H 1 1.158 . . 9 . . . . . 14 ILE HG11 . 27767 1 166 . 1 1 14 14 ILE HG13 H 1 1.158 . . 9 . . . . . 14 ILE HG12 . 27767 1 167 . 1 1 14 14 ILE HG21 H 1 0.869 . . 1 . . . . . 14 ILE HG21 . 27767 1 168 . 1 1 14 14 ILE HG22 H 1 0.869 . . 1 . . . . . 14 ILE HG21 . 27767 1 169 . 1 1 14 14 ILE HG23 H 1 0.869 . . 1 . . . . . 14 ILE HG21 . 27767 1 170 . 1 1 14 14 ILE HD11 H 1 0.757 . . 1 . . . . . 14 ILE HD11 . 27767 1 171 . 1 1 14 14 ILE HD12 H 1 0.757 . . 1 . . . . . 14 ILE HD11 . 27767 1 172 . 1 1 14 14 ILE HD13 H 1 0.757 . . 1 . . . . . 14 ILE HD11 . 27767 1 173 . 1 1 14 14 ILE C C 13 176.56 . . 1 . . . . . 14 ILE C . 27767 1 174 . 1 1 14 14 ILE CA C 13 65.212 . . 1 . . . . . 14 ILE CA . 27767 1 175 . 1 1 14 14 ILE CB C 13 37.95 . . 1 . . . . . 14 ILE CB . 27767 1 176 . 1 1 14 14 ILE CG1 C 13 27.790 . . 1 . . . . . 14 ILE CG1 . 27767 1 177 . 1 1 14 14 ILE CG2 C 13 14.706 . . 1 . . . . . 14 ILE CG2 . 27767 1 178 . 1 1 14 14 ILE CD1 C 13 11.020 . . 1 . . . . . 14 ILE CD1 . 27767 1 179 . 1 1 14 14 ILE N N 15 119.42 . . 1 . . . . . 14 ILE N . 27767 1 180 . 1 1 15 15 GLU H H 1 7.997 . . 1 . . . . . 15 GLU HN . 27767 1 181 . 1 1 15 15 GLU HA H 1 4.080 . . 1 . . . . . 15 GLU HA . 27767 1 182 . 1 1 15 15 GLU HB2 H 1 1.961 . . 2 . . . . . 15 GLU HB1 . 27767 1 183 . 1 1 15 15 GLU HB3 H 1 2.191 . . 2 . . . . . 15 GLU HB2 . 27767 1 184 . 1 1 15 15 GLU HG2 H 1 2.373 . . 2 . . . . . 15 GLU HG1 . 27767 1 185 . 1 1 15 15 GLU HG3 H 1 2.373 . . 2 . . . . . 15 GLU HG2 . 27767 1 186 . 1 1 15 15 GLU C C 13 179.278 . . 1 . . . . . 15 GLU C . 27767 1 187 . 1 1 15 15 GLU CA C 13 58.872 . . 1 . . . . . 15 GLU CA . 27767 1 188 . 1 1 15 15 GLU CB C 13 29.64 . . 1 . . . . . 15 GLU CB . 27767 1 189 . 1 1 15 15 GLU CG C 13 34.053 . . 1 . . . . . 15 GLU CG . 27767 1 190 . 1 1 15 15 GLU N N 15 119.983 . . 1 . . . . . 15 GLU N . 27767 1 191 . 1 1 16 16 GLU H H 1 7.760 . . 1 . . . . . 16 GLU HN . 27767 1 192 . 1 1 16 16 GLU HA H 1 4.000 . . 1 . . . . . 16 GLU HA . 27767 1 193 . 1 1 16 16 GLU HB2 H 1 2.021 . . 2 . . . . . 16 GLU HB1 . 27767 1 194 . 1 1 16 16 GLU HB3 H 1 2.191 . . 2 . . . . . 16 GLU HB2 . 27767 1 195 . 1 1 16 16 GLU HG2 H 1 2.430 . . 2 . . . . . 16 GLU HG1 . 27767 1 196 . 1 1 16 16 GLU HG3 H 1 2.430 . . 2 . . . . . 16 GLU HG2 . 27767 1 197 . 1 1 16 16 GLU C C 13 179.506 . . 1 . . . . . 16 GLU C . 27767 1 198 . 1 1 16 16 GLU CA C 13 58.786 . . 1 . . . . . 16 GLU CA . 27767 1 199 . 1 1 16 16 GLU CB C 13 29.811 . . 1 . . . . . 16 GLU CB . 27767 1 200 . 1 1 16 16 GLU CG C 13 33.492 . . 1 . . . . . 16 GLU CG . 27767 1 201 . 1 1 16 16 GLU N N 15 120.794 . . 1 . . . . . 16 GLU N . 27767 1 202 . 1 1 17 17 LEU H H 1 8.202 . . 1 . . . . . 17 LEU HN . 27767 1 203 . 1 1 17 17 LEU HA H 1 4.023 . . 1 . . . . . 17 LEU HA . 27767 1 204 . 1 1 17 17 LEU HB2 H 1 1.922 . . 2 . . . . . 17 LEU HB1 . 27767 1 205 . 1 1 17 17 LEU HB3 H 1 1.922 . . 2 . . . . . 17 LEU HB2 . 27767 1 206 . 1 1 17 17 LEU HG H 1 1.521 . . 1 . . . . . 17 LEU HG . 27767 1 207 . 1 1 17 17 LEU HD11 H 1 0.853 . . 2 . . . . . 17 LEU HD11 . 27767 1 208 . 1 1 17 17 LEU HD12 H 1 0.853 . . 2 . . . . . 17 LEU HD11 . 27767 1 209 . 1 1 17 17 LEU HD13 H 1 0.853 . . 2 . . . . . 17 LEU HD11 . 27767 1 210 . 1 1 17 17 LEU HD21 H 1 0.853 . . 2 . . . . . 17 LEU HD21 . 27767 1 211 . 1 1 17 17 LEU HD22 H 1 0.853 . . 2 . . . . . 17 LEU HD21 . 27767 1 212 . 1 1 17 17 LEU HD23 H 1 0.853 . . 2 . . . . . 17 LEU HD21 . 27767 1 213 . 1 1 17 17 LEU C C 13 179.821 . . 1 . . . . . 17 LEU C . 27767 1 214 . 1 1 17 17 LEU CA C 13 56.816 . . 1 . . . . . 17 LEU CA . 27767 1 215 . 1 1 17 17 LEU CB C 13 42.405 . . 1 . . . . . 17 LEU CB . 27767 1 216 . 1 1 17 17 LEU CG C 13 23.865 . . 1 . . . . . 17 LEU CG . 27767 1 217 . 1 1 17 17 LEU CD1 C 13 21.000 . . 1 . . . . . 17 LEU CD1 . 27767 1 218 . 1 1 17 17 LEU CD2 C 13 21.001 . . 2 . . . . . 17 LEU CD2 . 27767 1 219 . 1 1 17 17 LEU N N 15 121.621 . . 1 . . . . . 17 LEU N . 27767 1 220 . 1 1 18 18 GLU H H 1 8.689 . . 1 . . . . . 18 GLU HN . 27767 1 221 . 1 1 18 18 GLU HA H 1 3.770 . . 1 . . . . . 18 GLU HA . 27767 1 222 . 1 1 18 18 GLU HB2 H 1 2.167 . . 2 . . . . . 18 GLU HB1 . 27767 1 223 . 1 1 18 18 GLU HB3 H 1 1.938 . . 2 . . . . . 18 GLU HB2 . 27767 1 224 . 1 1 18 18 GLU HG2 H 1 2.146 . . 2 . . . . . 18 GLU HG1 . 27767 1 225 . 1 1 18 18 GLU HG3 H 1 2.152 . . 2 . . . . . 18 GLU HG2 . 27767 1 226 . 1 1 18 18 GLU C C 13 177.816 . . 1 . . . . . 18 GLU C . 27767 1 227 . 1 1 18 18 GLU CA C 13 58.872 . . 1 . . . . . 18 GLU CA . 27767 1 228 . 1 1 18 18 GLU CB C 13 30.582 . . 1 . . . . . 18 GLU CB . 27767 1 229 . 1 1 18 18 GLU CG C 13 33.959 . . 1 . . . . . 18 GLU CG . 27767 1 230 . 1 1 18 18 GLU N N 15 120.455 . . 1 . . . . . 18 GLU N . 27767 1 231 . 1 1 19 19 ALA H H 1 7.764 . . 1 . . . . . 19 ALA HN . 27767 1 232 . 1 1 19 19 ALA HA H 1 4.229 . . 1 . . . . . 19 ALA HA . 27767 1 233 . 1 1 19 19 ALA HB1 H 1 1.481 . . 1 . . . . . 19 ALA HB1 . 27767 1 234 . 1 1 19 19 ALA HB2 H 1 1.481 . . 1 . . . . . 19 ALA HB1 . 27767 1 235 . 1 1 19 19 ALA HB3 H 1 1.481 . . 1 . . . . . 19 ALA HB1 . 27767 1 236 . 1 1 19 19 ALA C C 13 179.212 . . 1 . . . . . 19 ALA C . 27767 1 237 . 1 1 19 19 ALA CA C 13 53.218 . . 1 . . . . . 19 ALA CA . 27767 1 238 . 1 1 19 19 ALA CB C 13 18.759 . . 1 . . . . . 19 ALA CB . 27767 1 239 . 1 1 19 19 ALA N N 15 120.463 . . 1 . . . . . 19 ALA N . 27767 1 240 . 1 1 20 20 GLY H H 1 7.772 . . 1 . . . . . 20 GLY HN . 27767 1 241 . 1 1 20 20 GLY HA2 H 1 3.930 . . 2 . . . . . 20 GLY HA1 . 27767 1 242 . 1 1 20 20 GLY HA3 H 1 3.930 . . 2 . . . . . 20 GLY HA2 . 27767 1 243 . 1 1 20 20 GLY C C 13 174.655 . . 1 . . . . . 20 GLY C . 27767 1 244 . 1 1 20 20 GLY CA C 13 45.25 . . 1 . . . . . 20 GLY CA . 27767 1 245 . 1 1 20 20 GLY N N 15 106.07 . . 1 . . . . . 20 GLY N . 27767 1 246 . 1 1 21 21 CYS H H 1 7.781 . . 1 . . . . . 21 CYS HN . 27767 1 247 . 1 1 21 21 CYS HA H 1 4.259 . . 1 . . . . . 21 CYS HA . 27767 1 248 . 1 1 21 21 CYS HB2 H 1 2.713 . . 2 . . . . . 21 CYS HB1 . 27767 1 249 . 1 1 21 21 CYS HB3 H 1 2.713 . . 2 . . . . . 21 CYS HB2 . 27767 1 250 . 1 1 21 21 CYS C C 13 174.635 . . 1 . . . . . 21 CYS C . 27767 1 251 . 1 1 21 21 CYS CA C 13 60.071 . . 1 . . . . . 21 CYS CA . 27767 1 252 . 1 1 21 21 CYS CB C 13 27.412 . . 1 . . . . . 21 CYS CB . 27767 1 253 . 1 1 21 21 CYS N N 15 119.316 . . 1 . . . . . 21 CYS N . 27767 1 254 . 1 1 22 22 PHE H H 1 8.049 . . 1 . . . . . 22 PHE HN . 27767 1 255 . 1 1 22 22 PHE HA H 1 4.606 . . 1 . . . . . 22 PHE HA . 27767 1 256 . 1 1 22 22 PHE HB2 H 1 3.020 . . 2 . . . . . 22 PHE HB1 . 27767 1 257 . 1 1 22 22 PHE HB3 H 1 3.230 . . 2 . . . . . 22 PHE HB2 . 27767 1 258 . 1 1 22 22 PHE HD1 H 1 7.198 . . 3 . . . . . 22 PHE HD1 . 27767 1 259 . 1 1 22 22 PHE HD2 H 1 7.198 . . 3 . . . . . 22 PHE HD2 . 27767 1 260 . 1 1 22 22 PHE HE1 H 1 7.198 . . 3 . . . . . 22 PHE HE1 . 27767 1 261 . 1 1 22 22 PHE HE2 H 1 7.193 . . 3 . . . . . 22 PHE HE2 . 27767 1 262 . 1 1 22 22 PHE C C 13 176.08 . . 1 . . . . . 22 PHE C . 27767 1 263 . 1 1 22 22 PHE CA C 13 57.33 . . 1 . . . . . 22 PHE CA . 27767 1 264 . 1 1 22 22 PHE CB C 13 39.064 . . 1 . . . . . 22 PHE CB . 27767 1 265 . 1 1 22 22 PHE CD1 C 13 128.900 . . 3 . . . . . 22 PHE CD1 . 27767 1 266 . 1 1 22 22 PHE CD2 C 13 128.900 . . 3 . . . . . 22 PHE CD2 . 27767 1 267 . 1 1 22 22 PHE CE1 C 13 129.000 . . 3 . . . . . 22 PHE CE1 . 27767 1 268 . 1 1 22 22 PHE CE2 C 13 129.000 . . 