data_10292 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10292 _Entry.Title ; Solution structure of the third homeobox domain of Zinc fingers and homeoboxes protein 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-17 _Entry.Accession_date 2008-12-18 _Entry.Last_release_date 2009-12-17 _Entry.Original_release_date 2009-12-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 S. Ohnishi . . . 10292 2 A. Sasagawa . . . 10292 3 K. Saito . . . 10292 4 S. Koshiba . . . 10292 5 M. Inoue . . . 10292 6 T. Kigawa . . . 10292 7 S. Yokoyama . . . 10292 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 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10292 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10292 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 354 10292 '15N chemical shifts' 78 10292 '1H chemical shifts' 506 10292 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-12-17 2008-12-17 original author . 10292 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DMP 'BMRB Entry Tracking System' 10292 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10292 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the third homeobox domain of Zinc fingers and homeoboxes protein 2 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Ohnishi . . . 10292 1 2 A. Sasagawa . . . 10292 1 3 K. Saito . . . 10292 1 4 S. Koshiba . . . 10292 1 5 M. Inoue . . . 10292 1 6 T. Kigawa . . . 10292 1 7 S. Yokoyama . . . 10292 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10292 _Assembly.ID 1 _Assembly.Name 'Zinc fingers and homeoboxes protein 2' _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 'homeobox domain' 1 $entity_1 . . yes native no no . . . 10292 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2DMP . . . . . . 10292 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10292 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'homeobox domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGAYPDFAPQKFKEK TQGQVKILEDSFLKSSFPTQ AELDRLRVETKLSRREIDSW FSERRKLRDSMEQAVLDSMG SGKSGPSSG ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 2DMP . "Solution Structure Of The Third Homeobox Domain Of Zinc Fingers And Homeoboxes Protein 2" . . . . . 100.00 89 100.00 100.00 7.08e-55 . . . . 10292 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'homeobox domain' . 10292 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10292 1 2 . SER . 10292 1 3 . SER . 10292 1 4 . GLY . 10292 1 5 . SER . 10292 1 6 . SER . 10292 1 7 . GLY . 10292 1 8 . ALA . 10292 1 9 . TYR . 10292 1 10 . PRO . 10292 1 11 . ASP . 10292 1 12 . PHE . 10292 1 13 . ALA . 10292 1 14 . PRO . 10292 1 15 . GLN . 10292 1 16 . LYS . 10292 1 17 . PHE . 10292 1 18 . LYS . 10292 1 19 . GLU . 10292 1 20 . LYS . 10292 1 21 . THR . 10292 1 22 . GLN . 10292 1 23 . GLY . 10292 1 24 . GLN . 10292 1 25 . VAL . 10292 1 26 . LYS . 10292 1 27 . ILE . 10292 1 28 . LEU . 10292 1 29 . GLU . 10292 1 30 . ASP . 10292 1 31 . SER . 10292 1 32 . PHE . 10292 1 33 . LEU . 10292 1 34 . LYS . 10292 1 35 . SER . 10292 1 36 . SER . 10292 1 37 . PHE . 10292 1 38 . PRO . 10292 1 39 . THR . 10292 1 40 . GLN . 10292 1 41 . ALA . 10292 1 42 . GLU . 10292 1 43 . LEU . 10292 1 44 . ASP . 10292 1 45 . ARG . 10292 1 46 . LEU . 10292 1 47 . ARG . 10292 1 48 . VAL . 10292 1 49 . GLU . 10292 1 50 . THR . 10292 1 51 . LYS . 10292 1 52 . LEU . 10292 1 53 . SER . 10292 1 54 . ARG . 10292 1 55 . ARG . 10292 1 56 . GLU . 10292 1 57 . ILE . 10292 1 58 . ASP . 10292 1 59 . SER . 10292 1 60 . TRP . 10292 1 61 . PHE . 10292 1 62 . SER . 10292 1 63 . GLU . 10292 1 64 . ARG . 10292 1 65 . ARG . 10292 1 66 . LYS . 10292 1 67 . LEU . 10292 1 68 . ARG . 10292 1 69 . ASP . 10292 1 70 . SER . 10292 1 71 . MET . 10292 1 72 . GLU . 10292 1 73 . GLN . 10292 1 74 . ALA . 10292 1 75 . VAL . 10292 1 76 . LEU . 10292 1 77 . ASP . 10292 1 78 . SER . 10292 1 79 . MET . 10292 1 80 . GLY . 10292 1 81 . SER . 10292 1 82 . GLY . 10292 1 83 . LYS . 10292 1 84 . SER . 10292 1 85 . GLY . 10292 1 86 . PRO . 10292 1 87 . SER . 10292 1 88 . SER . 10292 1 89 . GLY . 