data_16608 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16608 _Entry.Title ; NMR Structure of Proinsulin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-11-13 _Entry.Accession_date 2009-11-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yanwu Yang . . . 16608 2 Qing-hua Hua . . . 16608 3 Robert Mackin . B. . 16608 4 Michael Weiss . A. . 16608 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16608 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 16608 proinsulin . 16608 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16608 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 271 16608 '15N chemical shifts' 83 16608 '1H chemical shifts' 568 16608 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 . . 2010-06-02 2009-11-13 update BMRB 'edit entity/assembly name' 16608 1 . . 2010-03-15 2009-11-13 original author 'original release' 16608 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KQP 'BMRB Entry Tracking System' 16608 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16608 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20106974 _Citation.Full_citation . _Citation.Title 'Solution Structure of Proinsulin: CONNECTING DOMAIN FLEXIBILITY AND PROHORMONE PROCESSING.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 285 _Citation.Journal_issue 11 _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 7847 _Citation.Page_last 7851 _Citation.Year 2010 _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.Entry_ID _Citation_author.Citation_ID 1 Yanwu Yang . . . 16608 1 2 Qing-Xin Hua . . . 16608 1 3 Jin Liu . . . 16608 1 4 Eri Shimizu . H. . 16608 1 5 Meredith Choquette . H. . 16608 1 6 Robert Mackin . B. . 16608 1 7 Michael Weiss . A. . 16608 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Proinsulin 16608 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16608 _Assembly.ID 1 _Assembly.Name Proinsulin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 Proinsulin 1 $entity A . yes native no no . . . 16608 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16608 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Proinsulin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; FVNQHLCGSDLVEALYLVCG ERGFFYTKPTRREAEDLQVG QVELGGGPGAGSLQPLALEG SLQKRGIVEQCCTSICSLYQ LENYCN ; _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 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'H10D, P28K, K29P' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9379.647 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2KQP . "Nmr Structure Of Proinsulin" . . . . . 100.00 86 100.00 100.00 4.97e-54 . . . . 16608 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . PHE . 16608 1 2 . VAL . 16608 1 3 . ASN . 16608 1 4 . GLN . 16608 1 5 . HIS . 16608 1 6 . LEU . 16608 1 7 . CYS . 16608 1 8 . GLY . 16608 1 9 . SER . 16608 1 10 . ASP . 16608 1 11 . LEU . 16608 1 12 . VAL . 16608 1 13 . GLU . 16608 1 14 . ALA . 16608 1 15 . LEU . 16608 1 16 . TYR . 16608 1 17 . LEU . 16608 1 18 . VAL . 16608 1 19 . CYS . 16608 1 20 . GLY . 16608 1 21 . GLU . 16608 1 22 . ARG . 16608 1 23 . GLY . 16608 1 24 . PHE . 16608 1 25 . PHE . 16608 1 26 . TYR . 16608 1 27 . THR . 16608 1 28 . LYS . 16608 1 29 . PRO . 16608 1 30 . THR . 16608 1 31 . ARG . 16608 1 32 . ARG . 16608 1 33 . GLU . 16608 1 34 . ALA . 16608 1 35 . GLU . 16608 1 36 . ASP . 16608 1 37 . LEU . 16608 1 38 . GLN . 16608 1 39 . VAL . 16608 1 40 . GLY . 16608 1 41 . GLN . 16608 1 42 . VAL . 16608 1 43 . GLU . 16608 1 44 . LEU . 16608 1 45 . GLY . 16608 1 46 . GLY . 16608 1 47 . GLY . 16608 1 48 . PRO . 16608 1 49 . GLY . 16608 1 50 . ALA . 16608 1 51 . GLY . 16608 1 52 . SER . 16608 1 53 . LEU . 16608 1 54 . GLN . 16608 1 55 . PRO . 16608 1 56 . LEU . 16608 1 57 . ALA . 16608 1 58 . LEU . 16608 1 59 . GLU . 16608 1 60 . GLY . 16608 1 61 . SER . 16608 1 62 . LEU . 16608 1 63 . GLN . 16608 1 64 . LYS . 16608 1 65 . ARG . 16608 1 66 . GLY . 16608 1 67 . ILE . 16608 1 68 . VAL . 16608 1 69 . GLU . 16608 1 70 . GLN . 16608 1 71 . CYS . 16608 1 72 . CYS . 16608 1 73 . THR . 16608 1 74 . SER . 16608 1 75 . ILE . 16608 1 76 . CYS . 16608 1 77 . SER . 16608 1 78 . LEU . 16608 1 79 . TYR . 16608 1 80 . GLN . 16608 1 81 . LEU . 16608 1 82 . GLU . 16608 1 83 . ASN . 16608 1 84 . TYR . 16608 1 85 . CYS . 16608 1 86 . ASN . 16608 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 . PHE 1 1 16608 1 . VAL 2 2 16608 1 . ASN 3 3 16608 1 . GLN 4 4 16608 1 . HIS 5 5 16608 1 . LEU 6 6 16608 1 . CYS 7 7 16608 1 . GLY 8 8 16608 1 . SER 9 9 16608 1 . ASP 10 10 16608 1 . LEU 11 11 16608 1 . VAL 12 12 16608 1 . GLU 13 13 16608 1 . ALA 14 14 16608 1 . LEU 15 15 16608 1 . TYR 16 16 16608 1 . LEU 17 17 16608 1 . VAL 18 18 16608 1 . CYS 19 19 16608 1 . GLY 20 20 16608 1 . GLU 21 21 16608 1 . ARG 22 22 16608 1 . GLY 23 23 16608 1 . PHE 24 24 16608 1 . PHE 25 25 16608 1 . TYR 26 26 16608 1 . THR 27 27 16608 1 . LYS 28 28 16608 1 . PRO 29 29 16608 1 . THR 30 30 16608 1 . ARG 31 31 16608 1 . ARG 32 32 16608 1 . GLU 33 33 16608 1 . ALA 34 34 16608 1 . GLU 35 35 16608 1 . ASP 36 36 16608 1 . LEU 37 37 16608 1 . GLN 38 38 16608 1 . VAL 39 39 16608 1 . GLY 40 40 16608 1 . GLN 41 41 16608 1 . VAL 42 42 16608 1 . GLU 43 43 16608 1 . LEU 44 44 16608 1 . GLY 45 45 16608 1 . GLY 46 46 16608 1 . GLY 47 47 16608 1 . PRO 48 48 16608 1 . GLY 49 49 16608 1 . ALA 50 50 16608 1 . GLY 51 51 16608 1 . SER 52 52 16608 1 . LEU 53 53 16608 1 . GLN 54 54 16608 1 . PRO 55 55 16608 1 . LEU 56 56 16608 1 . ALA 57 57 16608 1 . LEU 58 58 16608 1 . GLU 59 59 16608 1 . GLY 60 60 16608 1 . SER 61 61 16608 1 . LEU 62 62 16608 1 . GLN 63 63 16608 1 . LYS 64 64 16608 1 . ARG 65 65 16608 1 . GLY 66 66 16608 1 . ILE 67 67 16608 1 . VAL 68 68 16608 1 . GLU 69 69 16608 1 . GLN 70 70 16608 1 . CYS 71 71 16608 1 . CYS 72 72 16608 1 . THR 73 73 16608 1 . SER 74 74 16608 1 . ILE 75 75 16608 1 . CYS 76 76 16608 1 . SER 77 77 16608 1 . LEU 78 78 16608 1 . TYR 79 79 16608 1 . GLN 80 80 16608 1 . LEU 81 81 16608 1 . GLU 82 82 16608 1 . ASN 83 83 16608 1 . TYR 84 84 16608 1 . CYS 85 85 16608 1 . ASN 86 86 16608 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 16608 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16608 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 16608 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-9b . . . . . . 16608 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16608 _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 proinsulin '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.3 . . mM . . . . 16608 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16608 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16608 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 16608 _Sample_condition_list.ID 1 _Sample_condition_list.Details '50 mM sodium phosphate, PH 7.1 and 50 mM NaCl' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.1 . pH 16608 1 pressure 1 . atm 16608 1 temperature 298 . K 16608 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16608 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16608 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16608 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 16608 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 16608 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16608 2 'peak picking' 16608 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16608 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16608 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16608 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16608 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16608 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16608 4 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 16608 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model MSL _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 16608 _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 MSL . 700 . . . 16608 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 16608 _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 . . . . . . . . . . . . . . . . 16608 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16608 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16608 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16608 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16608 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16608 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16608 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16608 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16608 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16608 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 16608 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 . indirect 0.251449530 . . . . . . . . . 16608 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 16608 1 N 15 DSS 'methyl protons' . . . . ppm 0 . indirect 0.101329118 . . . . . . . . . 16608 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 16608 _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' . . . 16608 1 2 '2D 1H-13C HSQC' . . . 16608 1 3 '3D CBCA(CO)NH' . . . 16608 1 4 '3D HNCACB' . . . 16608 1 5 '3D C(CO)NH' . . . 16608 1 6 '3D H(CCO)NH' . . . 16608 1 7 '3D 1H-15N NOESY' . . . 