3 . . . . . 22 PHE CE2 . 27767 1 269 . 1 1 22 22 PHE N N 15 120.189 . . 1 . . . . . 22 PHE N . 27767 1 270 . 1 1 23 23 SER H H 1 8.024 . . 1 . . . . . 23 SER HN . 27767 1 271 . 1 1 23 23 SER HA H 1 4.338 . . 1 . . . . . 23 SER HA . 27767 1 272 . 1 1 23 23 SER HB2 H 1 3.820 . . 2 . . . . . 23 SER HB1 . 27767 1 273 . 1 1 23 23 SER HB3 H 1 3.830 . . 2 . . . . . 23 SER HB2 . 27767 1 274 . 1 1 23 23 SER C C 13 174.001 . . 1 . . . . . 23 SER C . 27767 1 275 . 1 1 23 23 SER CA C 13 58.701 . . 1 . . . . . 23 SER CA . 27767 1 276 . 1 1 23 23 SER CB C 13 64.08 . . 1 . . . . . 23 SER CB . 27767 1 277 . 1 1 23 23 SER N N 15 115.616 . . 1 . . . . . 23 SER N . 27767 1 278 . 1 1 24 24 ASP H H 1 8.020 . . 1 . . . . . 24 ASP HN . 27767 1 279 . 1 1 24 24 ASP HA H 1 4.685 . . 1 . . . . . 24 ASP HA . 27767 1 280 . 1 1 24 24 ASP HB2 H 1 2.748 . . 2 . . . . . 24 ASP HB1 . 27767 1 281 . 1 1 24 24 ASP HB3 H 1 2.748 . . 2 . . . . . 24 ASP HB2 . 27767 1 282 . 1 1 24 24 ASP C C 13 175.654 . . 1 . . . . . 24 ASP C . 27767 1 283 . 1 1 24 24 ASP CA C 13 53.475 . . 1 . . . . . 24 ASP CA . 27767 1 284 . 1 1 24 24 ASP CB C 13 41.634 . . 1 . . . . . 24 ASP CB . 27767 1 285 . 1 1 24 24 ASP N N 15 121.122 . . 1 . . . . . 24 ASP N . 27767 1 286 . 1 1 25 25 TRP H H 1 8.085 . . 1 . . . . . 25 TRP HN . 27767 1 287 . 1 1 25 25 TRP HA H 1 4.590 . . 1 . . . . . 25 TRP HA . 27767 1 288 . 1 1 25 25 TRP HB2 H 1 3.350 . . 2 . . . . . 25 TRP HB1 . 27767 1 289 . 1 1 25 25 TRP HB3 H 1 3.350 . . 2 . . . . . 25 TRP HB2 . 27767 1 290 . 1 1 25 25 TRP HD1 H 1 7.273 . . 1 . . . . . 25 TRP HD1 . 27767 1 291 . 1 1 25 25 TRP HE1 H 1 10.070 . . 1 . . . . . 25 TRP HE1 . 27767 1 292 . 1 1 25 25 TRP HE3 H 1 7.009 . . 1 . . . . . 25 TRP HE3 . 27767 1 293 . 1 1 25 25 TRP HZ2 H 1 7.344 . . 1 . . . . . 25 TRP HZ2 . 27767 1 294 . 1 1 25 25 TRP HZ3 H 1 6.993 . . 1 . . . . . 25 TRP HZ3 . 27767 1 295 . 1 1 25 25 TRP HH2 H 1 7.025 . . 1 . . . . . 25 TRP HH2 . 27767 1 296 . 1 1 25 25 TRP C C 13 175.989 . . 1 . . . . . 25 TRP C . 27767 1 297 . 1 1 25 25 TRP CA C 13 58.187 . . 1 . . . . . 25 TRP CA . 27767 1 298 . 1 1 25 25 TRP CB C 13 29.57 . . 1 . . . . . 25 TRP CB . 27767 1 299 . 1 1 25 25 TRP CD1 C 13 124.400 . . 1 . . . . . 25 TRP CD1 . 27767 1 300 . 1 1 25 25 TRP CZ2 C 13 111.900 . . 1 . . . . . 25 TRP CZ2 . 27767 1 301 . 1 1 25 25 TRP CZ3 C 13 118.430 . . 1 . . . . . 25 TRP CZ3 . 27767 1 302 . 1 1 25 25 TRP CH2 C 13 121.400 . . 1 . . . . . 25 TRP CH2 . 27767 1 303 . 1 1 25 25 TRP N N 15 122.445 . . 1 . . . . . 25 TRP N . 27767 1 304 . 1 1 25 25 TRP NE1 N 15 129.600 . . 1 . . . . . 25 TRP NE1 . 27767 1 305 . 1 1 26 26 THR H H 1 7.987 . . 1 . . . . . 26 THR HN . 27767 1 306 . 1 1 26 26 THR HA H 1 4.228 . . 1 . . . . . 26 THR HA . 27767 1 307 . 1 1 26 26 THR HB H 1 4.060 . . 1 . . . . . 26 THR HB . 27767 1 308 . 1 1 26 26 THR HG21 H 1 1.000 . . 1 . . . . . 26 THR HG21 . 27767 1 309 . 1 1 26 26 THR HG22 H 1 1.000 . . 1 . . . . . 26 THR HG21 . 27767 1 310 . 1 1 26 26 THR HG23 H 1 1.000 . . 1 . . . . . 26 THR HG21 . 27767 1 311 . 1 1 26 26 THR C C 13 173.978 . . 1 . . . . . 26 THR C . 27767 1 312 . 1 1 26 26 THR CA C 13 60.842 . . 1 . . . . . 26 THR CA . 27767 1 313 . 1 1 26 26 THR CB C 13 70.163 . . 1 . . . . . 26 THR CB . 27767 1 314 . 1 1 26 26 THR CG2 C 13 17.510 . . 1 . . . . . 26 THR CG2 . 27767 1 315 . 1 1 26 26 THR N N 15 112.095 . . 1 . . . . . 26 THR N . 27767 1 316 . 1 1 27 27 LYS H H 1 7.936 . . 1 . . . . . 27 LYS HN . 27767 1 317 . 1 1 27 27 LYS HA H 1 4.259 . . 1 . . . . . 27 LYS HA . 27767 1 318 . 1 1 27 27 LYS HB2 H 1 1.781 . . 2 . . . . . 27 LYS HB1 . 27767 1 319 . 1 1 27 27 LYS HB3 H 1 1.891 . . 2 . . . . . 27 LYS HB2 . 27767 1 320 . 1 1 27 27 LYS HG2 H 1 1.340 . . 2 . . . . . 27 LYS HG1 . 27767 1 321 . 1 1 27 27 LYS HG3 H 1 1.342 . . 2 . . . . . 27 LYS HG2 . 27767 1 322 . 1 1 27 27 LYS HD2 H 1 1.610 . . 2 . . . . . 27 LYS HD1 . 27767 1 323 . 1 1 27 27 LYS HD3 H 1 1.610 . . 2 . . . . . 27 LYS HD2 . 27767 1 324 . 1 1 27 27 LYS HE2 H 1 2.934 . . 2 . . . . . 27 LYS HE1 . 27767 1 325 . 1 1 27 27 LYS HE3 H 1 2.940 . . 2 . . . . . 27 LYS HE2 . 27767 1 326 . 1 1 27 27 LYS C C 13 176.354 . . 1 . . . . . 27 LYS C . 27767 1 327 . 1 1 27 27 LYS CA C 13 55.873 . . 1 . . . . . 27 LYS CA . 27767 1 328 . 1 1 27 27 LYS CB C 13 33.152 . . 1 . . . . . 27 LYS CB . 27767 1 329 . 1 1 27 27 LYS CG C 13 22.500 . . 1 . . . . . 27 LYS CG . 27767 1 330 . 1 1 27 27 LYS CD C 13 26.556 . . 1 . . . . . 27 LYS CD . 27767 1 331 . 1 1 27 27 LYS CE C 13 39.286 . . 1 . . . . . 27 LYS CE . 27767 1 332 . 1 1 27 27 LYS N N 15 123.473 . . 1 . . . . . 27 LYS N . 27767 1 333 . 1 1 28 28 GLU H H 1 8.051 . . 1 . . . . . 28 GLU HN . 27767 1 334 . 1 1 28 28 GLU HA H 1 4.209 . . 1 . . . . . 28 GLU HA . 27767 1 335 . 1 1 28 28 GLU HB2 H 1 1.881 . . 2 . . . . . 28 GLU HB1 . 27767 1 336 . 1 1 28 28 GLU HB3 H 1 1.891 . . 2 . . . . . 28 GLU HB2 . 27767 1 337 . 1 1 28 28 GLU HG2 H 1 2.209 . . 2 . . . . . 28 GLU HG1 . 27767 1 338 . 1 1 28 28 GLU HG3 H 1 2.215 . . 2 . . . . . 28 GLU HG2 . 27767 1 339 . 1 1 28 28 GLU C C 13 175.67 . . 1 . . . . . 28 GLU C . 27767 1 340 . 1 1 28 28 GLU CA C 13 55.531 . . 1 . . . . . 28 GLU CA . 27767 1 341 . 1 1 28 28 GLU CB C 13 30.925 . . 1 . . . . . 28 GLU CB . 27767 1 342 . 1 1 28 28 GLU CG C 13 34.520 . . 1 . . . . . 28 GLU CG . 27767 1 343 . 1 1 28 28 GLU N N 15 120.38 . . 1 . . . . . 28 GLU N . 27767 1 344 . 1 1 29 29 ASP H H 1 8.580 . . 1 . . . . . 29 ASP HN . 27767 1 345 . 1 1 29 29 ASP HA H 1 4.589 . . 1 . . . . . 29 ASP HA . 27767 1 346 . 1 1 29 29 ASP HB2 H 1 2.751 . . 2 . . . . . 29 ASP HB1 . 27767 1 347 . 1 1 29 29 ASP HB3 H 1 2.745 . . 2 . . . . . 29 ASP HB2 . 27767 1 348 . 1 1 29 29 ASP C C 13 177.413 . . 1 . . . . . 29 ASP C . 27767 1 349 . 1 1 29 29 ASP CA C 13 54.331 . . 1 . . . . . 29 ASP CA . 27767 1 350 . 1 1 29 29 ASP CB C 13 41.034 . . 1 . . . . . 29 ASP CB . 27767 1 351 . 1 1 29 29 ASP N N 15 121.637 . . 1 . . . . . 29 ASP N . 27767 1 352 . 1 1 30 30 ILE H H 1 7.970 . . 1 . . . . . 30 ILE HN . 27767 1 353 . 1 1 30 30 ILE HA H 1 4.685 . . 1 . . . . . 30 ILE HA . 27767 1 354 . 1 1 30 30 ILE HB H 1 2.341 . . 1 . . . . . 30 ILE HB . 27767 1 355 . 1 1 30 30 ILE HG12 H 1 1.184 . . 9 . . . . . 30 ILE HG11 . 27767 1 356 . 1 1 30 30 ILE HG13 H 1 1.190 . . 9 . . . . . 30 ILE HG12 . 27767 1 357 . 1 1 30 30 ILE HG21 H 1 0.880 . . 1 . . . . . 30 ILE HG21 . 27767 1 358 . 1 1 30 30 ILE HG22 H 1 0.880 . . 1 . . . . . 30 ILE HG21 . 27767 1 359 . 1 1 30 30 ILE HG23 H 1 0.880 . . 1 . . . . . 30 ILE HG21 . 27767 1 360 . 1 1 30 30 ILE HD11 H 1 0.882 . . 1 . . . . . 30 ILE HD11 . 27767 1 361 . 1 1 30 30 ILE HD12 H 1 0.882 . . 1 . . . . . 30 ILE HD11 . 27767 1 362 . 1 1 30 30 ILE HD13 H 1 0.882 . . 1 . . . . . 30 ILE HD11 . 27767 1 363 . 1 1 30 30 ILE C C 13 176.08 . . 1 . . . . . 30 ILE C . 27767 1 364 . 1 1 30 30 ILE CA C 13 60.757 . . 1 . . . . . 30 ILE CA . 27767 1 365 . 1 1 30 30 ILE CB C 13 38.892 . . 1 . . . . . 30 ILE CB . 27767 1 366 . 1 1 30 30 ILE CG1 C 13 23.398 . . 1 . . . . . 30 ILE CG1 . 27767 1 367 . 1 1 30 30 ILE CG2 C 13 15.521 . . 1 . . . . . 30 ILE CG2 . 27767 1 368 . 1 1 30 30 ILE CD1 C 13 12.482 . . 1 . . . . . 30 ILE CD1 . 27767 1 369 . 1 1 30 30 ILE N N 15 120.252 . . 1 . . . . . 30 ILE N . 27767 1 370 . 1 1 31 31 THR H H 1 8.553 . . 1 . . . . . 31 THR HN . 27767 1 371 . 1 1 31 31 THR HA H 1 3.820 . . 1 . . . . . 31 THR HA . 