10292 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10292 1 . SER 2 2 10292 1 . SER 3 3 10292 1 . GLY 4 4 10292 1 . SER 5 5 10292 1 . SER 6 6 10292 1 . GLY 7 7 10292 1 . ALA 8 8 10292 1 . TYR 9 9 10292 1 . PRO 10 10 10292 1 . ASP 11 11 10292 1 . PHE 12 12 10292 1 . ALA 13 13 10292 1 . PRO 14 14 10292 1 . GLN 15 15 10292 1 . LYS 16 16 10292 1 . PHE 17 17 10292 1 . LYS 18 18 10292 1 . GLU 19 19 10292 1 . LYS 20 20 10292 1 . THR 21 21 10292 1 . GLN 22 22 10292 1 . GLY 23 23 10292 1 . GLN 24 24 10292 1 . VAL 25 25 10292 1 . LYS 26 26 10292 1 . ILE 27 27 10292 1 . LEU 28 28 10292 1 . GLU 29 29 10292 1 . ASP 30 30 10292 1 . SER 31 31 10292 1 . PHE 32 32 10292 1 . LEU 33 33 10292 1 . LYS 34 34 10292 1 . SER 35 35 10292 1 . SER 36 36 10292 1 . PHE 37 37 10292 1 . PRO 38 38 10292 1 . THR 39 39 10292 1 . GLN 40 40 10292 1 . ALA 41 41 10292 1 . GLU 42 42 10292 1 . LEU 43 43 10292 1 . ASP 44 44 10292 1 . ARG 45 45 10292 1 . LEU 46 46 10292 1 . ARG 47 47 10292 1 . VAL 48 48 10292 1 . GLU 49 49 10292 1 . THR 50 50 10292 1 . LYS 51 51 10292 1 . LEU 52 52 10292 1 . SER 53 53 10292 1 . ARG 54 54 10292 1 . ARG 55 55 10292 1 . GLU 56 56 10292 1 . ILE 57 57 10292 1 . ASP 58 58 10292 1 . SER 59 59 10292 1 . TRP 60 60 10292 1 . PHE 61 61 10292 1 . SER 62 62 10292 1 . GLU 63 63 10292 1 . ARG 64 64 10292 1 . ARG 65 65 10292 1 . LYS 66 66 10292 1 . LEU 67 67 10292 1 . ARG 68 68 10292 1 . ASP 69 69 10292 1 . SER 70 70 10292 1 . MET 71 71 10292 1 . GLU 72 72 10292 1 . GLN 73 73 10292 1 . ALA 74 74 10292 1 . VAL 75 75 10292 1 . LEU 76 76 10292 1 . ASP 77 77 10292 1 . SER 78 78 10292 1 . MET 79 79 10292 1 . GLY 80 80 10292 1 . SER 81 81 10292 1 . GLY 82 82 10292 1 . LYS 83 83 10292 1 . SER 84 84 10292 1 . GLY 85 85 10292 1 . PRO 86 86 10292 1 . SER 87 87 10292 1 . SER 88 88 10292 1 . GLY 89 89 10292 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 10292 _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_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10292 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 10292 _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_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P050404-24 . . . . . . 10292 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10292 _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 'homeobox domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.2 . . mM . . . . 10292 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10292 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10292 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10292 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10292 1 6 H2O . . . . . . solvent 90 . . % . . . . 10292 1 7 D2O . . . . . . solvent 10 . . % . . . . 10292 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10292 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 10292 1 pH 7.0 0.05 pH 10292 1 pressure 1 0.001 atm 10292 1 temperature 298 0.1 K 10292 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10292 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10292 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10292 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10292 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10292 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10292 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10292 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10292 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10292 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10292 _Software.ID 4 _Software.Name Kujira _Software.Version 0.965 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10292 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10292 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10292 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10292 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10292 5 'structure solution' 10292 5 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 10292 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10292 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10292 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 10292 _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 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10292 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10292 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10292 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 10292 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10292 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10292 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10292 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10292 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10292 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 7 7 GLY HA2 H 1 3.940 0.030 . 