16608 1 8 '3D 1H-13C NOESY' . . . 16608 1 9 '3D HNCO' . . . 16608 1 10 '3D HCCH-TOCSY' . . . 16608 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 16608 1 2 $PIPP . . 16608 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PHE HA H 1 3.7300 . . 1 . . . . 1 PHE HA . 16608 1 2 . 1 1 1 1 PHE HB2 H 1 2.9700 . . . . . . . 1 PHE HB1 . 16608 1 3 . 1 1 1 1 PHE HB3 H 1 2.8600 . . 2 . . . . 1 PHE HB2 . 16608 1 4 . 1 1 1 1 PHE HD1 H 1 7.0500 . . 3 . . . . 1 PHE HD1 . 16608 1 5 . 1 1 1 1 PHE HD2 H 1 7.0500 . . 3 . . . . 1 PHE HD2 . 16608 1 6 . 1 1 1 1 PHE HE1 H 1 7.1300 . . 3 . . . . 1 PHE HE1 . 16608 1 7 . 1 1 1 1 PHE HE2 H 1 7.1300 . . 3 . . . . 1 PHE HE2 . 16608 1 8 . 1 1 1 1 PHE HZ H 1 7.0800 . . 1 . . . . 1 PHE HZ . 16608 1 9 . 1 1 1 1 PHE CA C 13 58.3600 . . 1 . . . . 1 PHE CA . 16608 1 10 . 1 1 1 1 PHE CB C 13 42.4100 . . 1 . . . . 1 PHE CB . 16608 1 11 . 1 1 1 1 PHE CD1 C 13 132.9000 . . 3 . . . . 1 PHE CD1 . 16608 1 12 . 1 1 1 1 PHE CD2 C 13 132.9000 . . 3 . . . . 1 PHE CD2 . 16608 1 13 . 1 1 1 1 PHE CE1 C 13 129.5000 . . 3 . . . . 1 PHE CE1 . 16608 1 14 . 1 1 1 1 PHE CE2 C 13 129.5000 . . 3 . . . . 1 PHE CE2 . 16608 1 15 . 1 1 2 2 VAL HA H 1 3.9600 . . 1 . . . . 2 VAL HA . 16608 1 16 . 1 1 2 2 VAL HB H 1 1.840 . . 1 . . . . 2 VAL HB . 16608 1 17 . 1 1 2 2 VAL HG11 H 1 0.7500 . . . . . . . 2 VAL HG1# . 16608 1 18 . 1 1 2 2 VAL HG12 H 1 0.7500 . . . . . . . 2 VAL HG1# . 16608 1 19 . 1 1 2 2 VAL HG13 H 1 0.7500 . . . . . . . 2 VAL HG1# . 16608 1 20 . 1 1 2 2 VAL HG21 H 1 0.7480 . . . . . . . 2 VAL HG2# . 16608 1 21 . 1 1 2 2 VAL HG22 H 1 0.7480 . . . . . . . 2 VAL HG2# . 16608 1 22 . 1 1 2 2 VAL HG23 H 1 0.7480 . . . . . . . 2 VAL HG2# . 16608 1 23 . 1 1 2 2 VAL CA C 13 62.00 . . 1 . . . . 2 VAL CA . 16608 1 24 . 1 1 2 2 VAL CB C 13 32.8100 . . 1 . . . . 2 VAL CB . 16608 1 25 . 1 1 2 2 VAL CG1 C 13 21.0900 . . 2 . . . . 2 VAL CG1 . 16608 1 26 . 1 1 2 2 VAL CG2 C 13 20.5800 . . 2 . . . . 2 VAL CG2 . 16608 1 27 . 1 1 3 3 ASN H H 1 8.5250 . . 1 . . . . 3 ASN HN . 16608 1 28 . 1 1 3 3 ASN HA H 1 4.4900 . . 1 . . . . 3 ASN HA . 16608 1 29 . 1 1 3 3 ASN HB2 H 1 2.6500 . . . . . . . 3 ASN HB1 . 16608 1 30 . 1 1 3 3 ASN HB3 H 1 2.740 . . 2 . . . . 3 ASN HB2 . 16608 1 31 . 1 1 3 3 ASN HD21 H 1 7.7400 . . 2 . . . . 3 ASN HD21 . 16608 1 32 . 1 1 3 3 ASN HD22 H 1 7.1900 . . 2 . . . . 3 ASN HD22 . 16608 1 33 . 1 1 3 3 ASN CA C 13 53.700 . . 1 . . . . 3 ASN CA . 16608 1 34 . 1 1 3 3 ASN CB C 13 38.2200 . . 1 . . . . 3 ASN CB . 16608 1 35 . 1 1 3 3 ASN N N 15 122.5100 . . 1 . . . . 3 ASN N . 16608 1 36 . 1 1 3 3 ASN ND2 N 15 112.9600 . . 1 . . . . 3 ASN ND2 . 16608 1 37 . 1 1 4 4 GLN H H 1 8.1700 . . 1 . . . . 4 GLN HN . 16608 1 38 . 1 1 4 4 GLN HA H 1 4.4300 . . 1 . . . . 4 GLN HA . 16608 1 39 . 1 1 4 4 GLN HB2 H 1 2.020 . . . . . . . 4 GLN HB1 . 16608 1 40 . 1 1 4 4 GLN HB3 H 1 1.870 . . 2 . . . . 4 GLN HB2 . 16608 1 41 . 1 1 4 4 GLN HE21 H 1 7.4500 . . 2 . . . . 4 GLN HE21 . 16608 1 42 . 1 1 4 4 GLN HE22 H 1 6.8500 . . 2 . . . . 4 GLN HE22 . 16608 1 43 . 1 1 4 4 GLN HG2 H 1 2.0760 . . . . . . . 4 GLN HG1 . 16608 1 44 . 1 1 4 4 GLN HG3 H 1 2.1200 . . 2 . . . . 4 GLN HG2 . 16608 1 45 . 1 1 4 4 GLN CA C 13 54.6100 . . 1 . . . . 4 GLN CA . 16608 1 46 . 1 1 4 4 GLN CB C 13 31.3700 . . 1 . . . . 4 GLN CB . 16608 1 47 . 1 1 4 4 GLN CG C 13 32.9300 . . 1 . . . . 4 GLN CG . 16608 1 48 . 1 1 4 4 GLN N N 15 118.1300 . . 1 . . . . 4 GLN N . 16608 1 49 . 1 1 4 4 GLN NE2 N 15 110.9100 . . 1 . . . . 4 GLN NE2 . 16608 1 50 . 1 1 5 5 HIS H H 1 8.5100 . . 1 . . . . 5 HIS HN . 16608 1 51 . 1 1 5 5 HIS HA H 1 4.2700 . . 1 . . . . 5 HIS HA . 16608 1 52 . 1 1 5 5 HIS HB2 H 1 2.9600 . . . . . . . 5 HIS HB1 . 16608 1 53 . 1 1 5 5 HIS HB3 H 1 3.3600 . . 2 . . . . 5 HIS HB2 . 16608 1 54 . 1 1 5 5 HIS HD2 H 1 6.8500 . . 1 . . . . 5 HIS HD2 . 16608 1 55 . 1 1 5 5 HIS CA C 13 57.740 . . 1 . . . . 5 HIS CA . 16608 1 56 . 1 1 5 5 HIS CB C 13 29.2500 . . 1 . . . . 5 HIS CB . 16608 1 57 . 1 1 5 5 HIS N N 15 120.3800 . . 1 . . . . 5 HIS N . 16608 1 58 . 1 1 6 6 LEU H H 1 8.9700 . . 1 . . . . 6 LEU HN . 16608 1 59 . 1 1 6 6 LEU HA H 1 4.540 . . 1 . . . . 6 LEU HA . 16608 1 60 . 1 1 6 6 LEU HB2 H 1 1.6800 . . . . . . . 6 LEU HB1 . 16608 1 61 . 1 1 6 6 LEU HB3 H 1 0.6800 . . 2 . . . . 6 LEU HB2 . 16608 1 62 . 1 1 6 6 LEU HD11 H 1 0.78400 . . . . . . . 6 LEU HD1# . 16608 1 63 . 1 1 6 6 LEU HD12 H 1 0.78400 . . . . . . . 6 LEU HD1# . 16608 1 64 . 1 1 6 6 LEU HD13 H 1 0.78400 . . . . . . . 6 LEU HD1# . 16608 1 65 . 1 1 6 6 LEU HD21 H 1 0.6800 . . . . . . . 6 LEU HD2# . 16608 1 66 . 1 1 6 6 LEU HD22 H 1 0.6800 . . . . . . . 6 LEU HD2# . 16608 1 67 . 1 1 6 6 LEU HD23 H 1 0.6800 . . . . . . . 6 LEU HD2# . 16608 1 68 . 1 1 6 6 LEU HG H 1 1.6000 . . 1 . . . . 6 LEU HG . 16608 1 69 . 1 1 6 6 LEU CA C 13 53.6700 . . 1 . . . . 6 LEU CA . 16608 1 70 . 1 1 6 6 LEU CB C 13 44.900 . . 1 . . . . 6 LEU CB . 16608 1 71 . 1 1 6 6 LEU CD1 C 13 26.5600 . . 2 . . . . 6 LEU CD1 . 16608 1 72 . 1 1 6 6 LEU CD2 C 13 23.8400 . . 2 . . . . 6 LEU CD2 . 16608 1 73 . 1 1 6 6 LEU CG C 13 25.3400 . . 1 . . . . 6 LEU CG . 16608 1 74 . 1 1 6 6 LEU N N 15 127.0200 . . 1 . . . . 6 LEU N . 16608 1 75 . 1 1 7 7 CYS H H 1 8.8800 . . 1 . . . . 7 CYS HN . 16608 1 76 . 1 1 7 7 CYS HB2 H 1 3.6100 . . . . . . . 7 CYS HB# . 16608 1 77 . 1 1 7 7 CYS HB3 H 1 3.6100 . . . . . . . 7 CYS HB# . 16608 1 78 . 1 1 7 7 CYS CA C 13 53.9400 . . 1 . . . . 7 CYS CA . 16608 1 79 . 1 1 7 7 CYS N N 15 120.9800 . . 1 . . . . 7 CYS N . 16608 1 80 . 1 1 8 8 GLY H H 1 9.3300 . . 1 . . . . 8 GLY HN . 16608 1 81 . 1 1 8 8 GLY HA2 H 1 2.9200 . . . . . . . 8 GLY HA1 . 16608 1 82 . 1 1 8 8 GLY HA3 H 1 3.1700 . . 2 . . . . 8 GLY HA2 . 16608 1 83 . 1 1 8 8 GLY CA C 13 47.50 . . 1 . . . . 8 GLY CA . 16608 1 84 . 1 1 8 8 GLY N N 15 112.3300 . . 1 . . . . 8 GLY N . 16608 1 85 . 1 1 9 9 SER HA H 1 4.0500 . . 1 . . . . 9 SER HA . 16608 1 86 . 1 1 9 9 SER HB2 H 1 4.0000 . . . . . . . 9 SER HB# . 16608 1 87 . 1 1 9 9 SER HB3 H 1 4.0000 . . . . . . . 9 SER HB# . 16608 1 88 . 1 1 9 9 SER CA C 13 61.6700 . . 1 . . . . 9 SER CA . 16608 1 89 . 1 1 9 9 SER CB C 13 62.5700 . . 1 . . . . 9 SER CB . 16608 1 90 . 1 1 10 10 ASP H H 1 7.9500 . . 1 . . . . 10 ASP HN . 16608 1 91 . 1 1 10 10 ASP HA H 1 4.3300 . . 1 . . . . 10 ASP HA . 16608 1 92 . 1 1 10 10 ASP HB2 H 1 2.9400 . . . . . . . 10 ASP HB1 . 16608 1 93 . 1 1 10 10 ASP HB3 H 1 2.5800 . . 2 . . . . 10 ASP HB2 . 16608 1 94 . 1 1 10 10 ASP CA C 13 57.400 . . 1 . . . . 10 ASP CA . 16608 1 95 . 1 1 10 10 ASP CB C 13 39.9400 . . 1 . . . . 10 ASP CB . 16608 1 96 . 1 1 10 10 ASP N N 15 120.900 . . 1 . . . . 10 ASP N . 16608 1 97 . 1 1 11 11 LEU H H 1 6.9000 . . 1 . . . . 11 LEU HN . 16608 1 98 . 1 1 11 11 LEU HA H 1 3.8500 . . 1 . . . . 11 LEU HA . 16608 1 99 . 1 1 11 11 LEU HB2 H 1 1.7600 . . . . . . . 11 LEU HB1 . 16608 1 100 . 1 1 11 11 LEU HB3 H 1 1.100 . . 2 . . . . 11 LEU HB2 . 16608 1 101 . 1 1 11 11 LEU HD11 H 1 0.5900 . . . . . . . 11 LEU HD1# . 16608 1 102 . 1 1 11 11 LEU HD12 H 1 0.5900 . . . . . . . 11 LEU HD1# . 16608 1 103 . 1 1 11 11 LEU HD13 H 1 0.5900 . . . . . . . 11 LEU HD1# . 16608 1 104 . 1 1 11 11 LEU HD21 H 1 0.660 . . . . . . . 11 LEU HD2# . 16608 1 105 . 1 1 11 11 LEU HD22 H 1 0.660 . . . . . . . 11 LEU HD2# . 16608 1 106 . 1 1 11 11 LEU HD23 H 1 0.660 . . . . . . . 11 LEU HD2# . 16608 1 107 . 1 1 11 11 LEU HG H 1 1.1500 . . 1 . . . . 11 LEU HG . 16608 1 108 . 1 1 11 11 LEU CA C 13 57.500 . . 1 . . . . 11 LEU CA . 16608 1 109 . 1 1 11 11 LEU CB C 13 40.3600 . . 1 . . . . 11 LEU CB . 16608 1 110 . 1 1 11 11 LEU CD1 C 13 22.8800 . . 2 . . . . 11 LEU CD1 . 16608 1 111 . 1 1 11 11 LEU CD2 C 13 25.4000 . . 2 . . . . 11 LEU CD2 . 16608 1 112 . 1 1 11 11 LEU CG C 13 27.0400 . . 1 . . . . 11 LEU CG . 16608 1 113 . 1 1 11 11 LEU N N 15 120.9100 . . 1 . . . . 11 LEU N . 16608 1 114 . 1 1 12 12 VAL H H 1 6.9100 . . 1 . . . . 12 VAL HN . 16608 1 115 . 1 1 12 12 VAL HA H 1 3.110 . . 1 . . . . 12 VAL HA . 16608 1 116 . 1 1 12 12 VAL HB H 1 2.0300 . . 1 . . . . 12 VAL HB . 16608 1 117 . 1 1 12 12 VAL HG11 H 1 0.9150 . . . . . . . 12 VAL HG1# . 16608 1 118 . 1 1 12 12 VAL HG12 H 1 0.9150 . . . . . . . 12 VAL HG1# . 16608 1 119 . 1 1 12 12 VAL HG13 H 1 0.9150 . . . . . . . 12 VAL HG1# . 16608 1 120 . 1 1 12 12 VAL HG21 H 1 0.9230 . . . . . . . 12 VAL HG2# . 16608 1 121 . 1 1 12 12 VAL HG22 H 1 0.9230 . . . . . . . 12 VAL HG2# . 16608 1 122 . 1 1 12 12 VAL HG23 H 1 0.9230 . . . . . . . 12 VAL HG2# . 16608 1 123 . 1 1 12 12 VAL CA C 13 66.7500 . . 1 . . . . 12 VAL CA . 16608 1 124 . 1 1 12 12 VAL CB C 13 31.6400 . . 1 . . . . 12 VAL CB . 16608 1 125 . 1 1 12 12 VAL CG1 C 13 22.1800 . . 2 . . . . 12 VAL CG1 . 16608 1 126 . 1 1 12 12 VAL CG2 C 13 21.7400 . . 2 . . . . 12 VAL CG2 . 16608 1 127 . 1 1 12 12 VAL N N 15 117.5100 . . 1 . . . . 12 VAL N . 16608 1 128 . 1 1 13 13 GLU H H 1 7.9200 . . 1 . . . . 13 GLU HN . 16608 1 129 . 1 1 13 13 GLU HA H 1 4.010 . . 1 . . . . 13 GLU HA . 16608 1 130 . 1 1 13 13 GLU HB2 H 1 2.0100 . . . . . . . 13 GLU HB# . 16608 1 131 . 1 1 13 13 GLU HB3 H 1 2.0100 . . . . . . . 13 GLU HB# . 16608 1 132 . 1 1 13 13 GLU HG2 H 1 2.2400 . . . . . . . 13 GLU HG1 . 16608 1 133 . 1 1 13 13 GLU HG3 H 1 2.3900 . . 2 . . . . 13 GLU HG2 . 16608 1 134 . 