27767 1 372 . 1 1 31 31 THR HB H 1 4.219 . . 1 . . . . . 31 THR HB . 27767 1 373 . 1 1 31 31 THR HG21 H 1 1.350 . . 1 . . . . . 31 THR HG21 . 27767 1 374 . 1 1 31 31 THR HG22 H 1 1.350 . . 1 . . . . . 31 THR HG21 . 27767 1 375 . 1 1 31 31 THR HG23 H 1 1.350 . . 1 . . . . . 31 THR HG21 . 27767 1 376 . 1 1 31 31 THR C C 13 176.994 . . 1 . . . . . 31 THR C . 27767 1 377 . 1 1 31 31 THR CA C 13 66.325 . . 1 . . . . . 31 THR CA . 27767 1 378 . 1 1 31 31 THR CB C 13 68.963 . . 1 . . . . . 31 THR CB . 27767 1 379 . 1 1 31 31 THR CG2 C 13 19.566 . . 1 . . . . . 31 THR CG2 . 27767 1 380 . 1 1 31 31 THR N N 15 117.72 . . 1 . . . . . 31 THR N . 27767 1 381 . 1 1 32 32 GLY H H 1 8.510 . . 1 . . . . . 32 GLY HN . 27767 1 382 . 1 1 32 32 GLY HA2 H 1 3.920 . . 2 . . . . . 32 GLY HA1 . 27767 1 383 . 1 1 32 32 GLY HA3 H 1 3.920 . . 2 . . . . . 32 GLY HA2 . 27767 1 384 . 1 1 32 32 GLY C C 13 174.709 . . 1 . . . . . 32 GLY C . 27767 1 385 . 1 1 32 32 GLY CA C 13 46.707 . . 1 . . . . . 32 GLY CA . 27767 1 386 . 1 1 32 32 GLY N N 15 110.883 . . 1 . . . . . 32 GLY N . 27767 1 387 . 1 1 33 33 ASP H H 1 7.756 . . 1 . . . . . 33 ASP HN . 27767 1 388 . 1 1 33 33 ASP HA H 1 4.599 . . 1 . . . . . 33 ASP HA . 27767 1 389 . 1 1 33 33 ASP HB2 H 1 2.611 . . 2 . . . . . 33 ASP HB1 . 27767 1 390 . 1 1 33 33 ASP HB3 H 1 2.611 . . 2 . . . . . 33 ASP HB2 . 27767 1 391 . 1 1 33 33 ASP C C 13 178.27 . . 1 . . . . . 33 ASP C . 27767 1 392 . 1 1 33 33 ASP CA C 13 56.987 . . 1 . . . . . 33 ASP CA . 27767 1 393 . 1 1 33 33 ASP CB C 13 42.662 . . 1 . . . . . 33 ASP CB . 27767 1 394 . 1 1 33 33 ASP N N 15 119.716 . . 1 . . . . . 33 ASP N . 27767 1 395 . 1 1 34 34 LEU H H 1 8.502 . . 1 . . . . . 34 LEU HN . 27767 1 396 . 1 1 34 34 LEU HA H 1 3.920 . . 1 . . . . . 34 LEU HA . 27767 1 397 . 1 1 34 34 LEU HB2 H 1 1.390 . . 2 . . . . . 34 LEU HB1 . 27767 1 398 . 1 1 34 34 LEU HB3 H 1 1.920 . . 2 . . . . . 34 LEU HB2 . 27767 1 399 . 1 1 34 34 LEU HG H 1 1.866 . . 1 . . . . . 34 LEU HG . 27767 1 400 . 1 1 34 34 LEU HD11 H 1 0.865 . . 2 . . . . . 34 LEU HD11 . 27767 1 401 . 1 1 34 34 LEU HD12 H 1 0.865 . . 2 . . . . . 34 LEU HD11 . 27767 1 402 . 1 1 34 34 LEU HD13 H 1 0.865 . . 2 . . . . . 34 LEU HD11 . 27767 1 403 . 1 1 34 34 LEU HD21 H 1 0.865 . . 2 . . . . . 34 LEU HD21 . 27767 1 404 . 1 1 34 34 LEU HD22 H 1 0.865 . . 2 . . . . . 34 LEU HD21 . 27767 1 405 . 1 1 34 34 LEU HD23 H 1 0.865 . . 2 . . . . . 34 LEU HD21 . 27767 1 406 . 1 1 34 34 LEU C C 13 178.013 . . 1 . . . . . 34 LEU C . 27767 1 407 . 1 1 34 34 LEU CA C 13 57.158 . . 1 . . . . . 34 LEU CA . 27767 1 408 . 1 1 34 34 LEU CB C 13 42.405 . . 1 . . . . . 34 LEU CB . 27767 1 409 . 1 1 34 34 LEU CG C 13 24.010 . . 1 . . . . . 34 LEU CG . 27767 1 410 . 1 1 34 34 LEU CD1 C 13 21.500 . . 1 . . . . . 34 LEU CD1 . 27767 1 411 . 1 1 34 34 LEU CD2 C 13 21.500 . . 1 . . . . . 34 LEU CD2 . 27767 1 412 . 1 1 34 34 LEU N N 15 117.156 . . 1 . . . . . 34 LEU N . 27767 1 413 . 1 1 35 35 LYS H H 1 7.557 . . 1 . . . . . 35 LYS HN . 27767 1 414 . 1 1 35 35 LYS HA H 1 3.944 . . 1 . . . . . 35 LYS HA . 27767 1 415 . 1 1 35 35 LYS HB2 H 1 1.721 . . 2 . . . . . 35 LYS HB1 . 27767 1 416 . 1 1 35 35 LYS HB3 H 1 1.721 . . 2 . . . . . 35 LYS HB2 . 27767 1 417 . 1 1 35 35 LYS HG2 H 1 1.405 . . 2 . . . . . 35 LYS HG1 . 27767 1 418 . 1 1 35 35 LYS HG3 H 1 1.406 . . 2 . . . . . 35 LYS HG2 . 27767 1 419 . 1 1 35 35 LYS HD2 H 1 1.400 . . 2 . . . . . 35 LYS HD1 . 27767 1 420 . 1 1 35 35 LYS HD3 H 1 1.405 . . 2 . . . . . 35 LYS HD2 . 27767 1 421 . 1 1 35 35 LYS HE2 H 1 2.840 . . 2 . . . . . 35 LYS HE1 . 27767 1 422 . 1 1 35 35 LYS HE3 H 1 2.846 . . 2 . . . . . 35 LYS HE2 . 27767 1 423 . 1 1 35 35 LYS C C 13 178.41 . . 1 . . . . . 35 LYS C . 27767 1 424 . 1 1 35 35 LYS CA C 13 58.786 . . 1 . . . . . 35 LYS CA . 27767 1 425 . 1 1 35 35 LYS CB C 13 31.953 . . 1 . . . . . 35 LYS CB . 27767 1 426 . 1 1 35 35 LYS CG C 13 21.500 . . 1 . . . . . 35 LYS CG . 27767 1 427 . 1 1 35 35 LYS CD C 13 27.543 . . 1 . . . . . 35 LYS CD . 27767 1 428 . 1 1 35 35 LYS CE C 13 39.493 . . 1 . . . . . 35 LYS CE . 27767 1 429 . 1 1 35 35 LYS N N 15 118.157 . . 1 . . . . . 35 LYS N . 27767 1 430 . 1 1 36 36 TYR H H 1 6.770 . . 1 . . . . . 36 TYR HN . 27767 1 431 . 1 1 36 36 TYR HA H 1 3.500 . . 1 . . . . . 36 TYR HA . 27767 1 432 . 1 1 36 36 TYR HB2 H 1 2.136 . . 2 . . . . . 36 TYR HB1 . 27767 1 433 . 1 1 36 36 TYR HB3 H 1 2.136 . . 2 . . . . . 36 TYR HB2 . 27767 1 434 . 1 1 36 36 TYR HD1 H 1 6.562 . . 3 . . . . . 36 TYR HD1 . 27767 1 435 . 1 1 36 36 TYR HD2 H 1 6.562 . . 3 . . . . . 36 TYR HD2 . 27767 1 436 . 1 1 36 36 TYR HE1 H 1 6.221 . . 3 . . . . . 36 TYR HE1 . 27767 1 437 . 1 1 36 36 TYR HE2 H 1 6.215 . . 3 . . . . . 36 TYR HE2 . 27767 1 438 . 1 1 36 36 TYR C C 13 176.854 . . 1 . . . . . 36 TYR C . 27767 1 439 . 1 1 36 36 TYR CA C 13 61.613 . . 1 . . . . . 36 TYR CA . 27767 1 440 . 1 1 36 36 TYR CB C 13 38.464 . . 1 . . . . . 36 TYR CB . 27767 1 441 . 1 1 36 36 TYR CD1 C 13 130.426 . . 3 . . . . . 36 TYR CD1 . 27767 1 442 . 1 1 36 36 TYR CD2 C 13 130.428 . . 3 . . . . . 36 TYR CD2 . 27767 1 443 . 1 1 36 36 TYR CE1 C 13 114.440 . . 3 . . . . . 36 TYR CE1 . 27767 1 444 . 1 1 36 36 TYR CE2 C 13 114.440 . . 3 . . . . . 36 TYR CE2 . 27767 1 445 . 1 1 36 36 TYR N N 15 118.991 . . 1 . . . . . 36 TYR N . 27767 1 446 . 1 1 37 37 LEU H H 1 8.183 . . 1 . . . . . 37 LEU HN . 27767 1 447 . 1 1 37 37 LEU HA H 1 4.007 . . 1 . . . . . 37 LEU HA . 27767 1 448 . 1 1 37 37 LEU HB2 H 1 1.931 . . 2 . . . . . 37 LEU HB1 . 27767 1 449 . 1 1 37 37 LEU HB3 H 1 1.925 . . 2 . . . . . 37 LEU HB2 . 27767 1 450 . 1 1 37 37 LEU HG H 1 1.530 . . 1 . . . . . 37 LEU HG . 27767 1 451 . 1 1 37 37 LEU HD11 H 1 0.827 . . 2 . . . . . 37 LEU HD11 . 27767 1 452 . 1 1 37 37 LEU HD12 H 1 0.827 . . 2 . . . . . 37 LEU HD11 . 27767 1 453 . 1 1 37 37 LEU HD13 H 1 0.827 . . 2 . . . . . 37 LEU HD11 . 27767 1 454 . 1 1 37 37 LEU HD21 H 1 0.805 . . 2 . . . . . 37 LEU HD21 . 27767 1 455 . 1 1 37 37 LEU HD22 H 1 0.805 . . 2 . . . . . 37 LEU HD21 . 27767 1 456 . 1 1 37 37 LEU HD23 H 1 0.805 . . 2 . . . . . 37 LEU HD21 . 27767 1 457 . 1 1 37 37 LEU C C 13 177.017 . . 1 . . . . . 37 LEU C . 27767 1 458 . 1 1 37 37 LEU CA C 13 56.673 . . 1 . . . . . 37 LEU CA . 27767 1 459 . 1 1 37 37 LEU CB C 13 42.405 . . 1 . . . . . 37 LEU CB . 27767 1 460 . 1 1 37 37 LEU CG C 13 24.239 . . 1 . . . . . 37 LEU CG . 27767 1 461 . 1 1 37 37 LEU CD1 C 13 20.968 . . 2 . . . . . 37 LEU CD1 . 27767 1 462 . 1 1 37 37 LEU CD2 C 13 21.001 . . 2 . . . . . 37 LEU CD2 . 27767 1 463 . 1 1 37 37 LEU N N 15 119.83 . . 1 . . . . . 37 LEU N . 27767 1 464 . 1 1 38 38 LYS H H 1 8.702 . . 1 . . . . . 38 LYS HN . 27767 1 465 . 1 1 38 38 LYS HA H 1 3.548 . . 1 . . . . . 38 LYS HA . 27767 1 466 . 1 1 38 38 LYS HB2 H 1 1.736 . . 2 . . . . . 38 LYS HB1 . 27767 1 467 . 1 1 38 38 LYS HB3 H 1 1.736 . . 2 . . . . . 38 LYS HB2 . 27767 1 468 . 1 1 38 38 LYS HG2 H 1 1.367 . . 2 . . . . . 38 LYS HG1 . 27767 1 469 . 1 1 38 38 LYS HG3 H 1 1.373 . . 2 . . . . . 38 LYS HG2 . 27767 1 470 . 1 1 38 38 LYS HD2 H 1 1.710 . . 2 . . . . . 38 LYS HD1 . 27767 1 471 . 1 1 38 38 LYS HD3 H 1 1.710 . . 2 . . . . . 38 LYS HD2 . 27767 1 472 . 1 1 38 38 LYS HE2 H 1 3.045 . . 2 . . . . . 38 LYS HE1 . 27767 1 473 . 1 1 38 38 LYS HE3 H 1 3.051 . . 2 . . . . . 38 LYS HE2 . 27767 1 474 . 1 1 38 38 LYS C C 13 176.993 . . 1 . . . . . 38 LYS C . 