1 . . . . 7 GLY HA2 . 10292 1 2 . 1 1 7 7 GLY HA3 H 1 3.940 0.030 . 1 . . . . 7 GLY HA3 . 10292 1 3 . 1 1 7 7 GLY C C 13 173.532 0.300 . 1 . . . . 7 GLY C . 10292 1 4 . 1 1 7 7 GLY CA C 13 45.255 0.300 . 1 . . . . 7 GLY CA . 10292 1 5 . 1 1 8 8 ALA H H 1 8.010 0.030 . 1 . . . . 8 ALA H . 10292 1 6 . 1 1 8 8 ALA HA H 1 4.259 0.030 . 1 . . . . 8 ALA HA . 10292 1 7 . 1 1 8 8 ALA HB1 H 1 1.247 0.030 . 1 . . . . 8 ALA HB . 10292 1 8 . 1 1 8 8 ALA HB2 H 1 1.247 0.030 . 1 . . . . 8 ALA HB . 10292 1 9 . 1 1 8 8 ALA HB3 H 1 1.247 0.030 . 1 . . . . 8 ALA HB . 10292 1 10 . 1 1 8 8 ALA C C 13 176.987 0.300 . 1 . . . . 8 ALA C . 10292 1 11 . 1 1 8 8 ALA CA C 13 52.334 0.300 . 1 . . . . 8 ALA CA . 10292 1 12 . 1 1 8 8 ALA CB C 13 19.389 0.300 . 1 . . . . 8 ALA CB . 10292 1 13 . 1 1 8 8 ALA N N 15 123.317 0.300 . 1 . . . . 8 ALA N . 10292 1 14 . 1 1 9 9 TYR H H 1 8.110 0.030 . 1 . . . . 9 TYR H . 10292 1 15 . 1 1 9 9 TYR HA H 1 4.832 0.030 . 1 . . . . 9 TYR HA . 10292 1 16 . 1 1 9 9 TYR HB2 H 1 2.866 0.030 . 2 . . . . 9 TYR HB2 . 10292 1 17 . 1 1 9 9 TYR HB3 H 1 3.098 0.030 . 2 . . . . 9 TYR HB3 . 10292 1 18 . 1 1 9 9 TYR HD1 H 1 7.175 0.030 . 1 . . . . 9 TYR HD1 . 10292 1 19 . 1 1 9 9 TYR HD2 H 1 7.175 0.030 . 1 . . . . 9 TYR HD2 . 10292 1 20 . 1 1 9 9 TYR HE1 H 1 6.851 0.030 . 1 . . . . 9 TYR HE1 . 10292 1 21 . 1 1 9 9 TYR HE2 H 1 6.851 0.030 . 1 . . . . 9 TYR HE2 . 10292 1 22 . 1 1 9 9 TYR C C 13 174.112 0.300 . 1 . . . . 9 TYR C . 10292 1 23 . 1 1 9 9 TYR CA C 13 55.642 0.300 . 1 . . . . 9 TYR CA . 10292 1 24 . 1 1 9 9 TYR CB C 13 38.292 0.300 . 1 . . . . 9 TYR CB . 10292 1 25 . 1 1 9 9 TYR CD1 C 13 133.560 0.300 . 1 . . . . 9 TYR CD1 . 10292 1 26 . 1 1 9 9 TYR CD2 C 13 133.560 0.300 . 1 . . . . 9 TYR CD2 . 10292 1 27 . 1 1 9 9 TYR CE1 C 13 118.258 0.300 . 1 . . . . 9 TYR CE1 . 10292 1 28 . 1 1 9 9 TYR CE2 C 13 118.258 0.300 . 1 . . . . 9 TYR CE2 . 10292 1 29 . 1 1 9 9 TYR N N 15 120.065 0.300 . 1 . . . . 9 TYR N . 10292 1 30 . 1 1 10 10 PRO HA H 1 4.377 0.030 . 1 . . . . 10 PRO HA . 10292 1 31 . 1 1 10 10 PRO HB2 H 1 2.187 0.030 . 2 . . . . 10 PRO HB2 . 10292 1 32 . 1 1 10 10 PRO HB3 H 1 1.746 0.030 . 2 . . . . 10 PRO HB3 . 10292 1 33 . 1 1 10 10 PRO HD2 H 1 3.537 0.030 . 2 . . . . 10 PRO HD2 . 10292 1 34 . 1 1 10 10 PRO HD3 H 1 3.740 0.030 . 2 . . . . 10 PRO HD3 . 10292 1 35 . 1 1 10 10 PRO HG2 H 1 1.955 0.030 . 2 . . . . 10 PRO HG2 . 10292 1 36 . 1 1 10 10 PRO C C 13 176.388 0.300 . 1 . . . . 10 PRO C . 10292 1 37 . 1 1 10 10 PRO CA C 13 63.332 0.300 . 1 . . . . 10 PRO CA . 10292 1 38 . 1 1 10 10 PRO CB C 13 31.985 0.300 . 1 . . . . 10 PRO CB . 10292 1 39 . 1 1 10 10 PRO CD C 13 50.596 0.300 . 1 . . . . 10 PRO CD . 10292 1 40 . 1 1 10 10 PRO CG C 13 27.343 0.300 . 1 . . . . 10 PRO CG . 10292 1 41 . 1 1 11 11 ASP H H 1 8.249 0.030 . 1 . . . . 11 ASP H . 10292 1 42 . 1 1 11 11 ASP HA H 1 4.537 0.030 . 1 . . . . 11 ASP HA . 10292 1 43 . 1 1 11 11 ASP HB2 H 1 2.557 0.030 . 2 . . . . 11 ASP HB2 . 10292 1 44 . 1 1 11 11 ASP HB3 H 1 2.634 0.030 . 2 . . . . 11 ASP HB3 . 10292 1 45 . 1 1 11 11 ASP C C 13 175.893 0.300 . 1 . . . . 11 ASP C . 10292 1 46 . 1 1 11 11 ASP CA C 13 54.410 0.300 . 1 . . . . 11 ASP CA . 10292 1 47 . 1 1 11 11 ASP CB C 13 41.149 0.300 . 1 . . . . 11 ASP CB . 10292 1 48 . 1 1 11 11 ASP N N 15 119.884 0.300 . 1 . . . . 11 ASP N . 10292 1 49 . 1 1 12 12 PHE H H 1 8.028 0.030 . 1 . . . . 12 PHE H . 10292 1 50 . 1 1 12 12 PHE HA H 1 4.616 0.030 . 1 . . . . 12 PHE HA . 10292 1 51 . 1 1 12 12 PHE HB2 H 1 3.145 0.030 . 2 . . . . 12 PHE HB2 . 10292 1 52 . 1 1 12 12 PHE HB3 H 1 3.055 0.030 . 2 . . . . 12 PHE HB3 . 10292 1 53 . 1 1 12 12 PHE HD1 H 1 7.259 0.030 . 1 . . . . 12 PHE HD1 . 10292 1 54 . 1 1 12 12 PHE HD2 H 1 7.259 0.030 . 1 . . . . 12 PHE HD2 . 10292 1 55 . 1 1 12 12 PHE C C 13 175.001 0.300 . 1 . . . . 12 PHE C . 10292 1 56 . 1 1 12 12 PHE CA C 13 57.417 0.300 . 1 . . . . 12 PHE CA . 10292 1 57 . 1 1 12 12 PHE CB C 13 39.577 0.300 . 1 . . . . 12 PHE CB . 10292 1 58 . 1 1 12 12 PHE CD1 C 13 131.911 0.300 . 1 . . . . 12 PHE CD1 . 10292 1 59 . 1 1 12 12 PHE CD2 C 13 131.911 0.300 . 1 . . . . 12 PHE CD2 . 10292 1 60 . 1 1 12 12 PHE N N 15 119.972 0.300 . 1 . . . . 12 PHE N . 10292 1 61 . 1 1 13 13 ALA H H 1 8.118 0.030 . 1 . . . . 13 ALA H . 10292 1 62 . 1 1 13 13 ALA HA H 1 4.570 0.030 . 1 . . . . 13 ALA HA . 10292 1 63 . 1 1 13 13 ALA HB1 H 1 1.312 0.030 . 1 . . . . 13 ALA HB . 10292 1 64 . 1 1 13 13 ALA HB2 H 1 1.312 0.030 . 