1 1 13 13 GLU CA C 13 59.400 . . 1 . . . . 13 GLU CA . 16608 1 135 . 1 1 13 13 GLU CB C 13 29.500 . . 1 . . . . 13 GLU CB . 16608 1 136 . 1 1 13 13 GLU CG C 13 36.7500 . . 1 . . . . 13 GLU CG . 16608 1 137 . 1 1 13 13 GLU N N 15 116.8700 . . 1 . . . . 13 GLU N . 16608 1 138 . 1 1 14 14 ALA H H 1 7.5400 . . 1 . . . . 14 ALA HN . 16608 1 139 . 1 1 14 14 ALA HA H 1 4.0100 . . 1 . . . . 14 ALA HA . 16608 1 140 . 1 1 14 14 ALA HB1 H 1 1.290 . . . . . . . 14 ALA HB# . 16608 1 141 . 1 1 14 14 ALA HB2 H 1 1.290 . . . . . . . 14 ALA HB# . 16608 1 142 . 1 1 14 14 ALA HB3 H 1 1.290 . . . . . . . 14 ALA HB# . 16608 1 143 . 1 1 14 14 ALA CA C 13 55.300 . . 1 . . . . 14 ALA CA . 16608 1 144 . 1 1 14 14 ALA CB C 13 19.1200 . . 1 . . . . 14 ALA CB . 16608 1 145 . 1 1 14 14 ALA N N 15 121.4500 . . 1 . . . . 14 ALA N . 16608 1 146 . 1 1 15 15 LEU H H 1 7.9700 . . 1 . . . . 15 LEU HN . 16608 1 147 . 1 1 15 15 LEU HA H 1 3.660 . . 1 . . . . 15 LEU HA . 16608 1 148 . 1 1 15 15 LEU HB2 H 1 0.920 . . . . . . . 15 LEU HB1 . 16608 1 149 . 1 1 15 15 LEU HB3 H 1 0.1180 . . 2 . . . . 15 LEU HB2 . 16608 1 150 . 1 1 15 15 LEU HD11 H 1 0.4700 . . . . . . . 15 LEU HD1# . 16608 1 151 . 1 1 15 15 LEU HD12 H 1 0.4700 . . . . . . . 15 LEU HD1# . 16608 1 152 . 1 1 15 15 LEU HD13 H 1 0.4700 . . . . . . . 15 LEU HD1# . 16608 1 153 . 1 1 15 15 LEU HD21 H 1 0.130 . . . . . . . 15 LEU HD2# . 16608 1 154 . 1 1 15 15 LEU HD22 H 1 0.130 . . . . . . . 15 LEU HD2# . 16608 1 155 . 1 1 15 15 LEU HD23 H 1 0.130 . . . . . . . 15 LEU HD2# . 16608 1 156 . 1 1 15 15 LEU HG H 1 1.240 . . 1 . . . . 15 LEU HG . 16608 1 157 . 1 1 15 15 LEU CA C 13 57.630 . . 1 . . . . 15 LEU CA . 16608 1 158 . 1 1 15 15 LEU CB C 13 40.2100 . . 1 . . . . 15 LEU CB . 16608 1 159 . 1 1 15 15 LEU CD1 C 13 23.900 . . 2 . . . . 15 LEU CD1 . 16608 1 160 . 1 1 15 15 LEU CD2 C 13 25.800 . . 2 . . . . 15 LEU CD2 . 16608 1 161 . 1 1 15 15 LEU CG C 13 26.5600 . . 1 . . . . 15 LEU CG . 16608 1 162 . 1 1 15 15 LEU N N 15 118.3900 . . 1 . . . . 15 LEU N . 16608 1 163 . 1 1 16 16 TYR H H 1 8.1100 . . 1 . . . . 16 TYR HN . 16608 1 164 . 1 1 16 16 TYR HA H 1 4.3100 . . 1 . . . . 16 TYR HA . 16608 1 165 . 1 1 16 16 TYR HB2 H 1 3.0800 . . . . . . . 16 TYR HB# . 16608 1 166 . 1 1 16 16 TYR HB3 H 1 3.0800 . . . . . . . 16 TYR HB# . 16608 1 167 . 1 1 16 16 TYR HD1 H 1 7.200 . . 3 . . . . 16 TYR HD1 . 16608 1 168 . 1 1 16 16 TYR HD2 H 1 7.200 . . 3 . . . . 16 TYR HD2 . 16608 1 169 . 1 1 16 16 TYR HE1 H 1 6.7800 . . 3 . . . . 16 TYR HE1 . 16608 1 170 . 1 1 16 16 TYR HE2 H 1 6.7800 . . 3 . . . . 16 TYR HE2 . 16608 1 171 . 1 1 16 16 TYR CA C 13 61.780 . . 1 . . . . 16 TYR CA . 16608 1 172 . 1 1 16 16 TYR CB C 13 38.0600 . . 1 . . . . 16 TYR CB . 16608 1 173 . 1 1 16 16 TYR CD1 C 13 133.2100 . . 3 . . . . 16 TYR CD1 . 16608 1 174 . 1 1 16 16 TYR CD2 C 13 133.2100 . . 3 . . . . 16 TYR CD2 . 16608 1 175 . 1 1 16 16 TYR CE1 C 13 118.5000 . . 3 . . . . 16 TYR CE1 . 16608 1 176 . 1 1 16 16 TYR CE2 C 13 118.5000 . . 3 . . . . 16 TYR CE2 . 16608 1 177 . 1 1 16 16 TYR N N 15 119.4400 . . 1 . . . . 16 TYR N . 16608 1 178 . 1 1 17 17 LEU H H 1 7.5200 . . 1 . . . . 17 LEU HN . 16608 1 179 . 1 1 17 17 LEU HA H 1 4.0500 . . 1 . . . . 17 LEU HA . 16608 1 180 . 1 1 17 17 LEU HB2 H 1 1.8700 . . . . . . . 17 LEU HB1 . 16608 1 181 . 1 1 17 17 LEU HB3 H 1 1.700 . . 2 . . . . 17 LEU HB2 . 16608 1 182 . 1 1 17 17 LEU HD11 H 1 0.9100 . . . . . . . 17 LEU HD1# . 16608 1 183 . 1 1 17 17 LEU HD12 H 1 0.9100 . . . . . . . 17 LEU HD1# . 16608 1 184 . 1 1 17 17 LEU HD13 H 1 0.9100 . . . . . . . 17 LEU HD1# . 16608 1 185 . 1 1 17 17 LEU HD21 H 1 0.8600 . . . . . . . 17 LEU HD2# . 16608 1 186 . 1 1 17 17 LEU HD22 H 1 0.8600 . . . . . . . 17 LEU HD2# . 16608 1 187 . 1 1 17 17 LEU HD23 H 1 0.8600 . . . . . . . 17 LEU HD2# . 16608 1 188 . 1 1 17 17 LEU HG H 1 1.7100 . . 1 . . . . 17 LEU HG . 16608 1 189 . 1 1 17 17 LEU CA C 13 57.9500 . . 1 . . . . 17 LEU CA . 16608 1 190 . 1 1 17 17 LEU CB C 13 42.1600 . . 1 . . . . 17 LEU CB . 16608 1 191 . 1 1 17 17 LEU CD1 C 13 24.6500 . . 2 . . . . 17 LEU CD1 . 16608 1 192 . 1 1 17 17 LEU CD2 C 13 23.6600 . . 2 . . . . 17 LEU CD2 . 16608 1 193 . 1 1 17 17 LEU CG C 13 26.9700 . . 1 . . . . 17 LEU CG . 16608 1 194 . 1 1 17 17 LEU N N 15 119.7200 . . 1 . . . . 17 LEU N . 16608 1 195 . 1 1 18 18 VAL H H 1 8.360 . . 1 . . . . 18 VAL HN . 16608 1 196 . 1 1 18 18 VAL HA H 1 3.6700 . . 1 . . . . 18 VAL HA . 16608 1 197 . 1 1 18 18 VAL HB H 1 1.8900 . . 1 . . . . 18 VAL HB . 16608 1 198 . 1 1 18 18 VAL HG11 H 1 0.8400 . . . . . . . 18 VAL HG1# . 16608 1 199 . 1 1 18 18 VAL HG12 H 1 0.8400 . . . . . . . 18 VAL HG1# . 16608 1 200 . 1 1 18 18 VAL HG13 H 1 0.8400 . . . . . . . 18 VAL HG1# . 16608 1 201 . 1 1 18 18 VAL HG21 H 1 0.7700 . . . . . . . 18 VAL HG2# . 16608 1 202 . 1 1 18 18 VAL HG22 H 1 0.7700 . . . . . . . 18 VAL HG2# . 16608 1 203 . 1 1 18 18 VAL HG23 H 1 0.7700 . . . . . . . 18 VAL HG2# . 16608 1 204 . 1 1 18 18 VAL CA C 13 65.5200 . . 1 . . . . 18 VAL CA . 16608 1 205 . 1 1 18 18 VAL CB C 13 32.800 . . 1 . . . . 18 VAL CB . 16608 1 206 . 1 1 18 18 VAL CG1 C 13 21.9500 . . 2 . . . . 18 VAL CG1 . 16608 1 207 . 1 1 18 18 VAL CG2 C 13 21.2300 . . 2 . . . . 18 VAL CG2 . 16608 1 208 . 1 1 18 18 VAL N N 15 118.1600 . . 1 . . . . 18 VAL N . 16608 1 209 . 1 1 19 19 CYS H H 1 8.7300 . . 1 . . . . 19 CYS HN . 16608 1 210 . 1 1 19 19 CYS HA H 1 4.7550 . . 1 . . . . 19 CYS HA . 16608 1 211 . 1 1 19 19 CYS HB2 H 1 3.2100 . . . . . . . 19 CYS HB1 . 16608 1 212 . 1 1 19 19 CYS HB3 H 1 2.8300 . . 2 . . . . 19 CYS HB2 . 16608 1 213 . 1 1 19 19 CYS CA C 13 54.2200 . . 1 . . . . 19 CYS CA . 16608 1 214 . 1 1 19 19 CYS CB C 13 36.400 . . 1 . . . . 19 CYS CB . 16608 1 215 . 1 1 19 19 CYS N N 15 115.4600 . . 1 . . . . 19 CYS N . 16608 1 216 . 1 1 20 20 GLY H H 1 7.700 . . 1 . . . . 20 GLY HN . 16608 1 217 . 1 1 20 20 GLY HA2 H 1 3.9300 . . . . . . . 20 GLY HA1 . 16608 1 218 . 1 1 20 20 GLY HA3 H 1 3.8100 . . 2 . . . . 20 GLY HA2 . 16608 1 219 . 1 1 20 20 GLY CA C 13 46.7400 . . 1 . . . . 20 GLY CA . 16608 1 220 . 1 1 20 20 GLY N N 15 108.8200 . . 1 . . . . 20 GLY N . 16608 1 221 . 1 1 21 21 GLU H H 1 9.0200 . . 1 . . . . 21 GLU HN . 16608 1 222 . 1 1 21 21 GLU HA H 1 4.1300 . . 1 . . . . 21 GLU HA . 16608 1 223 . 1 1 21 21 GLU HB2 H 1 2.0500 . . . . . . . 21 GLU HB# . 16608 1 224 . 1 1 21 21 GLU HB3 H 1 2.0500 . . . . . . . 21 GLU HB# . 16608 1 225 . 1 1 21 21 GLU HG2 H 1 2.3200 . . . . . . . 21 GLU HG# . 16608 1 226 . 1 1 21 21 GLU HG3 H 1 2.3200 . . . . . . . 21 GLU HG# . 16608 1 227 . 1 1 21 21 GLU CA C 13 57.8400 . . 1 . . . . 21 GLU CA . 16608 1 228 . 1 1 21 21 GLU CB C 13 29.300 . . 1 . . . . 21 GLU CB . 16608 1 229 . 1 1 21 21 GLU CG C 13 36.500 . . 1 . . . . 21 GLU CG . 16608 1 230 . 1 1 21 21 GLU N N 15 124.5600 . . 1 . . . . 21 GLU N . 16608 1 231 . 1 1 22 22 ARG H H 1 8.0700 . . 1 . . . . 22 ARG HN . 16608 1 232 . 1 1 22 22 ARG HA H 1 4.1060 . . 1 . . . . 22 ARG HA . 16608 1 233 . 1 1 22 22 ARG HB2 H 1 2.0860 . . . . . . . 22 ARG HB1 . 16608 1 234 . 1 1 22 22 ARG HB3 H 1 1.9800 . . 2 . . . . 22 ARG HB2 . 16608 1 235 . 1 1 22 22 ARG HD2 H 1 3.300 . . . . . . . 22 ARG HD1 . 16608 1 236 . 1 1 22 22 ARG HD3 H 1 3.2400 . . 2 . . . . 22 ARG HD2 . 16608 1 237 . 1 1 22 22 ARG HG2 H 1 1.7800 . . . . . . . 22 ARG HG# . 16608 1 238 . 1 1 22 22 ARG HG3 H 1 1.7800 . . . . . . . 22 ARG HG# . 16608 1 239 . 1 1 22 22 ARG CA C 13 58.0300 . . 1 . . . . 22 ARG CA . 16608 1 240 . 1 1 22 22 ARG CB C 13 31.1300 . . 1 . . . . 22 ARG CB . 16608 1 241 . 1 1 22 22 ARG CD C 13 44.0600 . . 1 . . . . 22 ARG CD . 16608 1 242 . 1 1 22 22 ARG CG C 13 27.000 . . 1 . . . . 22 ARG CG . 16608 1 243 . 1 1 22 22 ARG N N 15 118.100 . . 1 . . . . 22 ARG N . 16608 1 244 . 1 1 23 23 GLY H H 1 7.3300 . . 1 . . . . 23 GLY HN . 16608 1 245 . 1 1 23 23 GLY HA2 H 1 4.0600 . . . . . . . 23 GLY HA1 . 16608 1 246 . 1 1 23 23 GLY HA3 H 1 3.7300 . . 2 . . . . 23 GLY HA2 . 16608 1 247 . 1 1 23 23 GLY CA C 13 44.900 . . 1 . . . . 23 GLY CA . 16608 1 248 . 1 1 23 23 GLY N N 15 103.4600 . . 1 . . . . 23 GLY N . 16608 1 249 . 1 1 24 24 PHE H H 1 7.5900 . . 1 . . . . 24 PHE HN . 16608 1 250 . 1 1 24 24 PHE HA H 1 4.9700 . . 1 . . . . 24 PHE HA . 16608 1 251 . 1 1 24 24 PHE HB2 H 1 3.1800 . . . . . . . 24 PHE HB1 . 16608 1 252 . 1 1 24 24 PHE HB3 H 1 2.8300 . . 2 . . . . 24 PHE HB2 . 16608 1 253 . 1 1 24 24 PHE HD1 H 1 6.6500 . . 3 . . . . 24 PHE HD1 . 16608 1 254 . 1 1 24 24 PHE HD2 H 1 6.6500 . . 3 . . . . 24 PHE HD2 . 16608 1 255 . 1 1 24 24 PHE HE1 H 1 6.7900 . . 3 . . . . 24 PHE HE1 . 16608 1 256 . 1 1 24 24 PHE HE2 H 1 6.7900 . . 3 . . . . 24 PHE HE2 . 16608 1 257 . 1 1 24 24 PHE CA C 13 55.8300 . . 1 . . . . 24 PHE CA . 16608 1 258 . 1 1 24 24 PHE CB C 13 41.6200 . . 1 . . . . 24 PHE CB . 16608 1 259 . 1 1 24 24 PHE CD1 C 13 132.424 . . 3 . . . . 24 PHE CD1 . 16608 1 260 . 1 1 24 24 PHE CD2 C 13 132.424 . . 3 . . . . 24 PHE CD2 . 16608 1 261 . 1 1 24 24 PHE N N 15 114.4700 . . 1 . . . . 24 PHE N . 16608 1 262 . 1 1 25 25 PHE H H 1 8.32 . . 1 . . . . 25 PHE HN . 16608 1 263 . 1 1 25 25 PHE HA H 1 4.6800 . . 1 . . . . 25 PHE HA . 16608 1 264 . 1 1 25 25 PHE HB2 H 1 3.0700 . . . . . . . 25 PHE HB# . 16608 1 265 . 1 1 25 25 PHE HB3 H 1 3.0700 . . . . . . . 