27767 1 475 . 1 1 38 38 LYS CA C 13 60.328 . . 1 . . . . . 38 LYS CA . 27767 1 476 . 1 1 38 38 LYS CB C 13 32.724 . . 1 . . . . . 38 LYS CB . 27767 1 477 . 1 1 38 38 LYS CG C 13 23.500 . . 1 . . . . . 38 LYS CG . 27767 1 478 . 1 1 38 38 LYS CD C 13 26.856 . . 1 . . . . . 38 LYS CD . 27767 1 479 . 1 1 38 38 LYS CE C 13 40.900 . . 1 . . . . . 38 LYS CE . 27767 1 480 . 1 1 38 38 LYS N N 15 118.759 . . 1 . . . . . 38 LYS N . 27767 1 481 . 1 1 39 39 LYS H H 1 6.855 . . 1 . . . . . 39 LYS HN . 27767 1 482 . 1 1 39 39 LYS HA H 1 3.940 . . 1 . . . . . 39 LYS HA . 27767 1 483 . 1 1 39 39 LYS HB2 H 1 1.701 . . 2 . . . . . 39 LYS HB1 . 27767 1 484 . 1 1 39 39 LYS HB3 H 1 1.701 . . 2 . . . . . 39 LYS HB2 . 27767 1 485 . 1 1 39 39 LYS HG2 H 1 1.389 . . 2 . . . . . 39 LYS HG1 . 27767 1 486 . 1 1 39 39 LYS HG3 H 1 1.395 . . 2 . . . . . 39 LYS HG2 . 27767 1 487 . 1 1 39 39 LYS HD2 H 1 1.470 . . 2 . . . . . 39 LYS HD1 . 27767 1 488 . 1 1 39 39 LYS HD3 H 1 1.410 . . 2 . . . . . 39 LYS HD2 . 27767 1 489 . 1 1 39 39 LYS HE2 H 1 2.840 . . 2 . . . . . 39 LYS HE1 . 27767 1 490 . 1 1 39 39 LYS HE3 H 1 2.846 . . 2 . . . . . 39 LYS HE2 . 27767 1 491 . 1 1 39 39 LYS C C 13 177.085 . . 1 . . . . . 39 LYS C . 27767 1 492 . 1 1 39 39 LYS CA C 13 58.529 . . 1 . . . . . 39 LYS CA . 27767 1 493 . 1 1 39 39 LYS CB C 13 33.067 . . 1 . . . . . 39 LYS CB . 27767 1 494 . 1 1 39 39 LYS CG C 13 22.013 . . 1 . . . . . 39 LYS CG . 27767 1 495 . 1 1 39 39 LYS CD C 13 27.417 . . 1 . . . . . 39 LYS CD . 27767 1 496 . 1 1 39 39 LYS CE C 13 39.567 . . 1 . . . . . 39 LYS CE . 27767 1 497 . 1 1 39 39 LYS N N 15 117.624 . . 1 . . . . . 39 LYS N . 27767 1 498 . 1 1 40 40 GLY H H 1 8.151 . . 1 . . . . . 40 GLY HN . 27767 1 499 . 1 1 40 40 GLY HA2 H 1 3.429 . . 2 . . . . . 40 GLY HA1 . 27767 1 500 . 1 1 40 40 GLY HA3 H 1 3.760 . . 2 . . . . . 40 GLY HA2 . 27767 1 501 . 1 1 40 40 GLY C C 13 174.046 . . 1 . . . . . 40 GLY C . 27767 1 502 . 1 1 40 40 GLY CA C 13 47.478 . . 1 . . . . . 40 GLY CA . 27767 1 503 . 1 1 40 40 GLY N N 15 105.041 . . 1 . . . . . 40 GLY N . 27767 1 504 . 1 1 41 41 ILE H H 1 8.308 . . 1 . . . . . 41 ILE HN . 27767 1 505 . 1 1 41 41 ILE HA H 1 3.729 . . 1 . . . . . 41 ILE HA . 27767 1 506 . 1 1 41 41 ILE HB H 1 2.011 . . 1 . . . . . 41 ILE HB . 27767 1 507 . 1 1 41 41 ILE HG12 H 1 1.410 . . 9 . . . . . 41 ILE HG11 . 27767 1 508 . 1 1 41 41 ILE HG13 H 1 1.410 . . 1 . . . . . 41 ILE HG12 . 27767 1 509 . 1 1 41 41 ILE HG21 H 1 0.869 . . 1 . . . . . 41 ILE HG21 . 27767 1 510 . 1 1 41 41 ILE HG22 H 1 0.869 . . 1 . . . . . 41 ILE HG21 . 27767 1 511 . 1 1 41 41 ILE HG23 H 1 0.869 . . 1 . . . . . 41 ILE HG21 . 27767 1 512 . 1 1 41 41 ILE HD11 H 1 0.585 . . 1 . . . . . 41 ILE HD11 . 27767 1 513 . 1 1 41 41 ILE HD12 H 1 0.585 . . 1 . . . . . 41 ILE HD11 . 27767 1 514 . 1 1 41 41 ILE HD13 H 1 0.585 . . 1 . . . . . 41 ILE HD11 . 27767 1 515 . 1 1 41 41 ILE C C 13 177.268 . . 1 . . . . . 41 ILE C . 27767 1 516 . 1 1 41 41 ILE CA C 13 63.156 . . 1 . . . . . 41 ILE CA . 27767 1 517 . 1 1 41 41 ILE CB C 13 37.57 . . 1 . . . . . 41 ILE CB . 27767 1 518 . 1 1 41 41 ILE CG1 C 13 25.547 . . 1 . . . . . 41 ILE CG1 . 27767 1 519 . 1 1 41 41 ILE CG2 C 13 15.547 . . 1 . . . . . 41 ILE CG2 . 27767 1 520 . 1 1 41 41 ILE CD1 C 13 9.939 . . 1 . . . . . 41 ILE CD1 . 27767 1 521 . 1 1 41 41 ILE N N 15 119.834 . . 1 . . . . . 41 ILE N . 27767 1 522 . 1 1 42 42 ILE H H 1 8.454 . . 1 . . . . . 42 ILE HN . 27767 1 523 . 1 1 42 42 ILE HA H 1 3.461 . . 1 . . . . . 42 ILE HA . 27767 1 524 . 1 1 42 42 ILE HB H 1 1.831 . . 1 . . . . . 42 ILE HB . 27767 1 525 . 1 1 42 42 ILE HG12 H 1 1.105 . . 9 . . . . . 42 ILE HG11 . 27767 1 526 . 1 1 42 42 ILE HG13 H 1 1.111 . . 9 . . . . . 42 ILE HG12 . 27767 1 527 . 1 1 42 42 ILE HG21 H 1 0.916 . . 1 . . . . . 42 ILE HG21 . 27767 1 528 . 1 1 42 42 ILE HG22 H 1 0.916 . . 1 . . . . . 42 ILE HG21 . 27767 1 529 . 1 1 42 42 ILE HG23 H 1 0.916 . . 1 . . . . . 42 ILE HG21 . 27767 1 530 . 1 1 42 42 ILE HD11 H 1 0.803 . . 1 . . . . . 42 ILE HD11 . 27767 1 531 . 1 1 42 42 ILE HD12 H 1 0.803 . . 1 . . . . . 42 ILE HD11 . 27767 1 532 . 1 1 42 42 ILE HD13 H 1 0.803 . . 1 . . . . . 42 ILE HD11 . 27767 1 533 . 1 1 42 42 ILE C C 13 178.692 . . 1 . . . . . 42 ILE C . 27767 1 534 . 1 1 42 42 ILE CA C 13 65.811 . . 1 . . . . . 42 ILE CA . 27767 1 535 . 1 1 42 42 ILE CB C 13 38.635 . . 1 . . . . . 42 ILE CB . 27767 1 536 . 1 1 42 42 ILE CG1 C 13 27.697 . . 1 . . . . . 42 ILE CG1 . 27767 1 537 . 1 1 42 42 ILE CG2 C 13 14.425 . . 1 . . . . . 42 ILE CG2 . 27767 1 538 . 1 1 42 42 ILE CD1 C 13 11.154 . . 1 . . . . . 42 ILE CD1 . 27767 1 539 . 1 1 42 42 ILE N N 15 119.488 . . 1 . . . . . 42 ILE N . 27767 1 540 . 1 1 43 43 GLU H H 1 8.389 . . 1 . . . . . 43 GLU HN . 27767 1 541 . 1 1 43 43 GLU HA H 1 4.209 . . 1 . . . . . 43 GLU HA . 27767 1 542 . 1 1 43 43 GLU HB2 H 1 1.701 . . 2 . . . . . 43 GLU HB1 . 27767 1 543 . 1 1 43 43 GLU HB3 H 1 2.171 . . 2 . . . . . 43 GLU HB2 . 27767 1 544 . 1 1 43 43 GLU HG2 H 1 2.373 . . 2 . . . . . 43 GLU HG1 . 27767 1 545 . 1 1 43 43 GLU HG3 H 1 2.373 . . 2 . . . . . 43 GLU HG2 . 27767 1 546 . 1 1 43 43 GLU CA C 13 55.102 . . 1 . . . . . 43 GLU CA . 27767 1 547 . 1 1 43 43 GLU CB C 13 28.355 . . 1 . . . . . 43 GLU CB . 27767 1 548 . 1 1 43 43 GLU CG C 13 34.001 . . 1 . . . . . 43 GLU CG . 27767 1 549 . 1 1 43 43 GLU N N 15 115.525 . . 1 . . . . . 43 GLU N . 27767 1 550 . 1 1 44 44 GLU H H 1 7.554 . . 1 . . . . . 44 GLU HN . 27767 1 551 . 1 1 44 44 GLU HA H 1 3.500 . . 1 . . . . . 44 GLU HA . 27767 1 552 . 1 1 44 44 GLU HB2 H 1 2.121 . . 2 . . . . . 44 GLU HB1 . 27767 1 553 . 1 1 44 44 GLU HB3 H 1 2.121 . . 2 . . . . . 44 GLU HB2 . 27767 1 554 . 1 1 44 44 GLU HG2 H 1 2.309 . . 2 . . . . . 44 GLU HG1 . 27767 1 555 . 1 1 44 44 GLU HG3 H 1 2.309 . . 2 . . . . . 44 GLU HG2 . 27767 1 556 . 1 1 44 44 GLU C C 13 174.435 . . 1 . . . . . 44 GLU C . 27767 1 557 . 1 1 44 44 GLU CA C 13 56.559 . . 1 . . . . . 44 GLU CA . 27767 1 558 . 1 1 44 44 GLU CB C 13 27.241 . . 1 . . . . . 44 GLU CB . 27767 1 559 . 1 1 44 44 GLU CG C 13 34.333 . . 1 . . . . . 44 GLU CG . 27767 1 560 . 1 1 44 44 GLU N N 15 120.636 . . 1 . . . . . 44 GLU N . 27767 1 561 . 1 1 45 45 SER H H 1 9.063 . . 1 . . . . . 45 SER HN . 27767 1 562 . 1 1 45 45 SER HA H 1 3.760 . . 1 . . . . . 45 SER HA . 27767 1 563 . 1 1 45 45 SER HB2 H 1 3.720 . . 2 . . . . . 45 SER HB1 . 27767 1 564 . 1 1 45 45 SER HB3 H 1 3.720 . . 2 . . . . . 45 SER HB2 . 27767 1 565 . 1 1 45 45 SER C C 13 174.846 . . 1 . . . . . 45 SER C . 27767 1 566 . 1 1 45 45 SER CA C 13 54.674 . . 1 . . . . . 45 SER CA . 27767 1 567 . 1 1 45 45 SER CB C 13 63.48 . . 1 . . . . . 45 SER CB . 27767 1 568 . 1 1 45 45 SER N N 15 114.225 . . 1 . . . . . 45 SER N . 27767 1 569 . 1 1 46 46 ILE H H 1 8.725 . . 1 . . . . . 46 ILE HN . 27767 1 570 . 1 1 46 46 ILE HA H 1 3.739 . . 1 . . . . . 46 ILE HA . 27767 1 571 . 1 1 46 46 ILE HB H 1 1.791 . . 1 . . . . . 46 ILE HB . 27767 1 572 . 1 1 46 46 ILE HG12 H 1 1.357 . . 9 . . . . . 46 ILE HG11 . 27767 1 573 . 1 1 46 46 ILE HG13 H 1 1.363 . . 9 . . . . . 46 ILE HG12 . 27767 1 574 . 1 1 46 46 ILE HG21 H 1 0.884 . . 1 . . . . . 46 ILE HG21 . 27767 1 575 . 1 1 46 46 ILE HG22 H 1 0.884 . . 1 . . . . . 46 ILE HG21 . 27767 1 576 . 1 1 46 46 ILE HG23 H 1 0.884 . . 1 . . . . . 46 ILE HG21 . 27767 1 577 . 1 1 46 46 ILE HD11 H 1 0.800 . . 1 . . . . . 46 ILE HD11 . 27767 1 578 . 