1 . . . . 13 ALA HB . 10292 1 65 . 1 1 13 13 ALA HB3 H 1 1.312 0.030 . 1 . . . . 13 ALA HB . 10292 1 66 . 1 1 13 13 ALA C C 13 175.002 0.300 . 1 . . . . 13 ALA C . 10292 1 67 . 1 1 13 13 ALA CA C 13 50.500 0.300 . 1 . . . . 13 ALA CA . 10292 1 68 . 1 1 13 13 ALA CB C 13 18.532 0.300 . 1 . . . . 13 ALA CB . 10292 1 69 . 1 1 13 13 ALA N N 15 126.968 0.300 . 1 . . . . 13 ALA N . 10292 1 70 . 1 1 14 14 PRO HA H 1 4.349 0.030 . 1 . . . . 14 PRO HA . 10292 1 71 . 1 1 14 14 PRO HB2 H 1 1.879 0.030 . 2 . . . . 14 PRO HB2 . 10292 1 72 . 1 1 14 14 PRO HB3 H 1 2.287 0.030 . 2 . . . . 14 PRO HB3 . 10292 1 73 . 1 1 14 14 PRO HD2 H 1 3.599 0.030 . 2 . . . . 14 PRO HD2 . 10292 1 74 . 1 1 14 14 PRO HD3 H 1 3.643 0.030 . 2 . . . . 14 PRO HD3 . 10292 1 75 . 1 1 14 14 PRO HG2 H 1 2.000 0.030 . 2 . . . . 14 PRO HG2 . 10292 1 76 . 1 1 14 14 PRO C C 13 177.054 0.300 . 1 . . . . 14 PRO C . 10292 1 77 . 1 1 14 14 PRO CA C 13 63.380 0.300 . 1 . . . . 14 PRO CA . 10292 1 78 . 1 1 14 14 PRO CB C 13 31.960 0.300 . 1 . . . . 14 PRO CB . 10292 1 79 . 1 1 14 14 PRO CD C 13 50.471 0.300 . 1 . . . . 14 PRO CD . 10292 1 80 . 1 1 14 14 PRO CG C 13 27.374 0.300 . 1 . . . . 14 PRO CG . 10292 1 81 . 1 1 15 15 GLN H H 1 8.411 0.030 . 1 . . . . 15 GLN H . 10292 1 82 . 1 1 15 15 GLN HA H 1 4.221 0.030 . 1 . . . . 15 GLN HA . 10292 1 83 . 1 1 15 15 GLN HB2 H 1 1.923 0.030 . 1 . . . . 15 GLN HB2 . 10292 1 84 . 1 1 15 15 GLN HB3 H 1 1.923 0.030 . 1 . . . . 15 GLN HB3 . 10292 1 85 . 1 1 15 15 GLN HE21 H 1 7.544 0.030 . 2 . . . . 15 GLN HE21 . 10292 1 86 . 1 1 15 15 GLN HE22 H 1 6.881 0.030 . 2 . . . . 15 GLN HE22 . 10292 1 87 . 1 1 15 15 GLN HG2 H 1 2.310 0.030 . 2 . . . . 15 GLN HG2 . 10292 1 88 . 1 1 15 15 GLN C C 13 175.815 0.300 . 1 . . . . 15 GLN C . 10292 1 89 . 1 1 15 15 GLN CA C 13 55.929 0.300 . 1 . . . . 15 GLN CA . 10292 1 90 . 1 1 15 15 GLN CB C 13 29.270 0.300 . 1 . . . . 15 GLN CB . 10292 1 91 . 1 1 15 15 GLN CG C 13 33.846 0.300 . 1 . . . . 15 GLN CG . 10292 1 92 . 1 1 15 15 GLN N N 15 120.172 0.300 . 1 . . . . 15 GLN N . 10292 1 93 . 1 1 15 15 GLN NE2 N 15 112.725 0.300 . 1 . . . . 15 GLN NE2 . 10292 1 94 . 1 1 16 16 LYS H H 1 8.171 0.030 . 1 . . . . 16 LYS H . 10292 1 95 . 1 1 16 16 LYS HA H 1 4.234 0.030 . 1 . . . . 16 LYS HA . 10292 1 96 . 1 1 16 16 LYS HB2 H 1 1.660 0.030 . 2 . . . . 16 LYS HB2 . 10292 1 97 . 1 1 16 16 LYS HB3 H 1 1.694 0.030 . 2 . . . . 16 LYS HB3 . 10292 1 98 . 1 1 16 16 LYS HD2 H 1 1.443 0.030 . 2 . . . . 16 LYS HD2 . 10292 1 99 . 1 1 16 16 LYS HE2 H 1 2.956 0.030 . 2 . . . . 16 LYS HE2 . 10292 1 100 . 1 1 16 16 LYS HG2 H 1 1.340 0.030 . 2 . . . . 16 LYS HG2 . 10292 1 101 . 1 1 16 16 LYS HG3 H 1 1.287 0.030 . 2 . . . . 16 LYS HG3 . 10292 1 102 . 1 1 16 16 LYS C C 13 176.196 0.300 . 1 . . . . 16 LYS C . 10292 1 103 . 1 1 16 16 LYS CA C 13 56.236 0.300 . 1 . . . . 16 LYS CA . 10292 1 104 . 1 1 16 16 LYS CB C 13 33.171 0.300 . 1 . . . . 16 LYS CB . 10292 1 105 . 1 1 16 16 LYS CD C 13 29.223 0.300 . 1 . . . . 16 LYS CD . 10292 1 106 . 1 1 16 16 LYS CE C 13 42.132 0.300 . 1 . . . . 16 LYS CE . 10292 1 107 . 1 1 16 16 LYS CG C 13 24.676 0.300 . 1 . . . . 16 LYS CG . 10292 1 108 . 1 1 16 16 LYS N N 15 122.238 0.300 . 1 . . . . 16 LYS N . 10292 1 109 . 1 1 17 17 PHE H H 1 8.257 0.030 . 1 . . . . 17 PHE H . 10292 1 110 . 1 1 17 17 PHE HA H 1 4.715 0.030 . 1 . . . . 17 PHE HA . 10292 1 111 . 1 1 17 17 PHE HB2 H 1 2.995 0.030 . 2 . . . . 17 PHE HB2 . 10292 1 112 . 1 1 17 17 PHE HB3 H 1 3.268 0.030 . 2 . . . . 17 PHE HB3 . 10292 1 113 . 1 1 17 17 PHE HD1 H 1 7.301 0.030 . 1 . . . . 17 PHE HD1 . 10292 1 114 . 1 1 17 17 PHE HD2 H 1 7.301 0.030 . 1 . . . . 17 PHE HD2 . 10292 1 115 . 1 1 17 17 PHE HE1 H 1 7.356 0.030 . 1 . . . . 17 PHE HE1 . 10292 1 116 . 1 1 17 17 PHE HE2 H 1 7.356 0.030 . 1 . . . . 17 PHE HE2 . 10292 1 117 . 1 1 17 17 PHE C C 13 175.737 0.300 . 1 . . . . 17 PHE C . 10292 1 118 . 1 1 17 17 PHE CA C 13 57.341 0.300 . 1 . . . . 17 PHE CA . 10292 1 119 . 1 1 17 17 PHE CB C 13 39.776 0.300 . 1 . . . . 17 PHE CB . 10292 1 120 . 1 1 17 17 PHE CD1 C 13 131.945 0.300 . 1 . . . . 17 PHE CD1 . 10292 1 121 . 1 1 17 17 PHE CD2 C 13 131.945 0.300 . 1 . . . . 17 PHE CD2 . 10292 1 122 . 1 1 17 17 PHE CE1 C 13 131.681 0.300 . 1 . . . . 17 PHE CE1 . 10292 1 123 . 1 1 17 17 PHE CE2 C 13 131.681 0.300 . 1 . . . . 17 PHE CE2 . 10292 1 124 . 1 1 17 17 PHE N N 15 121.572 0.300 . 1 . . . . 17 PHE N . 10292 1 125 . 1 1 18 18 LYS H H 1 8.411 0.030 . 1 . . . . 18 LYS H . 