25 PHE HB# . 16608 1 266 . 1 1 25 25 PHE HD1 H 1 7.130 . . 3 . . . . 25 PHE HD1 . 16608 1 267 . 1 1 25 25 PHE HD2 H 1 7.130 . . 3 . . . . 25 PHE HD2 . 16608 1 268 . 1 1 25 25 PHE CA C 13 56.8400 . . 1 . . . . 25 PHE CA . 16608 1 269 . 1 1 25 25 PHE CB C 13 40.00 . . 1 . . . . 25 PHE CB . 16608 1 270 . 1 1 25 25 PHE CD1 C 13 131.8400 . . 3 . . . . 25 PHE CD1 . 16608 1 271 . 1 1 25 25 PHE CD2 C 13 131.8400 . . 3 . . . . 25 PHE CD2 . 16608 1 272 . 1 1 26 26 TYR H H 1 7.9000 . . 1 . . . . 26 TYR HN . 16608 1 273 . 1 1 26 26 TYR HA H 1 4.56000 . . 1 . . . . 26 TYR HA . 16608 1 274 . 1 1 26 26 TYR HB2 H 1 2.8400 . . . . . . . 26 TYR HB# . 16608 1 275 . 1 1 26 26 TYR HB3 H 1 2.8400 . . . . . . . 26 TYR HB# . 16608 1 276 . 1 1 26 26 TYR HD1 H 1 6.9000 . . 3 . . . . 26 TYR HD1 . 16608 1 277 . 1 1 26 26 TYR HD2 H 1 6.9000 . . 3 . . . . 26 TYR HD2 . 16608 1 278 . 1 1 26 26 TYR HE1 H 1 6.6600 . . 3 . . . . 26 TYR HE1 . 16608 1 279 . 1 1 26 26 TYR HE2 H 1 6.6600 . . 3 . . . . 26 TYR HE2 . 16608 1 280 . 1 1 26 26 TYR CA C 13 58.4500 . . 1 . . . . 26 TYR CA . 16608 1 281 . 1 1 26 26 TYR CB C 13 39.7600 . . 1 . . . . 26 TYR CB . 16608 1 282 . 1 1 26 26 TYR CD1 C 13 132.7300 . . 3 . . . . 26 TYR CD1 . 16608 1 283 . 1 1 26 26 TYR CD2 C 13 132.7300 . . 3 . . . . 26 TYR CD2 . 16608 1 284 . 1 1 26 26 TYR CE1 C 13 118.0500 . . 3 . . . . 26 TYR CE1 . 16608 1 285 . 1 1 26 26 TYR CE2 C 13 118.0500 . . 3 . . . . 26 TYR CE2 . 16608 1 286 . 1 1 27 27 THR H H 1 7.890 . . 1 . . . . 27 THR HN . 16608 1 287 . 1 1 27 27 THR HA H 1 4.2800 . . 1 . . . . 27 THR HA . 16608 1 288 . 1 1 27 27 THR HB H 1 3.9900 . . 1 . . . . 27 THR HB . 16608 1 289 . 1 1 27 27 THR HG21 H 1 1.060 . . . . . . . 27 THR HG2# . 16608 1 290 . 1 1 27 27 THR HG22 H 1 1.060 . . . . . . . 27 THR HG2# . 16608 1 291 . 1 1 27 27 THR HG23 H 1 1.060 . . . . . . . 27 THR HG2# . 16608 1 292 . 1 1 27 27 THR CA C 13 60.9400 . . 1 . . . . 27 THR CA . 16608 1 293 . 1 1 27 27 THR CB C 13 70.1300 . . 1 . . . . 27 THR CB . 16608 1 294 . 1 1 27 27 THR CG2 C 13 21.7000 . . 1 . . . . 27 THR CG2 . 16608 1 295 . 1 1 28 28 LYS H H 1 8.2450 . . 1 . . . . 28 LYS HN . 16608 1 296 . 1 1 28 28 LYS HA H 1 4.3000 . . 1 . . . . 28 LYS HA . 16608 1 297 . 1 1 28 28 LYS HB2 H 1 1.7200 . . . . . . . 28 LYS HB1 . 16608 1 298 . 1 1 28 28 LYS HB3 H 1 1.6300 . . 2 . . . . 28 LYS HB2 . 16608 1 299 . 1 1 28 28 LYS HD2 H 1 2.9100 . . . . . . . 28 LYS HD# . 16608 1 300 . 1 1 28 28 LYS HD3 H 1 2.9100 . . . . . . . 28 LYS HD# . 16608 1 301 . 1 1 28 28 LYS HE2 H 1 2.8600 . . . . . . . 28 LYS HE# . 16608 1 302 . 1 1 28 28 LYS HE3 H 1 2.8600 . . . . . . . 28 LYS HE# . 16608 1 303 . 1 1 28 28 LYS HG2 H 1 1.3500 . . . . . . . 28 LYS HG# . 16608 1 304 . 1 1 28 28 LYS HG3 H 1 1.3500 . . . . . . . 28 LYS HG# . 16608 1 305 . 1 1 28 28 LYS CA C 13 54.5900 . . 1 . . . . 28 LYS CA . 16608 1 306 . 1 1 28 28 LYS CB C 13 32.7100 . . 1 . . . . 28 LYS CB . 16608 1 307 . 1 1 28 28 LYS CD C 13 29.3000 . . 1 . . . . 28 LYS CD . 16608 1 308 . 1 1 28 28 LYS CE C 13 42.6300 . . 1 . . . . 28 LYS CE . 16608 1 309 . 1 1 28 28 LYS CG C 13 24.5600 . . 1 . . . . 28 LYS CG . 16608 1 310 . 1 1 28 28 LYS N N 15 124.980 . . 1 . . . . 28 LYS N . 16608 1 311 . 1 1 29 29 PRO HA H 1 4.3500 . . 1 . . . . 29 PRO HA . 16608 1 312 . 1 1 29 29 PRO HB2 H 1 2.2200 . . . . . . . 29 PRO HB1 . 16608 1 313 . 1 1 29 29 PRO HB3 H 1 1.8300 . . 2 . . . . 29 PRO HB2 . 16608 1 314 . 1 1 29 29 PRO HD2 H 1 3.700 . . . . . . . 29 PRO HD1 . 16608 1 315 . 1 1 29 29 PRO HD3 H 1 3.600 . . 2 . . . . 29 PRO HD2 . 16608 1 316 . 1 1 29 29 PRO HG2 H 1 1.9100 . . . . . . . 29 PRO HG1 . 16608 1 317 . 1 1 29 29 PRO HG3 H 1 1.8600 . . 2 . . . . 29 PRO HG2 . 16608 1 318 . 1 1 29 29 PRO CA C 13 63.270 . . 1 . . . . 29 PRO CA . 16608 1 319 . 1 1 29 29 PRO CB C 13 32.240 . . 1 . . . . 29 PRO CB . 16608 1 320 . 1 1 29 29 PRO CD C 13 50.400 . . 1 . . . . 29 PRO CD . 16608 1 321 . 1 1 29 29 PRO CG C 13 27.3200 . . 1 . . . . 29 PRO CG . 16608 1 322 . 1 1 30 30 THR H H 1 8.2900 . . 1 . . . . 30 THR HN . 16608 1 323 . 1 1 30 30 THR HA H 1 4.240 . . 1 . . . . 30 THR HA . 16608 1 324 . 1 1 30 30 THR HB H 1 4.1400 . . 1 . . . . 30 THR HB . 16608 1 325 . 1 1 30 30 THR HG21 H 1 1.1600 . . . . . . . 30 THR HG2# . 16608 1 326 . 1 1 30 30 THR HG22 H 1 1.1600 . . . . . . . 30 THR HG2# . 16608 1 327 . 1 1 30 30 THR HG23 H 1 1.1600 . . . . . . . 30 THR HG2# . 16608 1 328 . 1 1 30 30 THR CA C 13 62.0400 . . 1 . . . . 30 THR CA . 16608 1 329 . 1 1 30 30 THR CB C 13 70.1800 . . 1 . . . . 30 THR CB . 16608 1 330 . 1 1 30 30 THR CG2 C 13 21.4500 . . 1 . . . . 30 THR CG2 . 16608 1 331 . 1 1 30 30 THR N N 15 115.130 . . 1 . . . . 30 THR N . 16608 1 332 . 1 1 31 31 ARG H H 1 8.3600 . . 1 . . . . 31 ARG HN . 16608 1 333 . 1 1 31 31 ARG HA H 1 4.2700 . . 1 . . . . 31 ARG HA . 16608 1 334 . 1 1 31 31 ARG HB2 H 1 1.7900 . . . . . . . 31 ARG HB1 . 16608 1 335 . 1 1 31 31 ARG HB3 H 1 1.700 . . 2 . . . . 31 ARG HB2 . 16608 1 336 . 1 1 31 31 ARG HD2 H 1 3.100 . . . . . . . 31 ARG HD# . 16608 1 337 . 1 1 31 31 ARG HD3 H 1 3.100 . . . . . . . 31 ARG HD# . 16608 1 338 . 1 1 31 31 ARG CA C 13 56.0800 . . 1 . . . . 31 ARG CA . 16608 1 339 . 1 1 31 31 ARG CB C 13 30.710 . . 1 . . . . 31 ARG CB . 16608 1 340 . 1 1 31 31 ARG CD C 13 43.1800 . . 1 . . . . 31 ARG CD . 16608 1 341 . 1 1 31 31 ARG N N 15 123.3800 . . 1 . . . . 31 ARG N . 16608 1 342 . 1 1 32 32 ARG H H 1 8.4800 . . 1 . . . . 32 ARG HN . 16608 1 343 . 1 1 32 32 ARG HA H 1 4.2500 . . 1 . . . . 32 ARG HA . 16608 1 344 . 1 1 32 32 ARG HB2 H 1 1.72 . . . . . . . 32 ARG HB# . 16608 1 345 . 1 1 32 32 ARG HB3 H 1 1.72 . . . . . . . 32 ARG HB# . 16608 1 346 . 1 1 32 32 ARG HD2 H 1 3.1100 . . . . . . . 32 ARG HD# . 16608 1 347 . 1 1 32 32 ARG HD3 H 1 3.1100 . . . . . . . 32 ARG HD# . 16608 1 348 . 1 1 32 32 ARG CA C 13 56.2800 . . 1 . . . . 32 ARG CA . 16608 1 349 . 1 1 32 32 ARG CB C 13 30.8200 . . 1 . . . . 32 ARG CB . 16608 1 350 . 1 1 32 32 ARG CD C 13 43.2000 . . 1 . . . . 32 ARG CD . 16608 1 351 . 1 1 32 32 ARG N N 15 123.0500 . . 1 . . . . 32 ARG N . 16608 1 352 . 1 1 33 33 GLU H H 1 8.5400 . . 1 . . . . 33 GLU HN . 16608 1 353 . 1 1 33 33 GLU HA H 1 4.1600 . . 1 . . . . 33 GLU HA . 16608 1 354 . 1 1 33 33 GLU HB2 H 1 1.800 . . . . . . . 33 GLU HB1 . 16608 1 355 . 1 1 33 33 GLU HB3 H 1 1.9400 . . 2 . . . . 33 GLU HB2 . 16608 1 356 . 1 1 33 33 GLU HG2 H 1 2.2100 . . . . . . . 33 GLU HG# . 16608 1 357 . 1 1 33 33 GLU HG3 H 1 2.2100 . . . . . . . 33 GLU HG# . 16608 1 358 . 1 1 33 33 GLU CA C 13 57.1000 . . 1 . . . . 33 GLU CA . 16608 1 359 . 1 1 33 33 GLU CB C 13 30.330 . . 1 . . . . 33 GLU CB . 16608 1 360 . 1 1 33 33 GLU CG C 13 36.3500 . . 1 . . . . 33 GLU CG . 16608 1 361 . 1 1 33 33 GLU N N 15 121.9200 . . 1 . . . . 33 GLU N . 16608 1 362 . 1 1 34 34 ALA H H 1 8.3000 . . 1 . . . . 34 ALA HN . 16608 1 363 . 1 1 34 34 ALA HA H 1 4.1900 . . 1 . . . . 34 ALA HA . 16608 1 364 . 1 1 34 34 ALA HB1 H 1 1.340 . . . . . . . 34 ALA HB# . 16608 1 365 . 1 1 34 34 ALA HB2 H 1 1.340 . . . . . . . 34 ALA HB# . 16608 1 366 . 1 1 34 34 ALA HB3 H 1 1.340 . . . . . . . 34 ALA HB# . 16608 1 367 . 1 1 34 34 ALA CA C 13 52.900 . . 1 . . . . 34 ALA CA . 16608 1 368 . 1 1 34 34 ALA CB C 13 19.3500 . . 1 . . . . 34 ALA CB . 16608 1 369 . 1 1 34 34 ALA N N 15 123.5100 . . 1 . . . . 34 ALA N . 16608 1 370 . 1 1 35 35 GLU H H 1 8.2900 . . 1 . . . . 35 GLU HN . 16608 1 371 . 1 1 35 35 GLU HA H 1 4.200 . . 1 . . . . 35 GLU HA . 16608 1 372 . 1 1 35 35 GLU HB2 H 1 1.8900 . . . . . . . 35 GLU HB1 . 16608 1 373 . 1 1 35 35 GLU HB3 H 1 2.00 . . 2 . . . . 35 GLU HB2 . 16608 1 374 . 1 1 35 35 GLU HG2 H 1 2.2000 . . . . . . . 35 GLU HG# . 16608 1 375 . 1 1 35 35 GLU HG3 H 1 2.2000 . . . . . . . 35 GLU HG# . 16608 1 376 . 1 1 35 35 GLU CA C 13 57.2700 . . 1 . . . . 35 GLU CA . 16608 1 377 . 1 1 35 35 GLU CB C 13 30.380 . . 1 . . . . 35 GLU CB . 16608 1 378 . 1 1 35 35 GLU CG C 13 36.4200 . . 1 . . . . 35 GLU CG . 16608 1 379 . 1 1 35 35 GLU N N 15 119.1600 . . 1 . . . . 35 GLU N . 16608 1 380 . 1 1 36 36 ASP H H 1 8.2200 . . 1 . . . . 36 ASP HN . 16608 1 381 . 1 1 36 36 ASP HA H 1 4.500 . . 1 . . . . 36 ASP HA . 16608 1 382 . 1 1 36 36 ASP HB2 H 1 2.6800 . . . . . . . 36 ASP HB1 . 16608 1 383 . 1 1 36 36 ASP HB3 H 1 2.5600 . . 2 . . . . 36 ASP HB2 . 16608 1 384 . 1 1 36 36 ASP CA C 13 54.3800 . . 1 . . . . 36 ASP CA . 16608 1 385 . 1 1 36 36 ASP CB C 13 41.17000 . . 1 . . . . 36 ASP CB . 16608 1 386 . 1 1 36 36 ASP N N 15 120.500 . . 1 . . . . 36 ASP N . 16608 1 387 . 1 1 37 37 LEU H H 1 8.0400 . . 1 . . . . 37 LEU HN . 16608 1 388 . 1 1 37 37 LEU HA H 1 4.215 . . 1 . . . . 37 LEU HA . 16608 1 389 . 1 1 37 37 LEU HB2 H 1 1.5300 . . . . . . . 37 LEU HB1 . 16608 1 390 . 1 1 37 37 LEU HB3 H 1 1.5800 . . 2 . . . . 37 LEU HB2 . 16608 1 391 . 1 1 37 37 LEU HD11 H 1 0.7900 . . . . . . . 37 LEU HD1# . 16608 1 392 . 1 1 37 37 LEU HD12 H 1 0.7900 . . . . . . . 37 LEU HD1# . 16608 1 393 . 1 1 37 37 LEU HD13 H 1 0.7900 . . . . . . . 37 LEU HD1# . 16608 1 394 . 1 1 37 37 LEU HD21 H 1 0.790 . . . . . . . 37 LEU HD2# . 16608 1 395 . 1 1 37 37 LEU HD22 H 1 0.790 . . . . . . . 37 LEU HD2# . 16608 1 396 . 1 1 37 37 LEU HD23 H 1 0.790 . . . . . . . 37 LEU HD2# . 16608 1 397 . 1 1 37 37 LEU HG H 1 1.5600 . . 1 . . . . 