1 1 46 46 ILE HD12 H 1 0.800 . . 1 . . . . . 46 ILE HD11 . 27767 1 579 . 1 1 46 46 ILE HD13 H 1 0.800 . . 1 . . . . . 46 ILE HD11 . 27767 1 580 . 1 1 46 46 ILE C C 13 176.697 . . 1 . . . . . 46 ILE C . 27767 1 581 . 1 1 46 46 ILE CA C 13 62.299 . . 1 . . . . . 46 ILE CA . 27767 1 582 . 1 1 46 46 ILE CB C 13 38.036 . . 1 . . . . . 46 ILE CB . 27767 1 583 . 1 1 46 46 ILE CG1 C 13 26.295 . . 1 . . . . . 46 ILE CG1 . 27767 1 584 . 1 1 46 46 ILE CG2 C 13 15.500 . . 1 . . . . . 46 ILE CG2 . 27767 1 585 . 1 1 46 46 ILE CD1 C 13 10.593 . . 1 . . . . . 46 ILE CD1 . 27767 1 586 . 1 1 46 46 ILE N N 15 129.672 . . 1 . . . . . 46 ILE N . 27767 1 587 . 1 1 47 47 GLU H H 1 8.707 . . 1 . . . . . 47 GLU HN . 27767 1 588 . 1 1 47 47 GLU HA H 1 3.960 . . 1 . . . . . 47 GLU HA . 27767 1 589 . 1 1 47 47 GLU HB2 H 1 1.689 . . 2 . . . . . 47 GLU HB1 . 27767 1 590 . 1 1 47 47 GLU HB3 H 1 1.861 . . 2 . . . . . 47 GLU HB2 . 27767 1 591 . 1 1 47 47 GLU HG2 H 1 2.183 . . 2 . . . . . 47 GLU HG1 . 27767 1 592 . 1 1 47 47 GLU HG3 H 1 2.183 . . 2 . . . . . 47 GLU HG2 . 27767 1 593 . 1 1 47 47 GLU C C 13 179.758 . . 1 . . . . . 47 GLU C . 27767 1 594 . 1 1 47 47 GLU CA C 13 59.3 . . 1 . . . . . 47 GLU CA . 27767 1 595 . 1 1 47 47 GLU CB C 13 29.982 . . 1 . . . . . 47 GLU CB . 27767 1 596 . 1 1 47 47 GLU CG C 13 33.398 . . 1 . . . . . 47 GLU CG . 27767 1 597 . 1 1 47 47 GLU N N 15 121.271 . . 1 . . . . . 47 GLU N . 27767 1 598 . 1 1 48 48 LEU H H 1 7.717 . . 1 . . . . . 48 LEU HN . 27767 1 599 . 1 1 48 48 LEU HA H 1 3.950 . . 1 . . . . . 48 LEU HA . 27767 1 600 . 1 1 48 48 LEU HB2 H 1 1.361 . . 2 . . . . . 48 LEU HB1 . 27767 1 601 . 1 1 48 48 LEU HB3 H 1 1.701 . . 2 . . . . . 48 LEU HB2 . 27767 1 602 . 1 1 48 48 LEU HG H 1 1.546 . . 1 . . . . . 48 LEU HG . 27767 1 603 . 1 1 48 48 LEU HD11 H 1 0.764 . . 2 . . . . . 48 LEU HD11 . 27767 1 604 . 1 1 48 48 LEU HD12 H 1 0.764 . . 2 . . . . . 48 LEU HD11 . 27767 1 605 . 1 1 48 48 LEU HD13 H 1 0.764 . . 2 . . . . . 48 LEU HD11 . 27767 1 606 . 1 1 48 48 LEU HD21 H 1 0.764 . . 2 . . . . . 48 LEU HD21 . 27767 1 607 . 1 1 48 48 LEU HD22 H 1 0.764 . . 2 . . . . . 48 LEU HD21 . 27767 1 608 . 1 1 48 48 LEU HD23 H 1 0.764 . . 2 . . . . . 48 LEU HD21 . 27767 1 609 . 1 1 48 48 LEU C C 13 177.693 . . 1 . . . . . 48 LEU C . 27767 1 610 . 1 1 48 48 LEU CA C 13 57.416 . . 1 . . . . . 48 LEU CA . 27767 1 611 . 1 1 48 48 LEU CB C 13 42.47 . . 1 . . . . . 48 LEU CB . 27767 1 612 . 1 1 48 48 LEU CG C 13 26.015 . . 1 . . . . . 48 LEU CG . 27767 1 613 . 1 1 48 48 LEU CD1 C 13 21.248 . . 2 . . . . . 48 LEU CD1 . 27767 1 614 . 1 1 48 48 LEU CD2 C 13 21.258 . . 2 . . . . . 48 LEU CD2 . 27767 1 615 . 1 1 48 48 LEU N N 15 120.075 . . 1 . . . . . 48 LEU N . 27767 1 616 . 1 1 49 49 ILE H H 1 7.551 . . 1 . . . . . 49 ILE HN . 27767 1 617 . 1 1 49 49 ILE HA H 1 3.260 . . 1 . . . . . 49 ILE HA . 27767 1 618 . 1 1 49 49 ILE HB H 1 1.611 . . 1 . . . . . 49 ILE HB . 27767 1 619 . 1 1 49 49 ILE HG12 H 1 1.710 . . 9 . . . . . 49 ILE HG11 . 27767 1 620 . 1 1 49 49 ILE HG13 H 1 1.710 . . 9 . . . . . 49 ILE HG12 . 27767 1 621 . 1 1 49 49 ILE HG21 H 1 0.506 . . 1 . . . . . 49 ILE HG21 . 27767 1 622 . 1 1 49 49 ILE HG22 H 1 0.506 . . 1 . . . . . 49 ILE HG21 . 27767 1 623 . 1 1 49 49 ILE HG23 H 1 0.506 . . 1 . . . . . 49 ILE HG21 . 27767 1 624 . 1 1 49 49 ILE HD11 H 1 0.443 . . 1 . . . . . 49 ILE HD11 . 27767 1 625 . 1 1 49 49 ILE HD12 H 1 0.443 . . 1 . . . . . 49 ILE HD11 . 27767 1 626 . 1 1 49 49 ILE HD13 H 1 0.443 . . 1 . . . . . 49 ILE HD11 . 27767 1 627 . 1 1 49 49 ILE C C 13 177.565 . . 1 . . . . . 49 ILE C . 27767 1 628 . 1 1 49 49 ILE CA C 13 65.726 . . 1 . . . . . 49 ILE CA . 27767 1 629 . 1 1 49 49 ILE CB C 13 38.721 . . 1 . . . . . 49 ILE CB . 27767 1 630 . 1 1 49 49 ILE CG1 C 13 26.502 . . 1 . . . . . 49 ILE CG1 . 27767 1 631 . 1 1 49 49 ILE CG2 C 13 13.678 . . 1 . . . . . 49 ILE CG2 . 27767 1 632 . 1 1 49 49 ILE CD1 C 13 10.967 . . 1 . . . . . 49 ILE CD1 . 27767 1 633 . 1 1 49 49 ILE N N 15 118.913 . . 1 . . . . . 49 ILE N . 27767 1 634 . 1 1 50 50 ARG H H 1 8.705 . . 1 . . . . . 50 ARG HN . 27767 1 635 . 1 1 50 50 ARG HA H 1 3.723 . . 1 . . . . . 50 ARG HA . 27767 1 636 . 1 1 50 50 ARG HB2 H 1 1.757 . . 2 . . . . . 50 ARG HB1 . 27767 1 637 . 1 1 50 50 ARG HB3 H 1 1.761 . . 2 . . . . . 50 ARG HB2 . 27767 1 638 . 1 1 50 50 ARG HG2 H 1 1.395 . . 2 . . . . . 50 ARG HG1 . 27767 1 639 . 1 1 50 50 ARG HG3 H 1 1.395 . . 2 . . . . . 50 ARG HG2 . 27767 1 640 . 1 1 50 50 ARG HD2 H 1 3.051 . . 2 . . . . . 50 ARG HD1 . 27767 1 641 . 1 1 50 50 ARG HD3 H 1 3.051 . . 2 . . . . . 50 ARG HD2 . 27767 1 642 . 1 1 50 50 ARG C C 13 178.821 . . 1 . . . . . 50 ARG C . 27767 1 643 . 1 1 50 50 ARG CA C 13 59.215 . . 1 . . . . . 50 ARG CA . 27767 1 644 . 1 1 50 50 ARG CB C 13 30.668 . . 1 . . . . . 50 ARG CB . 27767 1 645 . 1 1 50 50 ARG CG C 13 26.010 . . 1 . . . . . 50 ARG CG . 27767 1 646 . 1 1 50 50 ARG CD C 13 40.875 . . 1 . . . . . 50 ARG CD . 27767 1 647 . 1 1 50 50 ARG N N 15 117.292 . . 1 . . . . . 50 ARG N . 27767 1 648 . 1 1 51 51 ALA H H 1 7.957 . . 1 . . . . . 51 ALA HN . 27767 1 649 . 1 1 51 51 ALA HA H 1 3.930 . . 1 . . . . . 51 ALA HA . 27767 1 650 . 1 1 51 51 ALA HB1 H 1 1.591 . . 1 . . . . . 51 ALA HB1 . 27767 1 651 . 1 1 51 51 ALA HB2 H 1 1.591 . . 1 . . . . . 51 ALA HB1 . 27767 1 652 . 1 1 51 51 ALA HB3 H 1 1.591 . . 1 . . . . . 51 ALA HB1 . 27767 1 653 . 1 1 51 51 ALA C C 13 178.067 . . 1 . . . . . 51 ALA C . 27767 1 654 . 1 1 51 51 ALA CA C 13 55.017 . . 1 . . . . . 51 ALA CA . 27767 1 655 . 1 1 51 51 ALA CB C 13 18.674 . . 1 . . . . . 51 ALA CB . 27767 1 656 . 1 1 51 51 ALA N N 15 122.788 . . 1 . . . . . 51 ALA N . 27767 1 657 . 1 1 52 52 VAL H H 1 7.974 . . 1 . . . . . 52 VAL HN . 27767 1 658 . 1 1 52 52 VAL HA H 1 4.180 . . 1 . . . . . 52 VAL HA . 27767 1 659 . 1 1 52 52 VAL HB H 1 2.031 . . 1 . . . . . 52 VAL HB . 27767 1 660 . 1 1 52 52 VAL HG11 H 1 1.137 . . 2 . . . . . 52 VAL HG11 . 27767 1 661 . 1 1 52 52 VAL HG12 H 1 1.137 . . 2 . . . . . 52 VAL HG11 . 27767 1 662 . 1 1 52 52 VAL HG13 H 1 1.137 . . 2 . . . . . 52 VAL HG11 . 27767 1 663 . 1 1 52 52 VAL HG21 H 1 1.142 . . 2 . . . . . 52 VAL HG21 . 27767 1 664 . 1 1 52 52 VAL HG22 H 1 1.142 . . 2 . . . . . 52 VAL HG21 . 27767 1 665 . 1 1 52 52 VAL HG23 H 1 1.142 . . 2 . . . . . 52 VAL HG21 . 27767 1 666 . 1 1 52 52 VAL C C 13 177.373 . . 1 . . . . . 52 VAL C . 27767 1 667 . 1 1 52 52 VAL CA C 13 64.441 . . 1 . . . . . 52 VAL CA . 27767 1 668 . 1 1 52 52 VAL CB C 13 31.867 . . 1 . . . . . 52 VAL CB . 27767 1 669 . 1 1 52 52 VAL CG1 C 13 18.688 . . 2 . . . . . 52 VAL CG1 . 27767 1 670 . 1 1 52 52 VAL CG2 C 13 18.725 . . 2 . . . . . 52 VAL CG2 . 27767 1 671 . 1 1 52 52 VAL N N 15 118.15 . . 1 . . . . . 52 VAL N . 27767 1 672 . 1 1 53 53 ASN H H 1 7.744 . . 1 . . . . . 53 ASN HN . 27767 1 673 . 1 1 53 53 ASN HA H 1 4.239 . . 1 . . . . . 53 ASN HA . 27767 1 674 . 1 1 53 53 ASN HB2 H 1 2.401 . . 2 . . . . . 53 ASN HB1 . 27767 1 675 . 1 1 53 53 ASN HB3 H 1 2.750 . . 2 . . . . . 53 ASN HB2 . 27767 1 676 . 1 1 53 53 ASN C C 13 176.094 . . 1 . . . . . 53 ASN C . 27767 1 677 . 1 1 53 53 ASN CA C 13 57.416 . . 1 . . . . . 53 ASN CA . 27767 1 678 . 1 1 53 53 ASN CB C 13 41.205 . . 1 . . . . . 53 ASN CB . 27767 1 679 . 1 1 53 53 ASN N N 15 116.01 . . 1 . . . . . 53 ASN N . 27767 1 680 . 1 1 54 54 GLY H H 1 7.850 . . 1 . . . . . 54 GLY HN . 27767 1 681 . 