10292 1 126 . 1 1 18 18 LYS HA H 1 4.285 0.030 . 1 . . . . 18 LYS HA . 10292 1 127 . 1 1 18 18 LYS HB2 H 1 1.795 0.030 . 2 . . . . 18 LYS HB2 . 10292 1 128 . 1 1 18 18 LYS HB3 H 1 1.844 0.030 . 2 . . . . 18 LYS HB3 . 10292 1 129 . 1 1 18 18 LYS HD2 H 1 1.735 0.030 . 2 . . . . 18 LYS HD2 . 10292 1 130 . 1 1 18 18 LYS HE2 H 1 3.032 0.030 . 2 . . . . 18 LYS HE2 . 10292 1 131 . 1 1 18 18 LYS HG2 H 1 1.458 0.030 . 2 . . . . 18 LYS HG2 . 10292 1 132 . 1 1 18 18 LYS C C 13 176.317 0.300 . 1 . . . . 18 LYS C . 10292 1 133 . 1 1 18 18 LYS CA C 13 56.146 0.300 . 1 . . . . 18 LYS CA . 10292 1 134 . 1 1 18 18 LYS CB C 13 33.269 0.300 . 1 . . . . 18 LYS CB . 10292 1 135 . 1 1 18 18 LYS CD C 13 29.179 0.300 . 1 . . . . 18 LYS CD . 10292 1 136 . 1 1 18 18 LYS CE C 13 42.211 0.300 . 1 . . . . 18 LYS CE . 10292 1 137 . 1 1 18 18 LYS CG C 13 24.696 0.300 . 1 . . . . 18 LYS CG . 10292 1 138 . 1 1 18 18 LYS N N 15 123.072 0.300 . 1 . . . . 18 LYS N . 10292 1 139 . 1 1 19 19 GLU H H 1 8.494 0.030 . 1 . . . . 19 GLU H . 10292 1 140 . 1 1 19 19 GLU HA H 1 4.243 0.030 . 1 . . . . 19 GLU HA . 10292 1 141 . 1 1 19 19 GLU HB2 H 1 1.972 0.030 . 2 . . . . 19 GLU HB2 . 10292 1 142 . 1 1 19 19 GLU HB3 H 1 2.070 0.030 . 2 . . . . 19 GLU HB3 . 10292 1 143 . 1 1 19 19 GLU HG2 H 1 2.354 0.030 . 2 . . . . 19 GLU HG2 . 10292 1 144 . 1 1 19 19 GLU C C 13 176.811 0.300 . 1 . . . . 19 GLU C . 10292 1 145 . 1 1 19 19 GLU CA C 13 56.916 0.300 . 1 . . . . 19 GLU CA . 10292 1 146 . 1 1 19 19 GLU CB C 13 30.158 0.300 . 1 . . . . 19 GLU CB . 10292 1 147 . 1 1 19 19 GLU CG C 13 36.306 0.300 . 1 . . . . 19 GLU CG . 10292 1 148 . 1 1 19 19 GLU N N 15 123.032 0.300 . 1 . . . . 19 GLU N . 10292 1 149 . 1 1 20 20 LYS H H 1 8.530 0.030 . 1 . . . . 20 LYS H . 10292 1 150 . 1 1 20 20 LYS HA H 1 4.560 0.030 . 1 . . . . 20 LYS HA . 10292 1 151 . 1 1 20 20 LYS HB2 H 1 1.855 0.030 . 2 . . . . 20 LYS HB2 . 10292 1 152 . 1 1 20 20 LYS HB3 H 1 1.654 0.030 . 2 . . . . 20 LYS HB3 . 10292 1 153 . 1 1 20 20 LYS HD2 H 1 1.592 0.030 . 2 . . . . 20 LYS HD2 . 10292 1 154 . 1 1 20 20 LYS HD3 H 1 1.437 0.030 . 2 . . . . 20 LYS HD3 . 10292 1 155 . 1 1 20 20 LYS HE2 H 1 2.772 0.030 . 2 . . . . 20 LYS HE2 . 10292 1 156 . 1 1 20 20 LYS HE3 H 1 2.951 0.030 . 2 . . . . 20 LYS HE3 . 10292 1 157 . 1 1 20 20 LYS HG2 H 1 1.370 0.030 . 2 . . . . 20 LYS HG2 . 10292 1 158 . 1 1 20 20 LYS HG3 H 1 1.648 0.030 . 2 . . . . 20 LYS HG3 . 10292 1 159 . 1 1 20 20 LYS C C 13 177.491 0.300 . 1 . . . . 20 LYS C . 10292 1 160 . 1 1 20 20 LYS CA C 13 56.105 0.300 . 1 . . . . 20 LYS CA . 10292 1 161 . 1 1 20 20 LYS CB C 13 34.248 0.300 . 1 . . . . 20 LYS CB . 10292 1 162 . 1 1 20 20 LYS CD C 13 29.259 0.300 . 1 . . . . 20 LYS CD . 10292 1 163 . 1 1 20 20 LYS CE C 13 41.426 0.300 . 1 . . . . 20 LYS CE . 10292 1 164 . 1 1 20 20 LYS CG C 13 25.333 0.300 . 1 . . . . 20 LYS CG . 10292 1 165 . 1 1 20 20 LYS N N 15 123.545 0.300 . 1 . . . . 20 LYS N . 10292 1 166 . 1 1 21 21 THR H H 1 8.868 0.030 . 1 . . . . 21 THR H . 10292 1 167 . 1 1 21 21 THR HA H 1 4.448 0.030 . 1 . . . . 21 THR HA . 10292 1 168 . 1 1 21 21 THR HB H 1 4.645 0.030 . 1 . . . . 21 THR HB . 10292 1 169 . 1 1 21 21 THR HG21 H 1 1.292 0.030 . 1 . . . . 21 THR HG2 . 10292 1 170 . 1 1 21 21 THR HG22 H 1 1.292 0.030 . 1 . . . . 21 THR HG2 . 10292 1 171 . 1 1 21 21 THR HG23 H 1 1.292 0.030 . 1 . . . . 21 THR HG2 . 10292 1 172 . 1 1 21 21 THR C C 13 175.491 0.300 . 1 . . . . 21 THR C . 10292 1 173 . 1 1 21 21 THR CA C 13 60.686 0.300 . 1 . . . . 21 THR CA . 10292 1 174 . 1 1 21 21 THR CB C 13 70.760 0.300 . 1 . . . . 21 THR CB . 10292 1 175 . 1 1 21 21 THR CG2 C 13 22.036 0.300 . 1 . . . . 21 THR CG2 . 10292 1 176 . 1 1 21 21 THR N N 15 113.437 0.300 . 1 . . . . 21 THR N . 10292 1 177 . 1 1 22 22 GLN H H 1 8.993 0.030 . 1 . . . . 22 GLN H . 10292 1 178 . 1 1 22 22 GLN HA H 1 4.055 0.030 . 1 . . . . 22 GLN HA . 10292 1 179 . 1 1 22 22 GLN HB2 H 1 2.101 0.030 . 1 . . . . 22 GLN HB2 . 10292 1 180 . 1 1 22 22 GLN HB3 H 1 2.101 0.030 . 1 . . . . 22 GLN HB3 . 10292 1 181 . 1 1 22 22 GLN HG2 H 1 2.516 0.030 . 2 . . . . 22 GLN HG2 . 10292 1 182 . 1 1 22 22 GLN HG3 H 1 2.441 0.030 . 2 . . . . 22 GLN HG3 . 10292 1 183 . 1 1 22 22 GLN C C 13 178.882 0.300 . 1 . . . . 22 GLN C . 10292 1 184 . 1 1 22 22 GLN CA C 13 58.899 0.300 . 1 . . . . 22 GLN CA . 10292 1 185 . 1 1 22 22 GLN CB C 13 28.366 0.300 . 1 . . . . 22 GLN CB . 10292 1 186 . 1 1 22 22 GLN CG C 13 34.077 0.300 . 1 . . . . 22 GLN CG . 