37 LEU HG . 16608 1 398 . 1 1 37 37 LEU CA C 13 55.5400 . . 1 . . . . 37 LEU CA . 16608 1 399 . 1 1 37 37 LEU CB C 13 42.2100 . . 1 . . . . 37 LEU CB . 16608 1 400 . 1 1 37 37 LEU CD1 C 13 24.4400 . . 2 . . . . 37 LEU CD1 . 16608 1 401 . 1 1 37 37 LEU CD2 C 13 24.4000 . . 2 . . . . 37 LEU CD2 . 16608 1 402 . 1 1 37 37 LEU CG C 13 27.1400 . . 1 . . . . 37 LEU CG . 16608 1 403 . 1 1 37 37 LEU N N 15 122.0200 . . 1 . . . . 37 LEU N . 16608 1 404 . 1 1 38 38 GLN H H 1 8.3050 . . 1 . . . . 38 GLN HN . 16608 1 405 . 1 1 38 38 GLN HA H 1 4.2500 . . 1 . . . . 38 GLN HA . 16608 1 406 . 1 1 38 38 GLN HB2 H 1 2.00 . . . . . . . 38 GLN HB1 . 16608 1 407 . 1 1 38 38 GLN HB3 H 1 1.900 . . 2 . . . . 38 GLN HB2 . 16608 1 408 . 1 1 38 38 GLN HE21 H 1 7.5300 . . 2 . . . . 38 GLN HE21 . 16608 1 409 . 1 1 38 38 GLN HE22 H 1 6.8700 . . 2 . . . . 38 GLN HE22 . 16608 1 410 . 1 1 38 38 GLN HG2 H 1 2.3000 . . . . . . . 38 GLN HG# . 16608 1 411 . 1 1 38 38 GLN HG3 H 1 2.3000 . . . . . . . 38 GLN HG# . 16608 1 412 . 1 1 38 38 GLN CA C 13 55.7200 . . 1 . . . . 38 GLN CA . 16608 1 413 . 1 1 38 38 GLN CB C 13 29.2800 . . 1 . . . . 38 GLN CB . 16608 1 414 . 1 1 38 38 GLN CG C 13 33.7400 . . 1 . . . . 38 GLN CG . 16608 1 415 . 1 1 38 38 GLN N N 15 120.5300 . . 1 . . . . 38 GLN N . 16608 1 416 . 1 1 38 38 GLN NE2 N 15 111.4400 . . 1 . . . . 38 GLN NE2 . 16608 1 417 . 1 1 39 39 VAL H H 1 8.0600 . . 1 . . . . 39 VAL HN . 16608 1 418 . 1 1 39 39 VAL HA H 1 4.027 . . 1 . . . . 39 VAL HA . 16608 1 419 . 1 1 39 39 VAL HB H 1 2.0100 . . 1 . . . . 39 VAL HB . 16608 1 420 . 1 1 39 39 VAL HG11 H 1 0.8800 . . . . . . . 39 VAL HG1# . 16608 1 421 . 1 1 39 39 VAL HG12 H 1 0.8800 . . . . . . . 39 VAL HG1# . 16608 1 422 . 1 1 39 39 VAL HG13 H 1 0.8800 . . . . . . . 39 VAL HG1# . 16608 1 423 . 1 1 39 39 VAL HG21 H 1 0.880 . . . . . . . 39 VAL HG2# . 16608 1 424 . 1 1 39 39 VAL HG22 H 1 0.880 . . . . . . . 39 VAL HG2# . 16608 1 425 . 1 1 39 39 VAL HG23 H 1 0.880 . . . . . . . 39 VAL HG2# . 16608 1 426 . 1 1 39 39 VAL CA C 13 62.7700 . . 1 . . . . 39 VAL CA . 16608 1 427 . 1 1 39 39 VAL CB C 13 32.7100 . . 1 . . . . 39 VAL CB . 16608 1 428 . 1 1 39 39 VAL CG1 C 13 20.9300 . . 2 . . . . 39 VAL CG1 . 16608 1 429 . 1 1 39 39 VAL CG2 C 13 20.9300 . . 2 . . . . 39 VAL CG2 . 16608 1 430 . 1 1 39 39 VAL N N 15 120.6700 . . 1 . . . . 39 VAL N . 16608 1 431 . 1 1 40 40 GLY H H 1 8.4800 . . 1 . . . . 40 GLY HN . 16608 1 432 . 1 1 40 40 GLY HA2 H 1 3.900 . . . . . . . 40 GLY HA# . 16608 1 433 . 1 1 40 40 GLY HA3 H 1 3.900 . . . . . . . 40 GLY HA# . 16608 1 434 . 1 1 40 40 GLY CA C 13 45.30 . . 1 . . . . 40 GLY CA . 16608 1 435 . 1 1 40 40 GLY N N 15 112.2300 . . 1 . . . . 40 GLY N . 16608 1 436 . 1 1 41 41 GLN H H 1 8.1700 . . 1 . . . . 41 GLN HN . 16608 1 437 . 1 1 41 41 GLN HA H 1 4.2800 . . 1 . . . . 41 GLN HA . 16608 1 438 . 1 1 41 41 GLN HB2 H 1 1.9800 . . . . . . . 41 GLN HB# . 16608 1 439 . 1 1 41 41 GLN HB3 H 1 1.9800 . . . . . . . 41 GLN HB# . 16608 1 440 . 1 1 41 41 GLN HE21 H 1 7.5300 . . 2 . . . . 41 GLN HE21 . 16608 1 441 . 1 1 41 41 GLN HE22 H 1 6.8700 . . 2 . . . . 41 GLN HE22 . 16608 1 442 . 1 1 41 41 GLN HG2 H 1 2.2500 . . . . . . . 41 GLN HG# . 16608 1 443 . 1 1 41 41 GLN HG3 H 1 2.2500 . . . . . . . 41 GLN HG# . 16608 1 444 . 1 1 41 41 GLN CA C 13 55.7900 . . 1 . . . . 41 GLN CA . 16608 1 445 . 1 1 41 41 GLN CB C 13 29.6100 . . 1 . . . . 41 GLN CB . 16608 1 446 . 1 1 41 41 GLN CG C 13 33.6900 . . 1 . . . . 41 GLN CG . 16608 1 447 . 1 1 41 41 GLN N N 15 119.9300 . . 1 . . . . 41 GLN N . 16608 1 448 . 1 1 41 41 GLN NE2 N 15 111.4400 . . 1 . . . . 41 GLN NE2 . 16608 1 449 . 1 1 42 42 VAL H H 1 8.1700 . . 1 . . . . 42 VAL HN . 16608 1 450 . 1 1 42 42 VAL HA H 1 4.01 . . 1 . . . . 42 VAL HA . 16608 1 451 . 1 1 42 42 VAL HB H 1 1.967 . . 1 . . . . 42 VAL HB . 16608 1 452 . 1 1 42 42 VAL HG11 H 1 0.8350 . . . . . . . 42 VAL HG1# . 16608 1 453 . 1 1 42 42 VAL HG12 H 1 0.8350 . . . . . . . 42 VAL HG1# . 16608 1 454 . 1 1 42 42 VAL HG13 H 1 0.8350 . . . . . . . 42 VAL HG1# . 16608 1 455 . 1 1 42 42 VAL HG21 H 1 0.8340 . . . . . . . 42 VAL HG2# . 16608 1 456 . 1 1 42 42 VAL HG22 H 1 0.8340 . . . . . . . 42 VAL HG2# . 16608 1 457 . 1 1 42 42 VAL HG23 H 1 0.8340 . . . . . . . 42 VAL HG2# . 16608 1 458 . 1 1 42 42 VAL CA C 13 62.400 . . 1 . . . . 42 VAL CA . 16608 1 459 . 1 1 42 42 VAL CB C 13 32.9100 . . 1 . . . . 42 VAL CB . 16608 1 460 . 1 1 42 42 VAL CG1 C 13 21.2500 . . 2 . . . . 42 VAL CG1 . 16608 1 461 . 1 1 42 42 VAL CG2 C 13 21.2500 . . 2 . . . . 42 VAL CG2 . 16608 1 462 . 1 1 42 42 VAL N N 15 121.3800 . . 1 . . . . 42 VAL N . 16608 1 463 . 1 1 43 43 GLU H H 1 8.5250 . . 1 . . . . 43 GLU HN . 16608 1 464 . 1 1 43 43 GLU HA H 1 4.210 . . 1 . . . . 43 GLU HA . 16608 1 465 . 1 1 43 43 GLU HB2 H 1 1.900 . . . . . . . 43 GLU HB# . 16608 1 466 . 1 1 43 43 GLU HB3 H 1 1.900 . . . . . . . 43 GLU HB# . 16608 1 467 . 1 1 43 43 GLU HG2 H 1 2.200 . . . . . . . 43 GLU HG# . 16608 1 468 . 1 1 43 43 GLU HG3 H 1 2.200 . . . . . . . 43 GLU HG# . 16608 1 469 . 1 1 43 43 GLU CA C 13 56.6900 . . 1 . . . . 43 GLU CA . 16608 1 470 . 1 1 43 43 GLU CB C 13 30.3300 . . 1 . . . . 43 GLU CB . 16608 1 471 . 1 1 43 43 GLU CG C 13 36.3500 . . 1 . . . . 43 GLU CG . 16608 1 472 . 1 1 43 43 GLU N N 15 124.5400 . . 1 . . . . 43 GLU N . 16608 1 473 . 1 1 44 44 LEU H H 1 8.35700 . . 1 . . . . 44 LEU HN . 16608 1 474 . 1 1 44 44 LEU HA H 1 4.30 . . 1 . . . . 44 LEU HA . 16608 1 475 . 1 1 44 44 LEU HB2 H 1 1.550 . . . . . . . 44 LEU HB# . 16608 1 476 . 1 1 44 44 LEU HB3 H 1 1.550 . . . . . . . 44 LEU HB# . 16608 1 477 . 1 1 44 44 LEU HD11 H 1 0.800 . . . . . . . 44 LEU HD1# . 16608 1 478 . 1 1 44 44 LEU HD12 H 1 0.800 . . . . . . . 44 LEU HD1# . 16608 1 479 . 1 1 44 44 LEU HD13 H 1 0.800 . . . . . . . 44 LEU HD1# . 16608 1 480 . 1 1 44 44 LEU HD21 H 1 0.80 . . . . . . . 44 LEU HD2# . 16608 1 481 . 1 1 44 44 LEU HD22 H 1 0.80 . . . . . . . 44 LEU HD2# . 16608 1 482 . 1 1 44 44 LEU HD23 H 1 0.80 . . . . . . . 44 LEU HD2# . 16608 1 483 . 1 1 44 44 LEU HG H 1 1.5500 . . 1 . . . . 44 LEU HG . 16608 1 484 . 1 1 44 44 LEU CA C 13 55.1900 . . 1 . . . . 44 LEU CA . 16608 1 485 . 1 1 44 44 LEU CB C 13 42.460 . . 1 . . . . 44 LEU CB . 16608 1 486 . 1 1 44 44 LEU CD1 C 13 24.4100 . . 2 . . . . 44 LEU CD1 . 16608 1 487 . 1 1 44 44 LEU CD2 C 13 24.4100 . . 2 . . . . 44 LEU CD2 . 16608 1 488 . 1 1 44 44 LEU CG C 13 27.1000 . . 1 . . . . 44 LEU CG . 16608 1 489 . 1 1 44 44 LEU N N 15 123.7700 . . 1 . . . . 44 LEU N . 16608 1 490 . 1 1 45 45 GLY H H 1 8.4600 . . 1 . . . . 45 GLY HN . 16608 1 491 . 1 1 45 45 GLY HA2 H 1 3.8900 . . . . . . . 45 GLY HA# . 16608 1 492 . 1 1 45 45 GLY HA3 H 1 3.8900 . . . . . . . 45 GLY HA# . 16608 1 493 . 1 1 45 45 GLY CA C 13 45.6300 . . 1 . . . . 45 GLY CA . 16608 1 494 . 1 1 45 45 GLY N N 15 109.5600 . . 1 . . . . 45 GLY N . 16608 1 495 . 1 1 46 46 GLY H H 1 8.25800 . . 1 . . . . 46 GLY HN . 16608 1 496 . 1 1 46 46 GLY HA2 H 1 3.900 . . . . . . . 46 GLY HA# . 16608 1 497 . 1 1 46 46 GLY HA3 H 1 3.900 . . . . . . . 46 GLY HA# . 16608 1 498 . 1 1 46 46 GLY CA C 13 45.3500 . . 1 . . . . 46 GLY CA . 16608 1 499 . 1 1 46 46 GLY N N 15 108.3700 . . 1 . . . . 46 GLY N . 16608 1 500 . 1 1 47 47 GLY H H 1 8.18600 . . 1 . . . . 47 GLY HN . 16608 1 501 . 1 1 47 47 GLY HA2 H 1 4.0500 . . . . . . . 47 GLY HA# . 16608 1 502 . 1 1 47 47 GLY HA3 H 1 4.0500 . . . . . . . 47 GLY HA# . 16608 1 503 . 1 1 47 47 GLY CA C 13 44.200 . . 1 . . . . 47 GLY CA . 16608 1 504 . 1 1 47 47 GLY N N 15 108.8900 . . 1 . . . . 47 GLY N . 16608 1 505 . 1 1 48 48 PRO HA H 1 4.3400 . . 1 . . . . 48 PRO HA . 16608 1 506 . 1 1 48 48 PRO HB2 H 1 2.1900 . . . . . . . 48 PRO HB# . 16608 1 507 . 1 1 48 48 PRO HB3 H 1 2.1900 . . . . . . . 48 PRO HB# . 16608 1 508 . 1 1 48 48 PRO HD2 H 1 3.5900 . . . . . . . 48 PRO HD# . 16608 1 509 . 1 1 48 48 PRO HD3 H 1 3.5900 . . . . . . . 48 PRO HD# . 16608 1 510 . 1 1 48 48 PRO HG2 H 1 1.9100 . . . . . . . 48 PRO HG# . 16608 1 511 . 1 1 48 48 PRO HG3 H 1 1.9100 . . . . . . . 48 PRO HG# . 16608 1 512 . 1 1 48 48 PRO CA C 13 63.8200 . . 1 . . . . 48 PRO CA . 16608 1 513 . 1 1 48 48 PRO CB C 13 32.110 . . 1 . . . . 48 PRO CB . 16608 1 514 . 1 1 48 48 PRO CD C 13 49.6400 . . 1 . . . . 48 PRO CD . 16608 1 515 . 1 1 48 48 PRO CG C 13 27.9900 . . 1 . . . . 48 PRO CG . 16608 1 516 . 1 1 49 49 GLY H H 1 8.5500 . . 1 . . . . 49 GLY HN . 16608 1 517 . 1 1 49 49 GLY HA2 H 1 3.85800 . . . . . . . 49 GLY HA# . 16608 1 518 . 1 1 49 49 GLY HA3 H 1 3.85800 . . . . . . . 49 GLY HA# . 16608 1 519 . 1 1 49 49 GLY CA C 13 45.4100 . . 1 . . . . 49 GLY CA . 16608 1 520 . 1 1 49 49 GLY N N 15 109.600 . . 1 . . . . 49 GLY N . 16608 1 521 . 1 1 50 50 ALA H H 1 8.140 . . 1 . . . . 50 ALA HN . 16608 1 522 . 1 1 50 50 ALA HA H 1 4.26 . . 1 . . . . 50 ALA HA . 16608 1 523 . 1 1 50 50 ALA HB1 H 1 1.330 . . . . . . . 50 ALA HB# . 16608 1 524 . 1 1 50 50 ALA HB2 H 1 1.330 . . . . . . . 50 ALA HB# . 16608 1 525 . 1 1 50 50 ALA HB3 H 1 1.330 . . . . . . . 50 ALA HB# . 16608 1 526 . 1 1 50 50 ALA CA C 13 52.97 . . 1 . . . . 50 ALA CA . 16608 1 527 . 1 1 50 50 ALA CB C 13 19.3400 . . 1 . . . . 50 ALA CB . 16608 1 528 . 1 1 50 50 ALA N N 15 123.9300 . . 1 . . . . 50 ALA N . 16608 1 529 . 1 1 51 51 GLY H H 1 8.4300 . . 