1 1 54 54 GLY HA2 H 1 3.780 . . 2 . . . . . 54 GLY HA1 . 27767 1 682 . 1 1 54 54 GLY HA3 H 1 4.090 . . 2 . . . . . 54 GLY HA2 . 27767 1 683 . 1 1 54 54 GLY C C 13 174.687 . . 1 . . . . . 54 GLY C . 27767 1 684 . 1 1 54 54 GLY CA C 13 45.164 . . 1 . . . . . 54 GLY CA . 27767 1 685 . 1 1 54 54 GLY N N 15 102.535 . . 1 . . . . . 54 GLY N . 27767 1 686 . 1 1 55 55 LEU H H 1 7.941 . . 1 . . . . . 55 LEU HN . 27767 1 687 . 1 1 55 55 LEU HA H 1 4.360 . . 1 . . . . . 55 LEU HA . 27767 1 688 . 1 1 55 55 LEU HB2 H 1 1.351 . . 2 . . . . . 55 LEU HB1 . 27767 1 689 . 1 1 55 55 LEU HB3 H 1 0.616 . . 2 . . . . . 55 LEU HB2 . 27767 1 690 . 1 1 55 55 LEU HG H 1 1.410 . . 1 . . . . . 55 LEU HG . 27767 1 691 . 1 1 55 55 LEU HD11 H 1 -0.072 . . 2 . . . . . 55 LEU HD11 . 27767 1 692 . 1 1 55 55 LEU HD12 H 1 -0.072 . . 2 . . . . . 55 LEU HD11 . 27767 1 693 . 1 1 55 55 LEU HD13 H 1 -0.072 . . 2 . . . . . 55 LEU HD11 . 27767 1 694 . 1 1 55 55 LEU HD21 H 1 0.540 . . 2 . . . . . 55 LEU HD21 . 27767 1 695 . 1 1 55 55 LEU HD22 H 1 0.540 . . 2 . . . . . 55 LEU HD21 . 27767 1 696 . 1 1 55 55 LEU HD23 H 1 0.540 . . 2 . . . . . 55 LEU HD21 . 27767 1 697 . 1 1 55 55 LEU C C 13 177.353 . . 1 . . . . . 55 LEU C . 27767 1 698 . 1 1 55 55 LEU CA C 13 54.074 . . 1 . . . . . 55 LEU CA . 27767 1 699 . 1 1 55 55 LEU CB C 13 43.947 . . 1 . . . . . 55 LEU CB . 27767 1 700 . 1 1 55 55 LEU CG C 13 23.524 . . 1 . . . . . 55 LEU CG . 27767 1 701 . 1 1 55 55 LEU CD1 C 13 22.837 . . 2 . . . . . 55 LEU CD1 . 27767 1 702 . 1 1 55 55 LEU CD2 C 13 20.031 . . 1 . . . . . 55 LEU CD2 . 27767 1 703 . 1 1 55 55 LEU N N 15 118.602 . . 1 . . . . . 55 LEU N . 27767 1 704 . 1 1 56 56 THR H H 1 8.009 . . 1 . . . . . 56 THR HN . 27767 1 705 . 1 1 56 56 THR HA H 1 4.180 . . 1 . . . . . 56 THR HA . 27767 1 706 . 1 1 56 56 THR HB H 1 4.038 . . 1 . . . . . 56 THR HB . 27767 1 707 . 1 1 56 56 THR HG21 H 1 1.079 . . 1 . . . . . 56 THR HG21 . 27767 1 708 . 1 1 56 56 THR HG22 H 1 1.079 . . 1 . . . . . 56 THR HG21 . 27767 1 709 . 1 1 56 56 THR HG23 H 1 1.079 . . 1 . . . . . 56 THR HG21 . 27767 1 710 . 1 1 56 56 THR C C 13 173.356 . . 1 . . . . . 56 THR C . 27767 1 711 . 1 1 56 56 THR CA C 13 61.613 . . 1 . . . . . 56 THR CA . 27767 1 712 . 1 1 56 56 THR CB C 13 69.134 . . 1 . . . . . 56 THR CB . 27767 1 713 . 1 1 56 56 THR CG2 C 13 18.725 . . 1 . . . . . 56 THR CG2 . 27767 1 714 . 1 1 56 56 THR N N 15 116.145 . . 1 . . . . . 56 THR N . 27767 1 715 . 1 1 57 57 TYR H H 1 9.363 . . 1 . . . . . 57 TYR HN . 27767 1 716 . 1 1 57 57 TYR HA H 1 4.689 . . 1 . . . . . 57 TYR HA . 27767 1 717 . 1 1 57 57 TYR HB2 H 1 2.681 . . 2 . . . . . 57 TYR HB1 . 27767 1 718 . 1 1 57 57 TYR HB3 H 1 3.280 . . 2 . . . . . 57 TYR HB2 . 27767 1 719 . 1 1 57 57 TYR HD1 H 1 7.135 . . 3 . . . . . 57 TYR HD1 . 27767 1 720 . 1 1 57 57 TYR HD2 H 1 7.135 . . 3 . . . . . 57 TYR HD2 . 27767 1 721 . 1 1 57 57 TYR HE1 H 1 6.804 . . 3 . . . . . 57 TYR HE1 . 27767 1 722 . 1 1 57 57 TYR HE2 H 1 6.798 . . 3 . . . . . 57 TYR HE2 . 27767 1 723 . 1 1 57 57 TYR C C 13 175.806 . . 1 . . . . . 57 TYR C . 27767 1 724 . 1 1 57 57 TYR CA C 13 56.302 . . 1 . . . . . 57 TYR CA . 27767 1 725 . 1 1 57 57 TYR CB C 13 38.121 . . 1 . . . . . 57 TYR CB . 27767 1 726 . 1 1 57 57 TYR CD1 C 13 129.928 . . 3 . . . . . 57 TYR CD1 . 27767 1 727 . 1 1 57 57 TYR CD2 C 13 129.928 . . 3 . . . . . 57 TYR CD2 . 27767 1 728 . 1 1 57 57 TYR CE1 C 13 115.439 . . 3 . . . . . 57 TYR CE1 . 27767 1 729 . 1 1 57 57 TYR CE2 C 13 115.439 . . 3 . . . . . 57 TYR CE2 . 27767 1 730 . 1 1 57 57 TYR N N 15 127.356 . . 1 . . . . . 57 TYR N . 27767 1 731 . 1 1 58 58 SER H H 1 7.976 . . 1 . . . . . 58 SER HN . 27767 1 732 . 1 1 58 58 SER HA H 1 4.685 . . 1 . . . . . 58 SER HA . 27767 1 733 . 1 1 58 58 SER HB2 H 1 3.807 . . 2 . . . . . 58 SER HB1 . 27767 1 734 . 1 1 58 58 SER HB3 H 1 3.807 . . 2 . . . . . 58 SER HB2 . 27767 1 735 . 1 1 58 58 SER C C 13 175.189 . . 1 . . . . . 58 SER C . 27767 1 736 . 1 1 58 58 SER CA C 13 55.102 . . 1 . . . . . 58 SER CA . 27767 1 737 . 1 1 58 58 SER CB C 13 64.166 . . 1 . . . . . 58 SER CB . 27767 1 738 . 1 1 58 58 SER N N 15 115.203 . . 1 . . . . . 58 SER N . 27767 1 739 . 1 1 59 59 GLU H H 1 9.388 . . 1 . . . . . 59 GLU HN . 27767 1 740 . 1 1 59 59 GLU HA H 1 4.000 . . 1 . . . . . 59 GLU HA . 27767 1 741 . 1 1 59 59 GLU HB2 H 1 2.020 . . 2 . . . . . 59 GLU HB1 . 27767 1 742 . 1 1 59 59 GLU HB3 H 1 2.031 . . 2 . . . . . 59 GLU HB2 . 27767 1 743 . 1 1 59 59 GLU HG2 H 1 2.241 . . 2 . . . . . 59 GLU HG1 . 27767 1 744 . 1 1 59 59 GLU HG3 H 1 2.246 . . 2 . . . . . 59 GLU HG2 . 27767 1 745 . 1 1 59 59 GLU C C 13 177.793 . . 1 . . . . . 59 GLU C . 27767 1 746 . 1 1 59 59 GLU CA C 13 58.958 . . 1 . . . . . 59 GLU CA . 27767 1 747 . 1 1 59 59 GLU CB C 13 29.811 . . 1 . . . . . 59 GLU CB . 27767 1 748 . 1 1 59 59 GLU CG C 13 33.959 . . 1 . . . . . 59 GLU CG . 27767 1 749 . 1 1 59 59 GLU N N 15 134.159 . . 1 . . . . . 59 GLU N . 27767 1 750 . 1 1 60 60 GLU H H 1 8.578 . . 1 . . . . . 60 GLU HN . 27767 1 751 . 1 1 60 60 GLU HA H 1 4.038 . . 1 . . . . . 60 GLU HA . 27767 1 752 . 1 1 60 60 GLU HB2 H 1 2.051 . . 2 . . . . . 60 GLU HB1 . 27767 1 753 . 1 1 60 60 GLU HB3 H 1 2.051 . . 2 . . . . . 60 GLU HB2 . 27767 1 754 . 1 1 60 60 GLU HG2 H 1 2.067 . . 2 . . . . . 60 GLU HG1 . 27767 1 755 . 1 1 60 60 GLU HG3 H 1 2.070 . . 2 . . . . . 60 GLU HG2 . 27767 1 756 . 1 1 60 60 GLU C C 13 179.803 . . 1 . . . . . 60 GLU C . 27767 1 757 . 1 1 60 60 GLU CA C 13 59.129 . . 1 . . . . . 60 GLU CA . 27767 1 758 . 1 1 60 60 GLU CB C 13 29.04 . . 1 . . . . . 60 GLU CB . 27767 1 759 . 1 1 60 60 GLU CG C 13 33.502 . . 1 . . . . . 60 GLU CG . 27767 1 760 . 1 1 60 60 GLU N N 15 119.304 . . 1 . . . . . 60 GLU N . 27767 1 761 . 1 1 61 61 LEU H H 1 8.370 . . 1 . . . . . 61 LEU HN . 27767 1 762 . 1 1 61 61 LEU HA H 1 4.385 . . 1 . . . . . 61 LEU HA . 27767 1 763 . 1 1 61 61 LEU HB2 H 1 1.581 . . 2 . . . . . 61 LEU HB1 . 27767 1 764 . 1 1 61 61 LEU HB3 H 1 1.591 . . 2 . . . . . 61 LEU HB2 . 27767 1 765 . 1 1 61 61 LEU HG H 1 1.690 . . 1 . . . . . 61 LEU HG . 27767 1 766 . 1 1 61 61 LEU HD11 H 1 1.060 . . 2 . . . . . 61 LEU HD11 . 27767 1 767 . 1 1 61 61 LEU HD12 H 1 1.060 . . 2 . . . . . 61 LEU HD11 . 27767 1 768 . 1 1 61 61 LEU HD13 H 1 1.060 . . 2 . . . . . 61 LEU HD11 . 27767 1 769 . 1 1 61 61 LEU HD21 H 1 1.058 . . 2 . . . . . 61 LEU HD21 . 27767 1 770 . 1 1 61 61 LEU HD22 H 1 1.058 . . 2 . . . . . 61 LEU HD21 . 27767 1 771 . 1 1 61 61 LEU HD23 H 1 1.058 . . 2 . . . . . 61 LEU HD21 . 27767 1 772 . 1 1 61 61 LEU C C 13 179.152 . . 1 . . . . . 61 LEU C . 27767 1 773 . 1 1 61 61 LEU CA C 13 56.473 . . 1 . . . . . 61 LEU CA . 27767 1 774 . 1 1 61 61 LEU CB C 13 41.12 . . 1 . . . . . 61 LEU CB . 27767 1 775 . 1 1 61 61 LEU CG C 13 25.080 . . 1 . . . . . 61 LEU CG . 27767 1 776 . 1 1 61 61 LEU CD1 C 13 22.537 . . 1 . . . . . 61 LEU CD1 . 27767 1 777 . 1 1 61 61 LEU CD2 C 13 22.500 . . 1 . . . . . 61 LEU CD2 . 27767 1 778 . 1 1 61 61 LEU N N 15 121.12 . . 1 . . . . . 61 LEU N . 27767 1 779 . 1 1 62 62 HIS H H 1 9.035 . . 1 . . . . . 62 HIS HN . 27767 1 780 . 1 1 62 62 HIS HA H 1 3.980 . . 1 . . . . . 62 HIS HA . 27767 1 781 . 1 1 62 62 HIS HB2 H 1 3.260 . . 2 . . . . . 62 HIS HB1 . 27767 1 782 . 1 1 62 62 HIS HB3 H 1 3.490 . . 2 . . . . . 62 HIS HB2 . 27767 1 783 . 1 1 62 62 HIS HD2 H 1 7.545 . . 1 . . . . . 62 HIS HD2 . 27767 1 784 . 