10292 1 187 . 1 1 22 22 GLN N N 15 120.458 0.300 . 1 . . . . 22 GLN N . 10292 1 188 . 1 1 23 23 GLY H H 1 8.580 0.030 . 1 . . . . 23 GLY H . 10292 1 189 . 1 1 23 23 GLY HA2 H 1 3.843 0.030 . 1 . . . . 23 GLY HA2 . 10292 1 190 . 1 1 23 23 GLY HA3 H 1 3.843 0.030 . 1 . . . . 23 GLY HA3 . 10292 1 191 . 1 1 23 23 GLY C C 13 176.518 0.300 . 1 . . . . 23 GLY C . 10292 1 192 . 1 1 23 23 GLY CA C 13 46.750 0.300 . 1 . . . . 23 GLY CA . 10292 1 193 . 1 1 23 23 GLY N N 15 107.047 0.300 . 1 . . . . 23 GLY N . 10292 1 194 . 1 1 24 24 GLN H H 1 7.771 0.030 . 1 . . . . 24 GLN H . 10292 1 195 . 1 1 24 24 GLN HA H 1 3.844 0.030 . 1 . . . . 24 GLN HA . 10292 1 196 . 1 1 24 24 GLN HB2 H 1 1.514 0.030 . 2 . . . . 24 GLN HB2 . 10292 1 197 . 1 1 24 24 GLN HB3 H 1 2.509 0.030 . 2 . . . . 24 GLN HB3 . 10292 1 198 . 1 1 24 24 GLN HE21 H 1 7.886 0.030 . 2 . . . . 24 GLN HE21 . 10292 1 199 . 1 1 24 24 GLN HE22 H 1 6.728 0.030 . 2 . . . . 24 GLN HE22 . 10292 1 200 . 1 1 24 24 GLN HG2 H 1 2.297 0.030 . 2 . . . . 24 GLN HG2 . 10292 1 201 . 1 1 24 24 GLN HG3 H 1 2.634 0.030 . 2 . . . . 24 GLN HG3 . 10292 1 202 . 1 1 24 24 GLN C C 13 177.564 0.300 . 1 . . . . 24 GLN C . 10292 1 203 . 1 1 24 24 GLN CA C 13 59.397 0.300 . 1 . . . . 24 GLN CA . 10292 1 204 . 1 1 24 24 GLN CB C 13 29.250 0.300 . 1 . . . . 24 GLN CB . 10292 1 205 . 1 1 24 24 GLN CG C 13 35.067 0.300 . 1 . . . . 24 GLN CG . 10292 1 206 . 1 1 24 24 GLN N N 15 120.555 0.300 . 1 . . . . 24 GLN N . 10292 1 207 . 1 1 24 24 GLN NE2 N 15 111.603 0.300 . 1 . . . . 24 GLN NE2 . 10292 1 208 . 1 1 25 25 VAL H H 1 8.029 0.030 . 1 . . . . 25 VAL H . 10292 1 209 . 1 1 25 25 VAL HA H 1 3.163 0.030 . 1 . . . . 25 VAL HA . 10292 1 210 . 1 1 25 25 VAL HB H 1 2.030 0.030 . 1 . . . . 25 VAL HB . 10292 1 211 . 1 1 25 25 VAL HG11 H 1 1.041 0.030 . 1 . . . . 25 VAL HG1 . 10292 1 212 . 1 1 25 25 VAL HG12 H 1 1.041 0.030 . 1 . . . . 25 VAL HG1 . 10292 1 213 . 1 1 25 25 VAL HG13 H 1 1.041 0.030 . 1 . . . . 25 VAL HG1 . 10292 1 214 . 1 1 25 25 VAL HG21 H 1 0.992 0.030 . 1 . . . . 25 VAL HG2 . 10292 1 215 . 1 1 25 25 VAL HG22 H 1 0.992 0.030 . 1 . . . . 25 VAL HG2 . 10292 1 216 . 1 1 25 25 VAL HG23 H 1 0.992 0.030 . 1 . . . . 25 VAL HG2 . 10292 1 217 . 1 1 25 25 VAL C C 13 176.630 0.300 . 1 . . . . 25 VAL C . 10292 1 218 . 1 1 25 25 VAL CA C 13 66.856 0.300 . 1 . . . . 25 VAL CA . 10292 1 219 . 1 1 25 25 VAL CB C 13 31.543 0.300 . 1 . . . . 25 VAL CB . 10292 1 220 . 1 1 25 25 VAL CG1 C 13 21.865 0.300 . 2 . . . . 25 VAL CG1 . 10292 1 221 . 1 1 25 25 VAL CG2 C 13 23.606 0.300 . 2 . . . . 25 VAL CG2 . 10292 1 222 . 1 1 25 25 VAL N N 15 117.187 0.300 . 1 . . . . 25 VAL N . 10292 1 223 . 1 1 26 26 LYS H H 1 7.924 0.030 . 1 . . . . 26 LYS H . 10292 1 224 . 1 1 26 26 LYS HA H 1 3.995 0.030 . 1 . . . . 26 LYS HA . 10292 1 225 . 1 1 26 26 LYS HB2 H 1 1.892 0.030 . 1 . . . . 26 LYS HB2 . 10292 1 226 . 1 1 26 26 LYS HB3 H 1 1.892 0.030 . 1 . . . . 26 LYS HB3 . 10292 1 227 . 1 1 26 26 LYS HD2 H 1 1.635 0.030 . 2 . . . . 26 LYS HD2 . 10292 1 228 . 1 1 26 26 LYS HE2 H 1 3.020 0.030 . 2 . . . . 26 LYS HE2 . 10292 1 229 . 1 1 26 26 LYS HG2 H 1 1.480 0.030 . 2 . . . . 26 LYS HG2 . 10292 1 230 . 1 1 26 26 LYS C C 13 178.199 0.300 . 1 . . . . 26 LYS C . 10292 1 231 . 1 1 26 26 LYS CA C 13 59.506 0.300 . 1 . . . . 26 LYS CA . 10292 1 232 . 1 1 26 26 LYS CB C 13 32.209 0.300 . 1 . . . . 26 LYS CB . 10292 1 233 . 1 1 26 26 LYS CD C 13 28.865 0.300 . 1 . . . . 26 LYS CD . 10292 1 234 . 1 1 26 26 LYS CE C 13 42.368 0.300 . 1 . . . . 26 LYS CE . 10292 1 235 . 1 1 26 26 LYS CG C 13 25.019 0.300 . 1 . . . . 26 LYS CG . 10292 1 236 . 1 1 26 26 LYS N N 15 119.341 0.300 . 1 . . . . 26 LYS N . 10292 1 237 . 1 1 27 27 ILE H H 1 7.033 0.030 . 1 . . . . 27 ILE H . 10292 1 238 . 1 1 27 27 ILE HA H 1 3.706 0.030 . 1 . . . . 27 ILE HA . 10292 1 239 . 1 1 27 27 ILE HB H 1 1.718 0.030 . 1 . . . . 27 ILE HB . 10292 1 240 . 1 1 27 27 ILE HD11 H 1 0.786 0.030 . 1 . . . . 27 ILE HD1 . 10292 1 241 . 1 1 27 27 ILE HD12 H 1 0.786 0.030 . 1 . . . . 27 ILE HD1 . 10292 1 242 . 1 1 27 27 ILE HD13 H 1 0.786 0.030 . 1 . . . . 27 ILE HD1 . 10292 1 243 . 1 1 27 27 ILE HG12 H 1 1.101 0.030 . 2 . . . . 27 ILE HG12 . 10292 1 244 . 1 1 27 27 ILE HG13 H 1 1.730 0.030 . 2 . . . . 27 ILE HG13 . 10292 1 245 . 1 1 27 27 ILE HG21 H 1 0.786 0.030 . 1 . . . . 27 ILE HG2 . 10292 1 246 . 1 1 27 27 ILE HG22 H 1 0.786 0.030 . 1 . . . . 27 ILE HG2 . 10292 1 247 . 1 1 27 27 ILE HG23 H 1 0.786 0.030 . 1 . . . . 