1 . . . . 51 GLY HN . 16608 1 530 . 1 1 51 51 GLY HA2 H 1 3.8800 . . . . . . . 51 GLY HA# . 16608 1 531 . 1 1 51 51 GLY HA3 H 1 3.8800 . . . . . . . 51 GLY HA# . 16608 1 532 . 1 1 51 51 GLY CA C 13 45.5900 . . 1 . . . . 51 GLY CA . 16608 1 533 . 1 1 51 51 GLY N N 15 108.0800 . . 1 . . . . 51 GLY N . 16608 1 534 . 1 1 52 52 SER H H 1 8.0800 . . 1 . . . . 52 SER HN . 16608 1 535 . 1 1 52 52 SER HA H 1 4.3900 . . 1 . . . . 52 SER HA . 16608 1 536 . 1 1 52 52 SER HB2 H 1 4.3200 . . . . . . . 52 SER HB1 . 16608 1 537 . 1 1 52 52 SER HB3 H 1 4.4100 . . 2 . . . . 52 SER HB2 . 16608 1 538 . 1 1 52 52 SER CA C 13 58.6900 . . 1 . . . . 52 SER CA . 16608 1 539 . 1 1 52 52 SER CB C 13 64.0800 . . 1 . . . . 52 SER CB . 16608 1 540 . 1 1 52 52 SER N N 15 115.2900 . . 1 . . . . 52 SER N . 16608 1 541 . 1 1 53 53 LEU H H 1 8.2400 . . 1 . . . . 53 LEU HN . 16608 1 542 . 1 1 53 53 LEU HA H 1 4.29 . . 1 . . . . 53 LEU HA . 16608 1 543 . 1 1 53 53 LEU HB2 H 1 1.50 . . . . . . . 53 LEU HB# . 16608 1 544 . 1 1 53 53 LEU HB3 H 1 1.50 . . . . . . . 53 LEU HB# . 16608 1 545 . 1 1 53 53 LEU HD11 H 1 0.7900 . . . . . . . 53 LEU HD1# . 16608 1 546 . 1 1 53 53 LEU HD12 H 1 0.7900 . . . . . . . 53 LEU HD1# . 16608 1 547 . 1 1 53 53 LEU HD13 H 1 0.7900 . . . . . . . 53 LEU HD1# . 16608 1 548 . 1 1 53 53 LEU HD21 H 1 0.790 . . . . . . . 53 LEU HD2# . 16608 1 549 . 1 1 53 53 LEU HD22 H 1 0.790 . . . . . . . 53 LEU HD2# . 16608 1 550 . 1 1 53 53 LEU HD23 H 1 0.790 . . . . . . . 53 LEU HD2# . 16608 1 551 . 1 1 53 53 LEU HG H 1 1.5600 . . 1 . . . . 53 LEU HG . 16608 1 552 . 1 1 53 53 LEU CA C 13 54.4100 . . 1 . . . . 53 LEU CA . 16608 1 553 . 1 1 53 53 LEU CB C 13 42.40 . . 1 . . . . 53 LEU CB . 16608 1 554 . 1 1 53 53 LEU CD1 C 13 24.5500 . . 2 . . . . 53 LEU CD1 . 16608 1 555 . 1 1 53 53 LEU CD2 C 13 24.5500 . . 2 . . . . 53 LEU CD2 . 16608 1 556 . 1 1 53 53 LEU CG C 13 27.2200 . . 1 . . . . 53 LEU CG . 16608 1 557 . 1 1 53 53 LEU N N 15 123.5600 . . 1 . . . . 53 LEU N . 16608 1 558 . 1 1 54 54 GLN H H 1 8.2600 . . 1 . . . . 54 GLN HN . 16608 1 559 . 1 1 54 54 GLN HA H 1 4.3100 . . 1 . . . . 54 GLN HA . 16608 1 560 . 1 1 54 54 GLN HB2 H 1 1.8200 . . . . . . . 54 GLN HB1 . 16608 1 561 . 1 1 54 54 GLN HB3 H 1 1.7100 . . 2 . . . . 54 GLN HB2 . 16608 1 562 . 1 1 54 54 GLN HE21 H 1 7.5300 . . 2 . . . . 54 GLN HE21 . 16608 1 563 . 1 1 54 54 GLN HE22 H 1 6.8700 . . 2 . . . . 54 GLN HE22 . 16608 1 564 . 1 1 54 54 GLN HG2 H 1 2.4000 . . . . . . . 54 GLN HG1 . 16608 1 565 . 1 1 54 54 GLN HG3 H 1 2.2900 . . 2 . . . . 54 GLN HG2 . 16608 1 566 . 1 1 54 54 GLN CA C 13 53.6800 . . 1 . . . . 54 GLN CA . 16608 1 567 . 1 1 54 54 GLN CB C 13 28.9800 . . 1 . . . . 54 GLN CB . 16608 1 568 . 1 1 54 54 GLN CG C 13 33.8000 . . 1 . . . . 54 GLN CG . 16608 1 569 . 1 1 54 54 GLN N N 15 121.9600 . . 1 . . . . 54 GLN N . 16608 1 570 . 1 1 54 54 GLN NE2 N 15 111.4400 . . 1 . . . . 54 GLN NE2 . 16608 1 571 . 1 1 55 55 PRO HA H 1 4.31400 . . 1 . . . . 55 PRO HA . 16608 1 572 . 1 1 55 55 PRO HB3 H 1 2.200 . . 2 . . . . 55 PRO HB3 . 16608 1 573 . 1 1 55 55 PRO HD2 H 1 3.700 . . . . . . . 55 PRO HD1 . 16608 1 574 . 1 1 55 55 PRO HD3 H 1 3.600 . . 2 . . . . 55 PRO HD2 . 16608 1 575 . 1 1 55 55 PRO HG2 H 1 1.8900 . . . . . . . 55 PRO HG# . 16608 1 576 . 1 1 55 55 PRO HG3 H 1 1.8900 . . . . . . . 55 PRO HG# . 16608 1 577 . 1 1 55 55 PRO CA C 13 63.4100 . . 1 . . . . 55 PRO CA . 16608 1 578 . 1 1 55 55 PRO CB C 13 32.10 . . 1 . . . . 55 PRO CB . 16608 1 579 . 1 1 55 55 PRO CD C 13 50.400 . . 1 . . . . 55 PRO CD . 16608 1 580 . 1 1 55 55 PRO CG C 13 27.3200 . . 1 . . . . 55 PRO CG . 16608 1 581 . 1 1 56 56 LEU H H 1 8.287000 . . 1 . . . . 56 LEU HN . 16608 1 582 . 1 1 56 56 LEU HA H 1 4.20 . . 1 . . . . 56 LEU HA . 16608 1 583 . 1 1 56 56 LEU HB2 H 1 1.550 . . . . . . . 56 LEU HB# . 16608 1 584 . 1 1 56 56 LEU HB3 H 1 1.550 . . . . . . . 56 LEU HB# . 16608 1 585 . 1 1 56 56 LEU HD11 H 1 0.8040 . . . . . . . 56 LEU HD1# . 16608 1 586 . 1 1 56 56 LEU HD12 H 1 0.8040 . . . . . . . 56 LEU HD1# . 16608 1 587 . 1 1 56 56 LEU HD13 H 1 0.8040 . . . . . . . 56 LEU HD1# . 16608 1 588 . 1 1 56 56 LEU HD21 H 1 0.804 . . . . . . . 56 LEU HD2# . 16608 1 589 . 1 1 56 56 LEU HD22 H 1 0.804 . . . . . . . 56 LEU HD2# . 16608 1 590 . 1 1 56 56 LEU HD23 H 1 0.804 . . . . . . . 56 LEU HD2# . 16608 1 591 . 1 1 56 56 LEU HG H 1 1.500 . . 1 . . . . 56 LEU HG . 16608 1 592 . 1 1 56 56 LEU CA C 13 55.6600 . . 1 . . . . 56 LEU CA . 16608 1 593 . 1 1 56 56 LEU CB C 13 42.360 . . 1 . . . . 56 LEU CB . 16608 1 594 . 1 1 56 56 LEU CD1 C 13 24.4600 . . 2 . . . . 56 LEU CD1 . 16608 1 595 . 1 1 56 56 LEU CD2 C 13 24.4600 . . 2 . . . . 56 LEU CD2 . 16608 1 596 . 1 1 56 56 LEU CG C 13 27.2600 . . 1 . . . . 56 LEU CG . 16608 1 597 . 1 1 56 56 LEU N N 15 121.5300 . . 1 . . . . 56 LEU N . 16608 1 598 . 1 1 57 57 ALA H H 1 8.16500 . . 1 . . . . 57 ALA HN . 16608 1 599 . 1 1 57 57 ALA HA H 1 4.2400 . . 1 . . . . 57 ALA HA . 16608 1 600 . 1 1 57 57 ALA HB1 H 1 1.310 . . . . . . . 57 ALA HB# . 16608 1 601 . 1 1 57 57 ALA HB2 H 1 1.310 . . . . . . . 57 ALA HB# . 16608 1 602 . 1 1 57 57 ALA HB3 H 1 1.310 . . . . . . . 57 ALA HB# . 16608 1 603 . 1 1 57 57 ALA CA C 13 52.7100 . . 1 . . . . 57 ALA CA . 16608 1 604 . 1 1 57 57 ALA CB C 13 19.300 . . 1 . . . . 57 ALA CB . 16608 1 605 . 1 1 57 57 ALA N N 15 124.2900 . . 1 . . . . 57 ALA N . 16608 1 606 . 1 1 58 58 LEU H H 1 8.1400 . . 1 . . . . 58 LEU HN . 16608 1 607 . 1 1 58 58 LEU HA H 1 4.1800 . . 1 . . . . 58 LEU HA . 16608 1 608 . 1 1 58 58 LEU HB2 H 1 1.520 . . . . . . . 58 LEU HB# . 16608 1 609 . 1 1 58 58 LEU HB3 H 1 1.520 . . . . . . . 58 LEU HB# . 16608 1 610 . 1 1 58 58 LEU HD11 H 1 0.7800 . . . . . . . 58 LEU HD1# . 16608 1 611 . 1 1 58 58 LEU HD12 H 1 0.7800 . . . . . . . 58 LEU HD1# . 16608 1 612 . 1 1 58 58 LEU HD13 H 1 0.7800 . . . . . . . 58 LEU HD1# . 16608 1 613 . 1 1 58 58 LEU HD21 H 1 0.780 . . . . . . . 58 LEU HD2# . 16608 1 614 . 1 1 58 58 LEU HD22 H 1 0.780 . . . . . . . 58 LEU HD2# . 16608 1 615 . 1 1 58 58 LEU HD23 H 1 0.780 . . . . . . . 58 LEU HD2# . 16608 1 616 . 1 1 58 58 LEU HG H 1 1.500 . . 1 . . . . 58 LEU HG . 16608 1 617 . 1 1 58 58 LEU CA C 13 55.8400 . . 1 . . . . 58 LEU CA . 16608 1 618 . 1 1 58 58 LEU CB C 13 42.390 . . 1 . . . . 58 LEU CB . 16608 1 619 . 1 1 58 58 LEU CD1 C 13 24.4400 . . 2 . . . . 58 LEU CD1 . 16608 1 620 . 1 1 58 58 LEU CD2 C 13 24.4400 . . 2 . . . . 58 LEU CD2 . 16608 1 621 . 1 1 58 58 LEU CG C 13 27.1000 . . 1 . . . . 58 LEU CG . 16608 1 622 . 1 1 58 58 LEU N N 15 121.07500 . . 1 . . . . 58 LEU N . 16608 1 623 . 1 1 59 59 GLU H H 1 8.41500 . . 1 . . . . 59 GLU HN . 16608 1 624 . 1 1 59 59 GLU HA H 1 4.090 . . 1 . . . . 59 GLU HA . 16608 1 625 . 1 1 59 59 GLU HB2 H 1 1.9400 . . . . . . . 59 GLU HB# . 16608 1 626 . 1 1 59 59 GLU HB3 H 1 1.9400 . . . . . . . 59 GLU HB# . 16608 1 627 . 1 1 59 59 GLU HG2 H 1 2.1900 . . . . . . . 59 GLU HG# . 16608 1 628 . 1 1 59 59 GLU HG3 H 1 2.1900 . . . . . . . 59 GLU HG# . 16608 1 629 . 1 1 59 59 GLU CA C 13 57.7900 . . 1 . . . . 59 GLU CA . 16608 1 630 . 1 1 59 59 GLU CB C 13 30.0500 . . 1 . . . . 59 GLU CB . 16608 1 631 . 1 1 59 59 GLU CG C 13 36.3400 . . 1 . . . . 59 GLU CG . 16608 1 632 . 1 1 59 59 GLU N N 15 121.100 . . 1 . . . . 59 GLU N . 16608 1 633 . 1 1 60 60 GLY H H 1 8.396 . . 1 . . . . 60 GLY HN . 16608 1 634 . 1 1 60 60 GLY HA2 H 1 3.8900 . . . . . . . 60 GLY HA# . 16608 1 635 . 1 1 60 60 GLY HA3 H 1 3.8900 . . . . . . . 60 GLY HA# . 16608 1 636 . 1 1 60 60 GLY CA C 13 46.0300 . . 1 . . . . 60 GLY CA . 16608 1 637 . 1 1 60 60 GLY N N 15 109.3800 . . 1 . . . . 60 GLY N . 16608 1 638 . 1 1 61 61 SER H H 1 8.15800 . . 1 . . . . 61 SER HN . 16608 1 639 . 1 1 61 61 SER HA H 1 4.3400 . . 1 . . . . 61 SER HA . 16608 1 640 . 1 1 61 61 SER HB2 H 1 3.900 . . . . . . . 61 SER HB# . 16608 1 641 . 1 1 61 61 SER HB3 H 1 3.900 . . . . . . . 61 SER HB# . 16608 1 642 . 1 1 61 61 SER CA C 13 59.4100 . . 1 . . . . 61 SER CA . 16608 1 643 . 1 1 61 61 SER CB C 13 63.8900 . . 1 . . . . 61 SER CB . 16608 1 644 . 1 1 61 61 SER N N 15 115.9700 . . 1 . . . . 61 SER N . 16608 1 645 . 1 1 62 62 LEU H H 1 8.22500 . . 1 . . . . 62 LEU HN . 16608 1 646 . 1 1 62 62 LEU HA H 1 3.8400 . . 1 . . . . 62 LEU HA . 16608 1 647 . 1 1 62 62 LEU HB2 H 1 1.3850 . . . . . . . 62 LEU HB1 . 16608 1 648 . 1 1 62 62 LEU HB3 H 1 1.4500 . . 2 . . . . 62 LEU HB2 . 16608 1 649 . 1 1 62 62 LEU HD11 H 1 0.8100 . . . . . . . 62 LEU HD1# . 16608 1 650 . 1 1 62 62 LEU HD12 H 1 0.8100 . . . . . . . 62 LEU HD1# . 16608 1 651 . 1 1 62 62 LEU HD13 H 1 0.8100 . . . . . . . 62 LEU HD1# . 16608 1 652 . 1 1 62 62 LEU HD21 H 1 0.7480 . . . . . . . 62 LEU HD2# . 16608 1 653 . 1 1 62 62 LEU HD22 H 1 0.7480 . . . . . . . 62 LEU HD2# . 16608 1 654 . 1 1 62 62 LEU HD23 H 1 0.7480 . . . . . . . 62 LEU HD2# . 16608 1 655 . 1 1 62 62 LEU HG H 1 1.4700 . . 1 . . . . 62 LEU HG . 16608 1 656 . 1 1 62 62 LEU CA C 13 56.5200 . . 1 . . . . 62 LEU CA . 16608 1 657 . 1 1 62 62 LEU CB C 13 42.1070 . . 1 . . . . 62 LEU CB . 16608 1 658 . 1 1 62 62 LEU CD1 C 13 24.4300 . . 2 . . . . 62 LEU CD1 . 16608 1 659 . 1 1 62 62 LEU CD2 C 13 24.5100 . . 2 . . . . 62 LEU CD2 . 16608 1 660 . 1 1 62 62 LEU CG C 13 27.1000 . . 1 . . . . 62 LEU CG . 16608 1 661 . 