1 1 62 62 HIS HE2 H 1 7.498 . . 1 . . . . . 62 HIS HE2 . 27767 1 785 . 1 1 62 62 HIS C C 13 176.034 . . 1 . . . . . 62 HIS C . 27767 1 786 . 1 1 62 62 HIS CA C 13 59.643 . . 1 . . . . . 62 HIS CA . 27767 1 787 . 1 1 62 62 HIS CB C 13 28.098 . . 1 . . . . . 62 HIS CB . 27767 1 788 . 1 1 62 62 HIS CD2 C 13 118.940 . . 1 . . . . . 62 HIS CD2 . 27767 1 789 . 1 1 62 62 HIS N N 15 123.105 . . 1 . . . . . 62 HIS N . 27767 1 790 . 1 1 62 62 HIS NE2 N 15 181.050 . . 1 . . . . . 62 HIS NE2 . 27767 1 791 . 1 1 63 63 ASP H H 1 8.732 . . 1 . . . . . 63 ASP HN . 27767 1 792 . 1 1 63 63 ASP HA H 1 4.239 . . 1 . . . . . 63 ASP HA . 27767 1 793 . 1 1 63 63 ASP HB2 H 1 2.780 . . 2 . . . . . 63 ASP HB1 . 27767 1 794 . 1 1 63 63 ASP HB3 H 1 2.780 . . 2 . . . . . 63 ASP HB2 . 27767 1 795 . 1 1 63 63 ASP C C 13 178.073 . . 1 . . . . . 63 ASP C . 27767 1 796 . 1 1 63 63 ASP CA C 13 56.987 . . 1 . . . . . 63 ASP CA . 27767 1 797 . 1 1 63 63 ASP CB C 13 39.92 . . 1 . . . . . 63 ASP CB . 27767 1 798 . 1 1 63 63 ASP N N 15 121.308 . . 1 . . . . . 63 ASP N . 27767 1 799 . 1 1 64 64 PHE H H 1 8.003 . . 1 . . . . . 64 PHE HN . 27767 1 800 . 1 1 64 64 PHE HA H 1 4.809 . . 1 . . . . . 64 PHE HA . 27767 1 801 . 1 1 64 64 PHE HB2 H 1 3.090 . . 2 . . . . . 64 PHE HB1 . 27767 1 802 . 1 1 64 64 PHE HB3 H 1 3.537 . . 2 . . . . . 64 PHE HB2 . 27767 1 803 . 1 1 64 64 PHE HD1 H 1 7.200 . . 3 . . . . . 64 PHE HD1 . 27767 1 804 . 1 1 64 64 PHE HD2 H 1 7.200 . . 3 . . . . . 64 PHE HD2 . 27767 1 805 . 1 1 64 64 PHE HE1 H 1 7.214 . . 3 . . . . . 64 PHE HE1 . 27767 1 806 . 1 1 64 64 PHE HE2 H 1 7.200 . . 3 . . . . . 64 PHE HE2 . 27767 1 807 . 1 1 64 64 PHE HZ H 1 7.120 . . 1 . . . . . 64 PHE HZ . 27767 1 808 . 1 1 64 64 PHE C C 13 176.765 . . 1 . . . . . 64 PHE C . 27767 1 809 . 1 1 64 64 PHE CA C 13 58.272 . . 1 . . . . . 64 PHE CA . 27767 1 810 . 1 1 64 64 PHE CB C 13 39.663 . . 1 . . . . . 64 PHE CB . 27767 1 811 . 1 1 64 64 PHE CD1 C 13 128.830 . . 3 . . . . . 64 PHE CD1 . 27767 1 812 . 1 1 64 64 PHE CD2 C 13 128.830 . . 3 . . . . . 64 PHE CD2 . 27767 1 813 . 1 1 64 64 PHE CE1 C 13 128.000 . . 3 . . . . . 64 PHE CE1 . 27767 1 814 . 1 1 64 64 PHE CE2 C 13 128.000 . . 3 . . . . . 64 PHE CE2 . 27767 1 815 . 1 1 64 64 PHE CZ C 13 128.400 . . 1 . . . . . 64 PHE CZ . 27767 1 816 . 1 1 64 64 PHE N N 15 121.315 . . 1 . . . . . 64 PHE N . 27767 1 817 . 1 1 65 65 THR H H 1 8.439 . . 1 . . . . . 65 THR HN . 27767 1 818 . 1 1 65 65 THR HA H 1 3.770 . . 1 . . . . . 65 THR HA . 27767 1 819 . 1 1 65 65 THR HB H 1 3.430 . . 1 . . . . . 65 THR HB . 27767 1 820 . 1 1 65 65 THR HG21 H 1 1.137 . . 1 . . . . . 65 THR HG21 . 27767 1 821 . 1 1 65 65 THR HG22 H 1 1.137 . . 1 . . . . . 65 THR HG21 . 27767 1 822 . 1 1 65 65 THR HG23 H 1 1.137 . . 1 . . . . . 65 THR HG21 . 27767 1 823 . 1 1 65 65 THR C C 13 175.934 . . 1 . . . . . 65 THR C . 27767 1 824 . 1 1 65 65 THR CA C 13 64.869 . . 1 . . . . . 65 THR CA . 27767 1 825 . 1 1 65 65 THR CB C 13 69.477 . . 1 . . . . . 65 THR CB . 27767 1 826 . 1 1 65 65 THR CG2 C 13 21.435 . . 1 . . . . . 65 THR CG2 . 27767 1 827 . 1 1 65 65 THR N N 15 107.73 . . 1 . . . . . 65 THR N . 27767 1 828 . 1 1 66 66 GLN H H 1 8.095 . . 1 . . . . . 66 GLN HN . 27767 1 829 . 1 1 66 66 GLN HA H 1 3.660 . . 1 . . . . . 66 GLN HA . 27767 1 830 . 1 1 66 66 GLN HB2 H 1 1.970 . . 2 . . . . . 66 GLN HB1 . 27767 1 831 . 1 1 66 66 GLN HB3 H 1 1.962 . . 2 . . . . . 66 GLN HB2 . 27767 1 832 . 1 1 66 66 GLN HG2 H 1 2.200 . . 2 . . . . . 66 GLN HG1 . 27767 1 833 . 1 1 66 66 GLN HG3 H 1 2.200 . . 2 . . . . . 66 GLN HG2 . 27767 1 834 . 1 1 66 66 GLN C C 13 176.993 . . 1 . . . . . 66 GLN C . 27767 1 835 . 1 1 66 66 GLN CA C 13 58.101 . . 1 . . . . . 66 GLN CA . 27767 1 836 . 1 1 66 66 GLN CB C 13 28.183 . . 1 . . . . . 66 GLN CB . 27767 1 837 . 1 1 66 66 GLN CG C 13 30.500 . . 1 . . . . . 66 GLN CG . 27767 1 838 . 1 1 66 66 GLN N N 15 123.05 . . 1 . . . . . 66 GLN N . 27767 1 839 . 1 1 67 67 GLU H H 1 7.422 . . 1 . . . . . 67 GLU HN . 27767 1 840 . 1 1 67 67 GLU HA H 1 3.960 . . 1 . . . . . 67 GLU HA . 27767 1 841 . 1 1 67 67 GLU HB2 H 1 2.251 . . 2 . . . . . 67 GLU HB1 . 27767 1 842 . 1 1 67 67 GLU HB3 H 1 2.241 . . 2 . . . . . 67 GLU HB2 . 27767 1 843 . 1 1 67 67 GLU HG2 H 1 2.499 . . 2 . . . . . 67 GLU HG1 . 27767 1 844 . 1 1 67 67 GLU HG3 H 1 2.493 . . 2 . . . . . 67 GLU HG2 . 27767 1 845 . 1 1 67 67 GLU C C 13 178.638 . . 1 . . . . . 67 GLU C . 27767 1 846 . 1 1 67 67 GLU CA C 13 58.701 . . 1 . . . . . 67 GLU CA . 27767 1 847 . 1 1 67 67 GLU CB C 13 29.468 . . 1 . . . . . 67 GLU CB . 27767 1 848 . 1 1 67 67 GLU CG C 13 33.398 . . 1 . . . . . 67 GLU CG . 27767 1 849 . 1 1 67 67 GLU N N 15 119.661 . . 1 . . . . . 67 GLU N . 27767 1 850 . 1 1 68 68 ILE H H 1 7.253 . . 1 . . . . . 68 ILE HN . 27767 1 851 . 1 1 68 68 ILE HA H 1 3.250 . . 1 . . . . . 68 ILE HA . 27767 1 852 . 1 1 68 68 ILE HB H 1 1.331 . . 1 . . . . . 68 ILE HB . 27767 1 853 . 1 1 68 68 ILE HG12 H 1 0.837 . . 9 . . . . . 68 ILE HG11 . 27767 1 854 . 1 1 68 68 ILE HG13 H 1 -0.703 . . 9 . . . . . 68 ILE HG12 . 27767 1 855 . 1 1 68 68 ILE HG21 H 1 0.291 . . 1 . . . . . 68 ILE HG21 . 27767 1 856 . 1 1 68 68 ILE HG22 H 1 0.291 . . 1 . . . . . 68 ILE HG21 . 27767 1 857 . 1 1 68 68 ILE HG23 H 1 0.291 . . 1 . . . . . 68 ILE HG21 . 27767 1 858 . 1 1 68 68 ILE HD11 H 1 -0.387 . . 1 . . . . . 68 ILE HD11 . 27767 1 859 . 1 1 68 68 ILE HD12 H 1 -0.387 . . 1 . . . . . 68 ILE HD11 . 27767 1 860 . 1 1 68 68 ILE HD13 H 1 -0.387 . . 1 . . . . . 68 ILE HD11 . 27767 1 861 . 1 1 68 68 ILE C C 13 177.053 . . 1 . . . . . 68 ILE C . 27767 1 862 . 1 1 68 68 ILE CA C 13 64.783 . . 1 . . . . . 68 ILE CA . 27767 1 863 . 1 1 68 68 ILE CB C 13 38.293 . . 1 . . . . . 68 ILE CB . 27767 1 864 . 1 1 68 68 ILE CG1 C 13 23.500 . . 1 . . . . . 68 ILE CG1 . 27767 1 865 . 1 1 68 68 ILE CG2 C 13 14.145 . . 1 . . . . . 68 ILE CG2 . 27767 1 866 . 1 1 68 68 ILE CD1 C 13 10.687 . . 1 . . . . . 68 ILE CD1 . 27767 1 867 . 1 1 68 68 ILE N N 15 119.003 . . 1 . . . . . 68 ILE N . 27767 1 868 . 1 1 69 69 ILE H H 1 7.929 . . 1 . . . . . 69 ILE HN . 27767 1 869 . 1 1 69 69 ILE HA H 1 3.240 . . 1 . . . . . 69 ILE HA . 27767 1 870 . 1 1 69 69 ILE HB H 1 1.726 . . 1 . . . . . 69 ILE HB . 27767 1 871 . 1 1 69 69 ILE HG12 H 1 0.569 . . 9 . . . . . 69 ILE HG11 . 27767 1 872 . 1 1 69 69 ILE HG13 H 1 0.569 . . 1 . . . . . 69 ILE HG12 . 27767 1 873 . 1 1 69 69 ILE HG21 H 1 0.760 . . 1 . . . . . 69 ILE HG21 . 27767 1 874 . 1 1 69 69 ILE HG22 H 1 0.760 . . 1 . . . . . 69 ILE HG21 . 27767 1 875 . 1 1 69 69 ILE HG23 H 1 0.760 . . 1 . . . . . 69 ILE HG21 . 27767 1 876 . 1 1 69 69 ILE HD11 H 1 0.559 . . 1 . . . . . 69 ILE HD11 . 27767 1 877 . 1 1 69 69 ILE HD12 H 1 0.559 . . 1 . . . . . 69 ILE HD11 . 27767 1 878 . 1 1 69 69 ILE HD13 H 1 0.559 . . 1 . . . . . 69 ILE HD11 . 27767 1 879 . 1 1 69 69 ILE C C 13 177.893 . . 1 . . . . . 69 ILE C . 27767 1 880 . 1 1 69 69 ILE CA C 13 65.126 . . 1 . . . . . 69 ILE CA . 27767 1 881 . 1 1 69 69 ILE CB C 13 38.293 . . 1 . . . . . 69 ILE CB . 27767 1 882 . 1 1 69 69 ILE CG1 C 13 27.790 . . 1 . . . . . 69 ILE CG1 . 27767 1 883 . 1 1 69 69 ILE CG2 C 13 14.019 . . 1 . . . . . 69 ILE CG2 . 27767 1 884 . 1 1 69 69 ILE CD1 C 13 10.313 . . 1 . . . . . 69 ILE CD1 . 27767 1 885 . 1 1 69 69 ILE N N 15 118.89 . . 1 . . . . . 69 ILE N . 27767 1 886 . 1 1 70 70 GLU H H 1 8.101 . . 1 . . . . . 70 GLU HN . 27767 1 887 . 