27 ILE HG2 . 10292 1 248 . 1 1 27 27 ILE C C 13 179.280 0.300 . 1 . . . . 27 ILE C . 10292 1 249 . 1 1 27 27 ILE CA C 13 64.803 0.300 . 1 . . . . 27 ILE CA . 10292 1 250 . 1 1 27 27 ILE CB C 13 38.361 0.300 . 1 . . . . 27 ILE CB . 10292 1 251 . 1 1 27 27 ILE CD1 C 13 13.908 0.300 . 1 . . . . 27 ILE CD1 . 10292 1 252 . 1 1 27 27 ILE CG1 C 13 29.247 0.300 . 1 . . . . 27 ILE CG1 . 10292 1 253 . 1 1 27 27 ILE CG2 C 13 17.814 0.300 . 1 . . . . 27 ILE CG2 . 10292 1 254 . 1 1 27 27 ILE N N 15 117.901 0.300 . 1 . . . . 27 ILE N . 10292 1 255 . 1 1 28 28 LEU H H 1 7.400 0.030 . 1 . . . . 28 LEU H . 10292 1 256 . 1 1 28 28 LEU HA H 1 3.563 0.030 . 1 . . . . 28 LEU HA . 10292 1 257 . 1 1 28 28 LEU HB2 H 1 -0.812 0.030 . 2 . . . . 28 LEU HB2 . 10292 1 258 . 1 1 28 28 LEU HB3 H 1 0.652 0.030 . 2 . . . . 28 LEU HB3 . 10292 1 259 . 1 1 28 28 LEU HD11 H 1 -0.366 0.030 . 1 . . . . 28 LEU HD1 . 10292 1 260 . 1 1 28 28 LEU HD12 H 1 -0.366 0.030 . 1 . . . . 28 LEU HD1 . 10292 1 261 . 1 1 28 28 LEU HD13 H 1 -0.366 0.030 . 1 . . . . 28 LEU HD1 . 10292 1 262 . 1 1 28 28 LEU HD21 H 1 0.617 0.030 . 1 . . . . 28 LEU HD2 . 10292 1 263 . 1 1 28 28 LEU HD22 H 1 0.617 0.030 . 1 . . . . 28 LEU HD2 . 10292 1 264 . 1 1 28 28 LEU HD23 H 1 0.617 0.030 . 1 . . . . 28 LEU HD2 . 10292 1 265 . 1 1 28 28 LEU HG H 1 1.329 0.030 . 1 . . . . 28 LEU HG . 10292 1 266 . 1 1 28 28 LEU C C 13 177.369 0.300 . 1 . . . . 28 LEU C . 10292 1 267 . 1 1 28 28 LEU CA C 13 58.256 0.300 . 1 . . . . 28 LEU CA . 10292 1 268 . 1 1 28 28 LEU CB C 13 37.957 0.300 . 1 . . . . 28 LEU CB . 10292 1 269 . 1 1 28 28 LEU CD1 C 13 23.370 0.300 . 2 . . . . 28 LEU CD1 . 10292 1 270 . 1 1 28 28 LEU CD2 C 13 23.354 0.300 . 2 . . . . 28 LEU CD2 . 10292 1 271 . 1 1 28 28 LEU CG C 13 25.613 0.300 . 1 . . . . 28 LEU CG . 10292 1 272 . 1 1 28 28 LEU N N 15 121.290 0.300 . 1 . . . . 28 LEU N . 10292 1 273 . 1 1 29 29 GLU H H 1 8.880 0.030 . 1 . . . . 29 GLU H . 10292 1 274 . 1 1 29 29 GLU HA H 1 4.327 0.030 . 1 . . . . 29 GLU HA . 10292 1 275 . 1 1 29 29 GLU HB2 H 1 2.168 0.030 . 2 . . . . 29 GLU HB2 . 10292 1 276 . 1 1 29 29 GLU HB3 H 1 2.010 0.030 . 2 . . . . 29 GLU HB3 . 10292 1 277 . 1 1 29 29 GLU HG2 H 1 2.414 0.030 . 2 . . . . 29 GLU HG2 . 10292 1 278 . 1 1 29 29 GLU C C 13 179.216 0.300 . 1 . . . . 29 GLU C . 10292 1 279 . 1 1 29 29 GLU CA C 13 59.430 0.300 . 1 . . . . 29 GLU CA . 10292 1 280 . 1 1 29 29 GLU CB C 13 29.276 0.300 . 1 . . . . 29 GLU CB . 10292 1 281 . 1 1 29 29 GLU CG C 13 34.951 0.300 . 1 . . . . 29 GLU CG . 10292 1 282 . 1 1 29 29 GLU N N 15 120.487 0.300 . 1 . . . . 29 GLU N . 10292 1 283 . 1 1 30 30 ASP H H 1 8.313 0.030 . 1 . . . . 30 ASP H . 10292 1 284 . 1 1 30 30 ASP HA H 1 4.422 0.030 . 1 . . . . 30 ASP HA . 10292 1 285 . 1 1 30 30 ASP HB2 H 1 2.576 0.030 . 2 . . . . 30 ASP HB2 . 10292 1 286 . 1 1 30 30 ASP HB3 H 1 2.808 0.030 . 2 . . . . 30 ASP HB3 . 10292 1 287 . 1 1 30 30 ASP C C 13 179.036 0.300 . 1 . . . . 30 ASP C . 10292 1 288 . 1 1 30 30 ASP CA C 13 57.388 0.300 . 1 . . . . 30 ASP CA . 10292 1 289 . 1 1 30 30 ASP CB C 13 40.547 0.300 . 1 . . . . 30 ASP CB . 10292 1 290 . 1 1 30 30 ASP N N 15 118.471 0.300 . 1 . . . . 30 ASP N . 10292 1 291 . 1 1 31 31 SER H H 1 7.406 0.030 . 1 . . . . 31 SER H . 10292 1 292 . 1 1 31 31 SER HA H 1 4.290 0.030 . 1 . . . . 31 SER HA . 10292 1 293 . 1 1 31 31 SER HB2 H 1 4.047 0.030 . 2 . . . . 31 SER HB2 . 10292 1 294 . 1 1 31 31 SER HB3 H 1 4.402 0.030 . 2 . . . . 31 SER HB3 . 10292 1 295 . 1 1 31 31 SER C C 13 177.290 0.300 . 1 . . . . 31 SER C . 10292 1 296 . 1 1 31 31 SER CA C 13 61.575 0.300 . 1 . . . . 31 SER CA . 10292 1 297 . 1 1 31 31 SER CB C 13 63.167 0.300 . 1 . . . . 31 SER CB . 10292 1 298 . 1 1 31 31 SER N N 15 113.187 0.300 . 1 . . . . 31 SER N . 10292 1 299 . 1 1 32 32 PHE H H 1 9.117 0.030 . 1 . . . . 32 PHE H . 10292 1 300 . 1 1 32 32 PHE HA H 1 4.369 0.030 . 1 . . . . 32 PHE HA . 10292 1 301 . 1 1 32 32 PHE HB2 H 1 3.208 0.030 . 2 . . . . 32 PHE HB2 . 10292 1 302 . 1 1 32 32 PHE HB3 H 1 3.373 0.030 . 2 . . . . 32 PHE HB3 . 10292 1 303 . 1 1 32 32 PHE HD1 H 1 7.171 0.030 . 1 . . . . 32 PHE HD1 . 10292 1 304 . 1 1 32 32 PHE HD2 H 1 7.171 0.030 . 1 . . . . 32 PHE HD2 . 10292 1 305 . 1 1 32 32 PHE HE1 H 1 7.205 0.030 . 1 . . . . 32 PHE HE1 . 10292 1 306 . 1 1 32 32 PHE HE2 H 1 7.205 0.030 . 1 . . . . 32 PHE HE2 . 10292 1 307 . 1 1 32 32 PHE HZ H 1 6.961 0.030 . 1 . . . . 32 PHE HZ . 10292 1 308 . 1 1 32 32 PHE C C 13 176.545 0.300 . 1 . . . . 