1 1 62 62 LEU N N 15 122.6900 . . 1 . . . . 62 LEU N . 16608 1 662 . 1 1 63 63 GLN H H 1 8.3200 . . 1 . . . . 63 GLN HN . 16608 1 663 . 1 1 63 63 GLN HA H 1 4.2400 . . 1 . . . . 63 GLN HA . 16608 1 664 . 1 1 63 63 GLN HB2 H 1 2.17 . . . . . . . 63 GLN HB# . 16608 1 665 . 1 1 63 63 GLN HB3 H 1 2.17 . . . . . . . 63 GLN HB# . 16608 1 666 . 1 1 63 63 GLN HE21 H 1 7.5300 . . 2 . . . . 63 GLN HE21 . 16608 1 667 . 1 1 63 63 GLN HE22 H 1 6.8700 . . 2 . . . . 63 GLN HE22 . 16608 1 668 . 1 1 63 63 GLN HG2 H 1 2.4000 . . . . . . . 63 GLN HG1 . 16608 1 669 . 1 1 63 63 GLN HG3 H 1 2.2900 . . 2 . . . . 63 GLN HG2 . 16608 1 670 . 1 1 63 63 GLN CA C 13 56.3400 . . 1 . . . . 63 GLN CA . 16608 1 671 . 1 1 63 63 GLN CB C 13 30.3400 . . 1 . . . . 63 GLN CB . 16608 1 672 . 1 1 63 63 GLN CG C 13 33.8000 . . 1 . . . . 63 GLN CG . 16608 1 673 . 1 1 63 63 GLN N N 15 111.5100 . . 1 . . . . 63 GLN N . 16608 1 674 . 1 1 63 63 GLN NE2 N 15 111.4400 . . 1 . . . . 63 GLN NE2 . 16608 1 675 . 1 1 64 64 LYS H H 1 8.3600 . . 1 . . . . 64 LYS HN . 16608 1 676 . 1 1 64 64 LYS HA H 1 4.3000 . . 1 . . . . 64 LYS HA . 16608 1 677 . 1 1 64 64 LYS HB2 H 1 1.7200 . . . . . . . 64 LYS HB1 . 16608 1 678 . 1 1 64 64 LYS HB3 H 1 1.6300 . . 2 . . . . 64 LYS HB2 . 16608 1 679 . 1 1 64 64 LYS HD2 H 1 2.9100 . . . . . . . 64 LYS HD# . 16608 1 680 . 1 1 64 64 LYS HD3 H 1 2.9100 . . . . . . . 64 LYS HD# . 16608 1 681 . 1 1 64 64 LYS HE2 H 1 2.8600 . . . . . . . 64 LYS HE# . 16608 1 682 . 1 1 64 64 LYS HE3 H 1 2.8600 . . . . . . . 64 LYS HE# . 16608 1 683 . 1 1 64 64 LYS HG2 H 1 1.3500 . . . . . . . 64 LYS HG# . 16608 1 684 . 1 1 64 64 LYS HG3 H 1 1.3500 . . . . . . . 64 LYS HG# . 16608 1 685 . 1 1 64 64 LYS CA C 13 54.5000 . . 1 . . . . 64 LYS CA . 16608 1 686 . 1 1 64 64 LYS CB C 13 32.5900 . . 1 . . . . 64 LYS CB . 16608 1 687 . 1 1 64 64 LYS CD C 13 29.3000 . . 1 . . . . 64 LYS CD . 16608 1 688 . 1 1 64 64 LYS CE C 13 42.6300 . . 1 . . . . 64 LYS CE . 16608 1 689 . 1 1 64 64 LYS CG C 13 24.5600 . . 1 . . . . 64 LYS CG . 16608 1 690 . 1 1 64 64 LYS N N 15 119.0000 . . 1 . . . . 64 LYS N . 16608 1 691 . 1 1 65 65 ARG H H 1 8.0600 . . 1 . . . . 65 ARG HN . 16608 1 692 . 1 1 65 65 ARG HA H 1 4.1000 . . 1 . . . . 65 ARG HA . 16608 1 693 . 1 1 65 65 ARG HB2 H 1 2.0800 . . . . . . . 65 ARG HB1 . 16608 1 694 . 1 1 65 65 ARG HB3 H 1 1.9800 . . 2 . . . . 65 ARG HB2 . 16608 1 695 . 1 1 65 65 ARG HD2 H 1 3.3200 . . . . . . . 65 ARG HD1 . 16608 1 696 . 1 1 65 65 ARG HD3 H 1 3.2600 . . 2 . . . . 65 ARG HD2 . 16608 1 697 . 1 1 65 65 ARG HG2 H 1 1.8000 . . . . . . . 65 ARG HG# . 16608 1 698 . 1 1 65 65 ARG HG3 H 1 1.8000 . . . . . . . 65 ARG HG# . 16608 1 699 . 1 1 65 65 ARG CA C 13 55.700 . . 1 . . . . 65 ARG CA . 16608 1 700 . 1 1 65 65 ARG CB C 13 29.600 . . 1 . . . . 65 ARG CB . 16608 1 701 . 1 1 65 65 ARG CD C 13 44.2000 . . 1 . . . . 65 ARG CD . 16608 1 702 . 1 1 65 65 ARG CG C 13 27.0400 . . 1 . . . . 65 ARG CG . 16608 1 703 . 1 1 65 65 ARG N N 15 118.0200 . . 1 . . . . 65 ARG N . 16608 1 704 . 1 1 66 66 GLY H H 1 8.18500 . . 1 . . . . 66 GLY HN . 16608 1 705 . 1 1 66 66 GLY HA2 H 1 3.9300 . . . . . . . 66 GLY HA# . 16608 1 706 . 1 1 66 66 GLY HA3 H 1 3.9300 . . . . . . . 66 GLY HA# . 16608 1 707 . 1 1 66 66 GLY CA C 13 45.1200 . . 1 . . . . 66 GLY CA . 16608 1 708 . 1 1 66 66 GLY N N 15 114.6200 . . 1 . . . . 66 GLY N . 16608 1 709 . 1 1 67 67 ILE H H 1 8.4300 . . 1 . . . . 67 ILE HN . 16608 1 710 . 1 1 67 67 ILE HA H 1 3.610 . . 1 . . . . 67 ILE HA . 16608 1 711 . 1 1 67 67 ILE HB H 1 1.920 . . 1 . . . . 67 ILE HB . 16608 1 712 . 1 1 67 67 ILE HD11 H 1 0.49500 . . . . . . . 67 ILE HD1# . 16608 1 713 . 1 1 67 67 ILE HD12 H 1 0.49500 . . . . . . . 67 ILE HD1# . 16608 1 714 . 1 1 67 67 ILE HD13 H 1 0.49500 . . . . . . . 67 ILE HD1# . 16608 1 715 . 1 1 67 67 ILE HG12 H 1 1.4100 . . . . . . . 67 ILE HG11 . 16608 1 716 . 1 1 67 67 ILE HG13 H 1 1.2000 . . 2 . . . . 67 ILE HG12 . 16608 1 717 . 1 1 67 67 ILE HG21 H 1 0.67500 . . . . . . . 67 ILE HG2# . 16608 1 718 . 1 1 67 67 ILE HG22 H 1 0.67500 . . . . . . . 67 ILE HG2# . 16608 1 719 . 1 1 67 67 ILE HG23 H 1 0.67500 . . . . . . . 67 ILE HG2# . 16608 1 720 . 1 1 67 67 ILE CA C 13 62.2300 . . 1 . . . . 67 ILE CA . 16608 1 721 . 1 1 67 67 ILE CB C 13 38.5500 . . 1 . . . . 67 ILE CB . 16608 1 722 . 1 1 67 67 ILE CD1 C 13 14.1200 . . 1 . . . . 67 ILE CD1 . 16608 1 723 . 1 1 67 67 ILE CG1 C 13 27.1000 . . 1 . . . . 67 ILE CG1 . 16608 1 724 . 1 1 67 67 ILE CG2 C 13 17.3900 . . 1 . . . . 67 ILE CG2 . 16608 1 725 . 1 1 67 67 ILE N N 15 124.0400 . . 1 . . . . 67 ILE N . 16608 1 726 . 1 1 68 68 VAL H H 1 8.0700 . . 1 . . . . 68 VAL HN . 16608 1 727 . 1 1 68 68 VAL HA H 1 3.8600 . . 1 . . . . 68 VAL HA . 16608 1 728 . 1 1 68 68 VAL HB H 1 2.0460 . . 1 . . . . 68 VAL HB . 16608 1 729 . 1 1 68 68 VAL HG11 H 1 0.8000 . . . . . . . 68 VAL HG1# . 16608 1 730 . 1 1 68 68 VAL HG12 H 1 0.8000 . . . . . . . 68 VAL HG1# . 16608 1 731 . 1 1 68 68 VAL HG13 H 1 0.8000 . . . . . . . 68 VAL HG1# . 16608 1 732 . 1 1 68 68 VAL HG21 H 1 0.9000 . . . . . . . 68 VAL HG2# . 16608 1 733 . 1 1 68 68 VAL HG22 H 1 0.9000 . . . . . . . 68 VAL HG2# . 16608 1 734 . 1 1 68 68 VAL HG23 H 1 0.9000 . . . . . . . 68 VAL HG2# . 16608 1 735 . 1 1 68 68 VAL CA C 13 62.6800 . . 1 . . . . 68 VAL CA . 16608 1 736 . 1 1 68 68 VAL CB C 13 31.6700 . . 1 . . . . 68 VAL CB . 16608 1 737 . 1 1 68 68 VAL CG1 C 13 21.2000 . . 2 . . . . 68 VAL CG1 . 16608 1 738 . 1 1 68 68 VAL CG2 C 13 22.9000 . . 2 . . . . 68 VAL CG2 . 16608 1 739 . 1 1 68 68 VAL N N 15 123.7000 . . 1 . . . . 68 VAL N . 16608 1 740 . 1 1 69 69 GLU H H 1 8.1400 . . 1 . . . . 69 GLU HN . 16608 1 741 . 1 1 69 69 GLU HA H 1 4.1100 . . 1 . . . . 69 GLU HA . 16608 1 742 . 1 1 69 69 GLU HB2 H 1 1.7300 . . . . . . . 69 GLU HB# . 16608 1 743 . 1 1 69 69 GLU HB3 H 1 1.7300 . . . . . . . 69 GLU HB# . 16608 1 744 . 1 1 69 69 GLU HG2 H 1 2.3700 . . . . . . . 69 GLU HG1 . 16608 1 745 . 1 1 69 69 GLU HG3 H 1 2.2000 . . 2 . . . . 69 GLU HG2 . 16608 1 746 . 1 1 69 69 GLU CA C 13 57.4000 . . 1 . . . . 69 GLU CA . 16608 1 747 . 1 1 69 69 GLU CB C 13 32.020 . . 1 . . . . 69 GLU CB . 16608 1 748 . 1 1 69 69 GLU CG C 13 36.9300 . . 1 . . . . 69 GLU CG . 16608 1 749 . 1 1 69 69 GLU N N 15 123.1600 . . 1 . . . . 69 GLU N . 16608 1 750 . 1 1 70 70 GLN H H 1 8.4900 . . 1 . . . . 70 GLN HN . 16608 1 751 . 1 1 70 70 GLN HA H 1 4.2900 . . 1 . . . . 70 GLN HA . 16608 1 752 . 1 1 70 70 GLN HB2 H 1 1.7100 . . . . . . . 70 GLN HB1 . 16608 1 753 . 1 1 70 70 GLN HB3 H 1 1.7900 . . 2 . . . . 70 GLN HB2 . 16608 1 754 . 1 1 70 70 GLN HE21 H 1 7.5300 . . 2 . . . . 70 GLN HE21 . 16608 1 755 . 1 1 70 70 GLN HE22 H 1 6.8700 . . 2 . . . . 70 GLN HE22 . 16608 1 756 . 1 1 70 70 GLN HG2 H 1 2.4000 . . . . . . . 70 GLN HG1 . 16608 1 757 . 1 1 70 70 GLN HG3 H 1 2.2900 . . 2 . . . . 70 GLN HG2 . 16608 1 758 . 1 1 70 70 GLN CA C 13 55.7100 . . 1 . . . . 70 GLN CA . 16608 1 759 . 1 1 70 70 GLN CB C 13 31.0900 . . 1 . . . . 70 GLN CB . 16608 1 760 . 1 1 70 70 GLN CG C 13 33.8000 . . 1 . . . . 70 GLN CG . 16608 1 761 . 1 1 70 70 GLN N N 15 111.5100 . . 1 . . . . 70 GLN N . 16608 1 762 . 1 1 70 70 GLN NE2 N 15 111.4400 . . 1 . . . . 70 GLN NE2 . 16608 1 763 . 1 1 71 71 CYS H H 1 8.3200 . . 1 . . . . 71 CYS HN . 16608 1 764 . 1 1 71 71 CYS HB2 H 1 2.6500 . . . . . . . 71 CYS HB1 . 16608 1 765 . 1 1 71 71 CYS HB3 H 1 2.7300 . . 2 . . . . 71 CYS HB2 . 16608 1 766 . 1 1 71 71 CYS CB C 13 38.6900 . . 1 . . . . 71 CYS CB . 16608 1 767 . 1 1 71 71 CYS N N 15 121.6300 . . 1 . . . . 71 CYS N . 16608 1 768 . 1 1 72 72 CYS HA H 1 4.7870 . . 1 . . . . 72 CYS HA . 16608 1 769 . 1 1 72 72 CYS HB2 H 1 3.2300 . . . . . . . 72 CYS HB1 . 16608 1 770 . 1 1 72 72 CYS HB3 H 1 3.6800 . . 2 . . . . 72 CYS HB2 . 16608 1 771 . 1 1 72 72 CYS CB C 13 39.1700 . . 1 . . . . 72 CYS CB . 16608 1 772 . 1 1 73 73 THR HA H 1 4.0400 . . 1 . . . . 73 THR HA . 16608 1 773 . 1 1 73 73 THR HB H 1 4.3500 . . 1 . . . . 73 THR HB . 16608 1 774 . 1 1 73 73 THR HG21 H 1 1.1800 . . . . . . . 73 THR HG2# . 16608 1 775 . 1 1 73 73 THR HG22 H 1 1.1800 . . . . . . . 73 THR HG2# . 16608 1 776 . 1 1 73 73 THR HG23 H 1 1.1800 . . . . . . . 73 THR HG2# . 16608 1 777 . 1 1 73 73 THR CA C 13 63.7300 . . 1 . . . . 73 THR CA . 16608 1 778 . 1 1 73 73 THR CB C 13 68.5900 . . 1 . . . . 73 THR CB . 16608 1 779 . 1 1 73 73 THR CG2 C 13 22.2500 . . 1 . . . . 73 THR CG2 . 16608 1 780 . 1 1 74 74 SER HA H 1 4.6900 . . 1 . . . . 74 SER HA . 16608 1 781 . 1 1 74 74 SER HB2 H 1 3.7900 . . . . . . . 74 SER HB1 . 16608 1 782 . 1 1 74 74 SER HB3 H 1 3.9300 . . 2 . . . . 74 SER HB2 . 16608 1 783 . 1 1 74 74 SER CA C 13 56.4200 . . 1 . . . . 74 SER CA . 16608 1 784 . 1 1 74 74 SER CB C 13 64.5500 . . 1 . . . . 74 SER CB . 16608 1 785 . 1 1 75 75 ILE H H 1 7.8400 . . 1 . . . . 75 ILE HN . 16608 1 786 . 1 1 75 75 ILE HA H 1 4.3000 . . 1 . . . . 75 ILE HA . 16608 1 787 . 1 1 75 75 ILE HB H 1 1.50 . . 1 . . . . 75 ILE HB . 16608 1 788 . 1 1 75 75 ILE HD11 H 1 0.4600 . . . . . . . 75 ILE HD1# . 16608 1 789 . 1 1 75 75 ILE HD12 H 1 0.4600 . . . . . . . 75 ILE HD1# . 16608 1 790 . 1 1 75 75 ILE HD13 H 1 0.4600 . . . . . . . 75 ILE HD1# . 16608 1 791 . 1 1 75 75 ILE HG12 H 1 1.0700 . . . . . . . 75 ILE HG11 . 16608 1 792 . 