1 1 70 70 GLU HA H 1 4.010 . . 1 . . . . . 70 GLU HA . 27767 1 888 . 1 1 70 70 GLU HB2 H 1 2.036 . . 2 . . . . . 70 GLU HB1 . 27767 1 889 . 1 1 70 70 GLU HB3 H 1 2.032 . . 2 . . . . . 70 GLU HB2 . 27767 1 890 . 1 1 70 70 GLU HG2 H 1 2.446 . . 2 . . . . . 70 GLU HG1 . 27767 1 891 . 1 1 70 70 GLU HG3 H 1 2.451 . . 2 . . . . . 70 GLU HG2 . 27767 1 892 . 1 1 70 70 GLU C C 13 178.672 . . 1 . . . . . 70 GLU C . 27767 1 893 . 1 1 70 70 GLU CA C 13 58.187 . . 1 . . . . . 70 GLU CA . 27767 1 894 . 1 1 70 70 GLU CB C 13 29.725 . . 1 . . . . . 70 GLU CB . 27767 1 895 . 1 1 70 70 GLU CG C 13 33.959 . . 1 . . . . . 70 GLU CG . 27767 1 896 . 1 1 70 70 GLU N N 15 118.304 . . 1 . . . . . 70 GLU N . 27767 1 897 . 1 1 71 71 GLU H H 1 7.997 . . 1 . . . . . 71 GLU HN . 27767 1 898 . 1 1 71 71 GLU HA H 1 4.076 . . 1 . . . . . 71 GLU HA . 27767 1 899 . 1 1 71 71 GLU HB2 H 1 2.131 . . 2 . . . . . 71 GLU HB1 . 27767 1 900 . 1 1 71 71 GLU HB3 H 1 2.211 . . 2 . . . . . 71 GLU HB2 . 27767 1 901 . 1 1 71 71 GLU HG2 H 1 2.446 . . 2 . . . . . 71 GLU HG1 . 27767 1 902 . 1 1 71 71 GLU HG3 H 1 2.451 . . 2 . . . . . 71 GLU HG2 . 27767 1 903 . 1 1 71 71 GLU C C 13 177.953 . . 1 . . . . . 71 GLU C . 27767 1 904 . 1 1 71 71 GLU CA C 13 58.015 . . 1 . . . . . 71 GLU CA . 27767 1 905 . 1 1 71 71 GLU CB C 13 29.897 . . 1 . . . . . 71 GLU CB . 27767 1 906 . 1 1 71 71 GLU CG C 13 33.959 . . 1 . . . . . 71 GLU CG . 27767 1 907 . 1 1 71 71 GLU N N 15 119.911 . . 1 . . . . . 71 GLU N . 27767 1 908 . 1 1 72 72 LEU H H 1 8.050 . . 1 . . . . . 72 LEU HN . 27767 1 909 . 1 1 72 72 LEU HA H 1 4.259 . . 1 . . . . . 72 LEU HA . 27767 1 910 . 1 1 72 72 LEU HB2 H 1 1.420 . . 2 . . . . . 72 LEU HB1 . 27767 1 911 . 1 1 72 72 LEU HB3 H 1 1.691 . . 2 . . . . . 72 LEU HB2 . 27767 1 912 . 1 1 72 72 LEU HG H 1 0.700 . . 1 . . . . . 72 LEU HG . 27767 1 913 . 1 1 72 72 LEU HD11 H 1 0.811 . . 2 . . . . . 72 LEU HD11 . 27767 1 914 . 1 1 72 72 LEU HD12 H 1 0.811 . . 2 . . . . . 72 LEU HD11 . 27767 1 915 . 1 1 72 72 LEU HD13 H 1 0.811 . . 2 . . . . . 72 LEU HD11 . 27767 1 916 . 1 1 72 72 LEU HD21 H 1 0.805 . . 2 . . . . . 72 LEU HD21 . 27767 1 917 . 1 1 72 72 LEU HD22 H 1 0.805 . . 2 . . . . . 72 LEU HD21 . 27767 1 918 . 1 1 72 72 LEU HD23 H 1 0.805 . . 2 . . . . . 72 LEU HD21 . 27767 1 919 . 1 1 72 72 LEU C C 13 176.857 . . 1 . . . . . 72 LEU C . 27767 1 920 . 1 1 72 72 LEU CA C 13 55.188 . . 1 . . . . . 72 LEU CA . 27767 1 921 . 1 1 72 72 LEU CB C 13 42.748 . . 1 . . . . . 72 LEU CB . 27767 1 922 . 1 1 72 72 LEU CG C 13 23.491 . . 1 . . . . . 72 LEU CG . 27767 1 923 . 1 1 72 72 LEU CD1 C 13 20.687 . . 2 . . . . . 72 LEU CD1 . 27767 1 924 . 1 1 72 72 LEU CD2 C 13 20.658 . . 2 . . . . . 72 LEU CD2 . 27767 1 925 . 1 1 72 72 LEU N N 15 118.238 . . 1 . . . . . 72 LEU N . 27767 1 926 . 1 1 73 73 ASP H H 1 7.999 . . 1 . . . . . 73 ASP HN . 27767 1 927 . 1 1 73 73 ASP HA H 1 4.489 . . 1 . . . . . 73 ASP HA . 27767 1 928 . 1 1 73 73 ASP HB2 H 1 2.446 . . 2 . . . . . 73 ASP HB1 . 27767 1 929 . 1 1 73 73 ASP HB3 H 1 2.900 . . 2 . . . . . 73 ASP HB2 . 27767 1 930 . 1 1 73 73 ASP C C 13 175.273 . . 1 . . . . . 73 ASP C . 27767 1 931 . 1 1 73 73 ASP CA C 13 53.903 . . 1 . . . . . 73 ASP CA . 27767 1 932 . 1 1 73 73 ASP CB C 13 40.606 . . 1 . . . . . 73 ASP CB . 27767 1 933 . 1 1 73 73 ASP N N 15 120.15 . . 1 . . . . . 73 ASP N . 27767 1 934 . 1 1 74 74 ILE H H 1 7.799 . . 1 . . . . . 74 ILE HN . 27767 1 935 . 1 1 74 74 ILE HA H 1 4.219 . . 1 . . . . . 74 ILE HA . 27767 1 936 . 1 1 74 74 ILE HB H 1 1.871 . . 1 . . . . . 74 ILE HB . 27767 1 937 . 1 1 74 74 ILE HG12 H 1 1.082 . . 1 . . . . . 74 ILE HG11 . 27767 1 938 . 1 1 74 74 ILE HG13 H 1 1.395 . . 9 . . . . . 74 ILE HG12 . 27767 1 939 . 1 1 74 74 ILE HG21 H 1 0.827 . . 1 . . . . . 74 ILE HG21 . 27767 1 940 . 1 1 74 74 ILE HG22 H 1 0.827 . . 1 . . . . . 74 ILE HG21 . 27767 1 941 . 1 1 74 74 ILE HG23 H 1 0.827 . . 1 . . . . . 74 ILE HG21 . 27767 1 942 . 1 1 74 74 ILE HD11 H 1 0.827 . . 1 . . . . . 74 ILE HD11 . 27767 1 943 . 1 1 74 74 ILE HD12 H 1 0.827 . . 1 . . . . . 74 ILE HD11 . 27767 1 944 . 1 1 74 74 ILE HD13 H 1 0.827 . . 1 . . . . . 74 ILE HD11 . 27767 1 945 . 1 1 74 74 ILE C C 13 175.87 . . 1 . . . . . 74 ILE C . 27767 1 946 . 1 1 74 74 ILE CA C 13 60.157 . . 1 . . . . . 74 ILE CA . 27767 1 947 . 1 1 74 74 ILE CB C 13 39.064 . . 1 . . . . . 74 ILE CB . 27767 1 948 . 1 1 74 74 ILE CG1 C 13 24.613 . . 1 . . . . . 74 ILE CG1 . 27767 1 949 . 1 1 74 74 ILE CG2 C 13 11.061 . . 1 . . . . . 74 ILE CG2 . 27767 1 950 . 1 1 74 74 ILE CD1 C 13 15.000 . . 1 . . . . . 74 ILE CD1 . 27767 1 951 . 1 1 74 74 ILE N N 15 118.248 . . 1 . . . . . 74 ILE N . 27767 1 952 . 1 1 75 75 SER H H 1 8.350 . . 1 . . . . . 75 SER HN . 27767 1 953 . 1 1 75 75 SER HA H 1 4.722 . . 1 . . . . . 75 SER HA . 27767 1 954 . 1 1 75 75 SER HB2 H 1 3.802 . . 2 . . . . . 75 SER HB1 . 27767 1 955 . 1 1 75 75 SER HB3 H 1 3.800 . . 2 . . . . . 75 SER HB2 . 27767 1 956 . 1 1 75 75 SER C C 13 172.57 . . 1 . . . . . 75 SER C . 27767 1 957 . 1 1 75 75 SER CA C 13 56.216 . . 1 . . . . . 75 SER CA . 27767 1 958 . 1 1 75 75 SER CB C 13 63.07 . . 1 . . . . . 75 SER CB . 27767 1 959 . 1 1 75 75 SER N N 15 121.74 . . 1 . . . . . 75 SER N . 27767 1 960 . 1 1 76 76 PRO HA H 1 4.419 . . 1 . . . . . 76 PRO HA . 27767 1 961 . 1 1 76 76 PRO HB2 H 1 1.943 . . 2 . . . . . 76 PRO HB1 . 27767 1 962 . 1 1 76 76 PRO HB3 H 1 2.180 . . 2 . . . . . 76 PRO HB2 . 27767 1 963 . 1 1 76 76 PRO HG2 H 1 1.988 . . 2 . . . . . 76 PRO HG1 . 27767 1 964 . 1 1 76 76 PRO HG3 H 1 1.994 . . 2 . . . . . 76 PRO HG2 . 27767 1 965 . 1 1 76 76 PRO HD2 H 1 3.710 . . 2 . . . . . 76 PRO HD1 . 27767 1 966 . 1 1 76 76 PRO HD3 H 1 3.745 . . 2 . . . . . 76 PRO HD2 . 27767 1 967 . 1 1 76 76 PRO C C 13 175.509 . . 1 . . . . . 76 PRO C . 27767 1 968 . 1 1 76 76 PRO CA C 13 62.556 . . 1 . . . . . 76 PRO CA . 27767 1 969 . 1 1 76 76 PRO CB C 13 32.296 . . 1 . . . . . 76 PRO CB . 27767 1 970 . 1 1 76 76 PRO CG C 13 24.426 . . 1 . . . . . 76 PRO CG . 27767 1 971 . 1 1 76 76 PRO CD C 13 48.072 . . 1 . . . . . 76 PRO CD . 27767 1 972 . 1 1 77 77 LEU H H 1 7.750 . . 1 . . . . . 77 LEU HN . 27767 1 973 . 1 1 77 77 LEU HA H 1 4.072 . . 1 . . . . . 77 LEU HA . 27767 1 974 . 1 1 77 77 LEU HB2 H 1 1.484 . . 2 . . . . . 77 LEU HB1 . 27767 1 975 . 1 1 77 77 LEU HB3 H 1 1.484 . . 2 . . . . . 77 LEU HB2 . 27767 1 976 . 1 1 77 77 LEU HG H 1 1.400 . . 1 . . . . . 77 LEU HG . 27767 1 977 . 1 1 77 77 LEU HD11 H 1 0.831 . . 2 . . . . . 77 LEU HD11 . 27767 1 978 . 1 1 77 77 LEU HD12 H 1 0.831 . . 2 . . . . . 77 LEU HD11 . 27767 1 979 . 1 1 77 77 LEU HD13 H 1 0.831 . . 2 . . . . . 77 LEU HD11 . 27767 1 980 . 1 1 77 77 LEU HD21 H 1 0.853 . . 2 . . . . . 77 LEU HD21 . 27767 1 981 . 1 1 77 77 LEU HD22 H 1 0.853 . . 2 . . . . . 77 LEU HD21 . 27767 1 982 . 1 1 77 77 LEU HD23 H 1 0.853 . . 2 . . . . . 77 LEU HD21 . 27767 1 983 . 1 1 77 77 LEU C C 13 182.03 . . 1 . . . . . 77 LEU C . 27767 1 984 . 1 1 77 77 LEU CA C 13 56.216 . . 1 . . . . . 77 LEU CA . 27767 1 985 . 1 1 77 77 LEU CB C 13 43.861 . . 1 . . . . . 77 LEU CB . 27767 1 986 . 1 1 77 77 LEU CG C 13 24.800 . . 1 . . . . . 77 LEU CG . 27767 1 987 . 1 1 77 77 LEU CD1 C 13 21.342 . . 2 . . . . . 77 LEU CD1 . 27767 1 988 . 1 1 77 77 LEU CD2 C 13 21.342 . . 2 . . . . . 77 LEU CD2 . 27767 1 989 . 1 1 77 77 LEU N N 15 127.72 . . 1 . . . . . 77 LEU N . 27767 1 stop_ save_