1 1 75 75 ILE HG13 H 1 0.3800 . . 2 . . . . 75 ILE HG12 . 16608 1 793 . 1 1 75 75 ILE HG21 H 1 0.570 . . . . . . . 75 ILE HG2# . 16608 1 794 . 1 1 75 75 ILE HG22 H 1 0.570 . . . . . . . 75 ILE HG2# . 16608 1 795 . 1 1 75 75 ILE HG23 H 1 0.570 . . . . . . . 75 ILE HG2# . 16608 1 796 . 1 1 75 75 ILE CA C 13 60.7200 . . 1 . . . . 75 ILE CA . 16608 1 797 . 1 1 75 75 ILE CB C 13 38.9400 . . 1 . . . . 75 ILE CB . 16608 1 798 . 1 1 75 75 ILE CD1 C 13 12.3800 . . 1 . . . . 75 ILE CD1 . 16608 1 799 . 1 1 75 75 ILE CG1 C 13 27.1100 . . 1 . . . . 75 ILE CG1 . 16608 1 800 . 1 1 75 75 ILE CG2 C 13 17.2400 . . 1 . . . . 75 ILE CG2 . 16608 1 801 . 1 1 75 75 ILE N N 15 117.6800 . . 1 . . . . 75 ILE N . 16608 1 802 . 1 1 76 76 CYS H H 1 10.0900 . . 1 . . . . 76 CYS HN . 16608 1 803 . 1 1 76 76 CYS HB2 H 1 3.1000 . . . . . . . 76 CYS HB1 . 16608 1 804 . 1 1 76 76 CYS CB C 13 37.8000 . . 1 . . . . 76 CYS CB . 16608 1 805 . 1 1 76 76 CYS N N 15 129.4200 . . 1 . . . . 76 CYS N . 16608 1 806 . 1 1 77 77 SER H H 1 8.6300 . . 1 . . . . 77 SER HN . 16608 1 807 . 1 1 77 77 SER HA H 1 4.5500 . . 1 . . . . 77 SER HA . 16608 1 808 . 1 1 77 77 SER HB2 H 1 3.9500 . . . . . . . 77 SER HB1 . 16608 1 809 . 1 1 77 77 SER HB3 H 1 4.1400 . . 2 . . . . 77 SER HB2 . 16608 1 810 . 1 1 77 77 SER CA C 13 56.5900 . . 1 . . . . 77 SER CA . 16608 1 811 . 1 1 77 77 SER CB C 13 65.6800 . . 1 . . . . 77 SER CB . 16608 1 812 . 1 1 78 78 LEU H H 1 8.67000 . . 1 . . . . 78 LEU HN . 16608 1 813 . 1 1 78 78 LEU HA H 1 3.80700 . . 1 . . . . 78 LEU HA . 16608 1 814 . 1 1 78 78 LEU HB2 H 1 1.330 . . . . . . . 78 LEU HB1 . 16608 1 815 . 1 1 78 78 LEU HB3 H 1 1.4100 . . 2 . . . . 78 LEU HB2 . 16608 1 816 . 1 1 78 78 LEU HD11 H 1 0.8400 . . . . . . . 78 LEU HD1# . 16608 1 817 . 1 1 78 78 LEU HD12 H 1 0.8400 . . . . . . . 78 LEU HD1# . 16608 1 818 . 1 1 78 78 LEU HD13 H 1 0.8400 . . . . . . . 78 LEU HD1# . 16608 1 819 . 1 1 78 78 LEU HD21 H 1 0.720 . . . . . . . 78 LEU HD2# . 16608 1 820 . 1 1 78 78 LEU HD22 H 1 0.720 . . . . . . . 78 LEU HD2# . 16608 1 821 . 1 1 78 78 LEU HD23 H 1 0.720 . . . . . . . 78 LEU HD2# . 16608 1 822 . 1 1 78 78 LEU HG H 1 1.4600 . . 1 . . . . 78 LEU HG . 16608 1 823 . 1 1 78 78 LEU CA C 13 58.4900 . . 1 . . . . 78 LEU CA . 16608 1 824 . 1 1 78 78 LEU CB C 13 41.210 . . 1 . . . . 78 LEU CB . 16608 1 825 . 1 1 78 78 LEU CD1 C 13 24.4300 . . 2 . . . . 78 LEU CD1 . 16608 1 826 . 1 1 78 78 LEU CD2 C 13 24.6500 . . 2 . . . . 78 LEU CD2 . 16608 1 827 . 1 1 78 78 LEU CG C 13 26.9600 . . 1 . . . . 78 LEU CG . 16608 1 828 . 1 1 78 78 LEU N N 15 122.1400 . . 1 . . . . 78 LEU N . 16608 1 829 . 1 1 79 79 TYR H H 1 7.6300 . . 1 . . . . 79 TYR HN . 16608 1 830 . 1 1 79 79 TYR HA H 1 4.2400 . . 1 . . . . 79 TYR HA . 16608 1 831 . 1 1 79 79 TYR HB2 H 1 2.900 . . . . . . . 79 TYR HB1 . 16608 1 832 . 1 1 79 79 TYR HB3 H 1 2.9700 . . 2 . . . . 79 TYR HB2 . 16608 1 833 . 1 1 79 79 TYR HD1 H 1 7.0520 . . 3 . . . . 79 TYR HD1 . 16608 1 834 . 1 1 79 79 TYR HD2 H 1 7.0520 . . 3 . . . . 79 TYR HD2 . 16608 1 835 . 1 1 79 79 TYR HE1 H 1 6.7700 . . 3 . . . . 79 TYR HE1 . 16608 1 836 . 1 1 79 79 TYR HE2 H 1 6.7700 . . 3 . . . . 79 TYR HE2 . 16608 1 837 . 1 1 79 79 TYR CA C 13 60.0400 . . 1 . . . . 79 TYR CA . 16608 1 838 . 1 1 79 79 TYR CB C 13 37.7100 . . 1 . . . . 79 TYR CB . 16608 1 839 . 1 1 79 79 TYR CD1 C 13 132.9300 . . 3 . . . . 79 TYR CD1 . 16608 1 840 . 1 1 79 79 TYR CD2 C 13 132.9300 . . 3 . . . . 79 TYR CD2 . 16608 1 841 . 1 1 79 79 TYR CE1 C 13 118.5000 . . 3 . . . . 79 TYR CE1 . 16608 1 842 . 1 1 79 79 TYR CE2 C 13 118.5000 . . 3 . . . . 79 TYR CE2 . 16608 1 843 . 1 1 79 79 TYR N N 15 115.900 . . 1 . . . . 79 TYR N . 16608 1 844 . 1 1 80 80 GLN H H 1 7.4500 . . 1 . . . . 80 GLN HN . 16608 1 845 . 1 1 80 80 GLN HA H 1 3.850 . . 1 . . . . 80 GLN HA . 16608 1 846 . 1 1 80 80 GLN HB2 H 1 2.2900 . . . . . . . 80 GLN HB1 . 16608 1 847 . 1 1 80 80 GLN HB3 H 1 1.9600 . . 2 . . . . 80 GLN HB2 . 16608 1 848 . 1 1 80 80 GLN HE21 H 1 7.4500 . . 2 . . . . 80 GLN HE21 . 16608 1 849 . 1 1 80 80 GLN HE22 H 1 6.8500 . . 2 . . . . 80 GLN HE22 . 16608 1 850 . 1 1 80 80 GLN HG2 H 1 2.1600 . . . . . . . 80 GLN HG1 . 16608 1 851 . 1 1 80 80 GLN HG3 H 1 2.3400 . . 2 . . . . 80 GLN HG2 . 16608 1 852 . 1 1 80 80 GLN CA C 13 58.7300 . . 1 . . . . 80 GLN CA . 16608 1 853 . 1 1 80 80 GLN CB C 13 29.3200 . . 1 . . . . 80 GLN CB . 16608 1 854 . 1 1 80 80 GLN CG C 13 35.3200 . . 1 . . . . 80 GLN CG . 16608 1 855 . 1 1 80 80 GLN N N 15 118.300 . . 1 . . . . 80 GLN N . 16608 1 856 . 1 1 80 80 GLN NE2 N 15 110.9100 . . 1 . . . . 80 GLN NE2 . 16608 1 857 . 1 1 81 81 LEU H H 1 7.8500 . . 1 . . . . 81 LEU HN . 16608 1 858 . 1 1 81 81 LEU HA H 1 4.0500 . . 1 . . . . 81 LEU HA . 16608 1 859 . 1 1 81 81 LEU HB2 H 1 1.910 . . . . . . . 81 LEU HB1 . 16608 1 860 . 1 1 81 81 LEU HB3 H 1 1.3300 . . 2 . . . . 81 LEU HB2 . 16608 1 861 . 1 1 81 81 LEU HD21 H 1 0.700 . . . . . . . 81 LEU HD2# . 16608 1 862 . 1 1 81 81 LEU HD22 H 1 0.700 . . . . . . . 81 LEU HD2# . 16608 1 863 . 1 1 81 81 LEU HD23 H 1 0.700 . . . . . . . 81 LEU HD2# . 16608 1 864 . 1 1 81 81 LEU HG H 1 1.6700 . . 1 . . . . 81 LEU HG . 16608 1 865 . 1 1 81 81 LEU CA C 13 58.0400 . . 1 . . . . 81 LEU CA . 16608 1 866 . 1 1 81 81 LEU CB C 13 42.0900 . . 1 . . . . 81 LEU CB . 16608 1 867 . 1 1 81 81 LEU CD1 C 13 24.607500 . . 2 . . . . 81 LEU CD1 . 16608 1 868 . 1 1 81 81 LEU CD2 C 13 26.3900 . . 2 . . . . 81 LEU CD2 . 16608 1 869 . 1 1 81 81 LEU CG C 13 26.9600 . . 1 . . . . 81 LEU CG . 16608 1 870 . 1 1 81 81 LEU N N 15 119.4300 . . 1 . . . . 81 LEU N . 16608 1 871 . 1 1 82 82 GLU H H 1 8.0600 . . 1 . . . . 82 GLU HN . 16608 1 872 . 1 1 82 82 GLU HA H 1 4.100 . . 1 . . . . 82 GLU HA . 16608 1 873 . 1 1 82 82 GLU HB2 H 1 1.9100 . . . . . . . 82 GLU HB1 . 16608 1 874 . 1 1 82 82 GLU HB3 H 1 2.1200 . . 2 . . . . 82 GLU HB2 . 16608 1 875 . 1 1 82 82 GLU HG2 H 1 2.3000 . . . . . . . 82 GLU HG1 . 16608 1 876 . 1 1 82 82 GLU HG3 H 1 2.1200 . . 2 . . . . 82 GLU HG2 . 16608 1 877 . 1 1 82 82 GLU CA C 13 58.2300 . . 1 . . . . 82 GLU CA . 16608 1 878 . 1 1 82 82 GLU CB C 13 29.4100 . . 1 . . . . 82 GLU CB . 16608 1 879 . 1 1 82 82 GLU CG C 13 37.2000 . . 1 . . . . 82 GLU CG . 16608 1 880 . 1 1 82 82 GLU N N 15 116.0100 . . 1 . . . . 82 GLU N . 16608 1 881 . 1 1 83 83 ASN H H 1 7.2800 . . 1 . . . . 83 ASN HN . 16608 1 882 . 1 1 83 83 ASN HA H 1 4.3800 . . 1 . . . . 83 ASN HA . 16608 1 883 . 1 1 83 83 ASN HB2 H 1 2.4700 . . . . . . . 83 ASN HB1 . 16608 1 884 . 1 1 83 83 ASN HB3 H 1 2.5600 . . 2 . . . . 83 ASN HB2 . 16608 1 885 . 1 1 83 83 ASN HD21 H 1 7.7400 . . 2 . . . . 83 ASN HD21 . 16608 1 886 . 1 1 83 83 ASN HD22 H 1 7.1900 . . 2 . . . . 83 ASN HD22 . 16608 1 887 . 1 1 83 83 ASN CA C 13 55.0400 . . 1 . . . . 83 ASN CA . 16608 1 888 . 1 1 83 83 ASN CB C 13 38.9400 . . 1 . . . . 83 ASN CB . 16608 1 889 . 1 1 83 83 ASN N N 15 116.1300 . . 1 . . . . 83 ASN N . 16608 1 890 . 1 1 83 83 ASN ND2 N 15 112.9600 . . 1 . . . . 83 ASN ND2 . 16608 1 891 . 1 1 84 84 TYR H H 1 7.91500 . . 1 . . . . 84 TYR HN . 16608 1 892 . 1 1 84 84 TYR HA H 1 4.30 . . 1 . . . . 84 TYR HA . 16608 1 893 . 1 1 84 84 TYR HB2 H 1 3.2800 . . . . . . . 84 TYR HB1 . 16608 1 894 . 1 1 84 84 TYR HB3 H 1 2.8400 . . 2 . . . . 84 TYR HB2 . 16608 1 895 . 1 1 84 84 TYR HD1 H 1 7.2300 . . 3 . . . . 84 TYR HD1 . 16608 1 896 . 1 1 84 84 TYR HD2 H 1 7.2300 . . 3 . . . . 84 TYR HD2 . 16608 1 897 . 1 1 84 84 TYR HE1 H 1 6.7300 . . 3 . . . . 84 TYR HE1 . 16608 1 898 . 1 1 84 84 TYR HE2 H 1 6.7300 . . 3 . . . . 84 TYR HE2 . 16608 1 899 . 1 1 84 84 TYR CA C 13 59.120 . . 1 . . . . 84 TYR CA . 16608 1 900 . 1 1 84 84 TYR CB C 13 38.1100 . . 1 . . . . 84 TYR CB . 16608 1 901 . 1 1 84 84 TYR CD1 C 13 133.6600 . . 3 . . . . 84 TYR CD1 . 16608 1 902 . 1 1 84 84 TYR CD2 C 13 133.6600 . . 3 . . . . 84 TYR CD2 . 16608 1 903 . 1 1 84 84 TYR CE1 C 13 117.8200 . . 3 . . . . 84 TYR CE1 . 16608 1 904 . 1 1 84 84 TYR CE2 C 13 117.8200 . . 3 . . . . 84 TYR CE2 . 16608 1 905 . 1 1 84 84 TYR N N 15 117.2900 . . 1 . . . . 84 TYR N . 16608 1 906 . 1 1 85 85 CYS H H 1 7.32800 . . 1 . . . . 85 CYS HN . 16608 1 907 . 1 1 85 85 CYS HA H 1 5.0700 . . 1 . . . . 85 CYS HA . 16608 1 908 . 1 1 85 85 CYS HB2 H 1 2.7600 . . . . . . . 85 CYS HB1 . 16608 1 909 . 1 1 85 85 CYS HB3 H 1 3.2200 . . 2 . . . . 85 CYS HB2 . 16608 1 910 . 1 1 85 85 CYS CA C 13 53.4400 . . 1 . . . . 85 CYS CA . 16608 1 911 . 1 1 85 85 CYS CB C 13 35.6400 . . 1 . . . . 85 CYS CB . 16608 1 912 . 1 1 85 85 CYS N N 15 115.900 . . 1 . . . . 85 CYS N . 16608 1 913 . 1 1 86 86 ASN H H 1 8.0300 . . 1 . . . . 86 ASN HN . 16608 1 914 . 1 1 86 86 ASN HA H 1 4.4400 . . 1 . . . . 86 ASN HA . 16608 1 915 . 1 1 86 86 ASN HB2 H 1 2.7000 . . . . . . . 86 ASN HB1 . 16608 1 916 . 1 1 86 86 ASN HB3 H 1 2.5600 . . 2 . . . . 86 ASN HB2 . 16608 1 917 . 1 1 86 86 ASN HD21 H 1 7.7400 . . 2 . . . . 86 ASN HD21 . 16608 1 918 . 1 1 86 86 ASN HD22 H 1 7.1900 . . 2 . . . . 86 ASN HD22 . 16608 1 919 . 1 1 86 86 ASN CA C 13 55.6100 . . 1 . . . . 86 ASN CA . 16608 1 920 . 1 1 86 86 ASN CB C 13 39.2200 . . 1 . . . . 86 ASN CB . 16608 1 921 . 1 1 86 86 ASN N N 15 125.1700 . . 1 . . . . 86 ASN N . 16608 1 922 . 1 1 86 86 ASN ND2 N 15 112.9600 . . 1 . . . . 86 ASN ND2 . 16608 1 stop_ save_