32 PHE C . 10292 1 309 . 1 1 32 32 PHE CA C 13 61.569 0.300 . 1 . . . . 32 PHE CA . 10292 1 310 . 1 1 32 32 PHE CB C 13 39.362 0.300 . 1 . . . . 32 PHE CB . 10292 1 311 . 1 1 32 32 PHE CD1 C 13 132.169 0.300 . 1 . . . . 32 PHE CD1 . 10292 1 312 . 1 1 32 32 PHE CD2 C 13 132.169 0.300 . 1 . . . . 32 PHE CD2 . 10292 1 313 . 1 1 32 32 PHE CE1 C 13 130.901 0.300 . 1 . . . . 32 PHE CE1 . 10292 1 314 . 1 1 32 32 PHE CE2 C 13 130.901 0.300 . 1 . . . . 32 PHE CE2 . 10292 1 315 . 1 1 32 32 PHE CZ C 13 128.882 0.300 . 1 . . . . 32 PHE CZ . 10292 1 316 . 1 1 32 32 PHE N N 15 121.840 0.300 . 1 . . . . 32 PHE N . 10292 1 317 . 1 1 33 33 LEU H H 1 8.235 0.030 . 1 . . . . 33 LEU H . 10292 1 318 . 1 1 33 33 LEU HA H 1 3.965 0.030 . 1 . . . . 33 LEU HA . 10292 1 319 . 1 1 33 33 LEU HB2 H 1 1.591 0.030 . 2 . . . . 33 LEU HB2 . 10292 1 320 . 1 1 33 33 LEU HB3 H 1 1.914 0.030 . 2 . . . . 33 LEU HB3 . 10292 1 321 . 1 1 33 33 LEU HD11 H 1 1.049 0.030 . 1 . . . . 33 LEU HD1 . 10292 1 322 . 1 1 33 33 LEU HD12 H 1 1.049 0.030 . 1 . . . . 33 LEU HD1 . 10292 1 323 . 1 1 33 33 LEU HD13 H 1 1.049 0.030 . 1 . . . . 33 LEU HD1 . 10292 1 324 . 1 1 33 33 LEU HD21 H 1 0.996 0.030 . 1 . . . . 33 LEU HD2 . 10292 1 325 . 1 1 33 33 LEU HD22 H 1 0.996 0.030 . 1 . . . . 33 LEU HD2 . 10292 1 326 . 1 1 33 33 LEU HD23 H 1 0.996 0.030 . 1 . . . . 33 LEU HD2 . 10292 1 327 . 1 1 33 33 LEU HG H 1 2.075 0.030 . 1 . . . . 33 LEU HG . 10292 1 328 . 1 1 33 33 LEU C C 13 179.575 0.300 . 1 . . . . 33 LEU C . 10292 1 329 . 1 1 33 33 LEU CA C 13 56.998 0.300 . 1 . . . . 33 LEU CA . 10292 1 330 . 1 1 33 33 LEU CB C 13 42.053 0.300 . 1 . . . . 33 LEU CB . 10292 1 331 . 1 1 33 33 LEU CD1 C 13 25.411 0.300 . 2 . . . . 33 LEU CD1 . 10292 1 332 . 1 1 33 33 LEU CD2 C 13 22.952 0.300 . 2 . . . . 33 LEU CD2 . 10292 1 333 . 1 1 33 33 LEU CG C 13 26.903 0.300 . 1 . . . . 33 LEU CG . 10292 1 334 . 1 1 33 33 LEU N N 15 115.363 0.300 . 1 . . . . 33 LEU N . 10292 1 335 . 1 1 34 34 LYS H H 1 7.509 0.030 . 1 . . . . 34 LYS H . 10292 1 336 . 1 1 34 34 LYS HA H 1 4.174 0.030 . 1 . . . . 34 LYS HA . 10292 1 337 . 1 1 34 34 LYS HB2 H 1 2.154 0.030 . 2 . . . . 34 LYS HB2 . 10292 1 338 . 1 1 34 34 LYS HB3 H 1 2.013 0.030 . 2 . . . . 34 LYS HB3 . 10292 1 339 . 1 1 34 34 LYS HD2 H 1 1.733 0.030 . 2 . . . . 34 LYS HD2 . 10292 1 340 . 1 1 34 34 LYS HE2 H 1 3.032 0.030 . 2 . . . . 34 LYS HE2 . 10292 1 341 . 1 1 34 34 LYS HG2 H 1 1.459 0.030 . 2 . . . . 34 LYS HG2 . 10292 1 342 . 1 1 34 34 LYS HG3 H 1 1.681 0.030 . 2 . . . . 34 LYS HG3 . 10292 1 343 . 1 1 34 34 LYS C C 13 178.190 0.300 . 1 . . . . 34 LYS C . 10292 1 344 . 1 1 34 34 LYS CA C 13 58.819 0.300 . 1 . . . . 34 LYS CA . 10292 1 345 . 1 1 34 34 LYS CB C 13 32.352 0.300 . 1 . . . . 34 LYS CB . 10292 1 346 . 1 1 34 34 LYS CD C 13 29.121 0.300 . 1 . . . . 34 LYS CD . 10292 1 347 . 1 1 34 34 LYS CE C 13 42.289 0.300 . 1 . . . . 34 LYS CE . 10292 1 348 . 1 1 34 34 LYS CG C 13 25.202 0.300 . 1 . . . . 34 LYS CG . 10292 1 349 . 1 1 34 34 LYS N N 15 119.688 0.300 . 1 . . . . 34 LYS N . 10292 1 350 . 1 1 35 35 SER H H 1 8.130 0.030 . 1 . . . . 35 SER H . 10292 1 351 . 1 1 35 35 SER HA H 1 4.379 0.030 . 1 . . . . 35 SER HA . 10292 1 352 . 1 1 35 35 SER HB2 H 1 4.005 0.030 . 2 . . . . 35 SER HB2 . 10292 1 353 . 1 1 35 35 SER HB3 H 1 3.476 0.030 . 2 . . . . 35 SER HB3 . 10292 1 354 . 1 1 35 35 SER C C 13 174.000 0.300 . 1 . . . . 35 SER C . 10292 1 355 . 1 1 35 35 SER CA C 13 58.202 0.300 . 1 . . . . 35 SER CA . 10292 1 356 . 1 1 35 35 SER CB C 13 64.375 0.300 . 1 . . . . 35 SER CB . 10292 1 357 . 1 1 35 35 SER N N 15 112.275 0.300 . 1 . . . . 35 SER N . 10292 1 358 . 1 1 36 36 SER H H 1 8.404 0.030 . 1 . . . . 36 SER H . 10292 1 359 . 1 1 36 36 SER HA H 1 3.952 0.030 . 1 . . . . 36 SER HA . 10292 1 360 . 1 1 36 36 SER HB2 H 1 3.185 0.030 . 2 . . . . 36 SER HB2 . 10292 1 361 . 1 1 36 36 SER HB3 H 1 3.576 0.030 . 2 . . . . 36 SER HB3 . 10292 1 362 . 1 1 36 36 SER C C 13 172.467 0.300 . 1 . . . . 36 SER C . 10292 1 363 . 1 1 36 36 SER CA C 13 59.127 0.300 . 1 . . . . 36 SER CA . 10292 1 364 . 1 1 36 36 SER CB C 13 63.788 0.300 . 1 . . . . 36 SER CB . 10292 1 365 . 1 1 36 36 SER N N 15 121.307 0.300 . 1 . . . . 36 SER N . 10292 1 366 . 1 1 37 37 PHE H H 1 7.735 0.030 . 1 . . . . 37 PHE H . 10292 1 367 . 1 1 37 37 PHE HA H 1 4.859 0.030 . 1 . . . . 37 PHE HA . 10292 1 368 . 1 1 37 37 PHE HB2 H 1 3.007 0.030 . 2 . . . . 37 PHE HB2 . 10292 1 369 . 1 1 37 37 PHE HB3 H 1 2.695 0.030 . 2 . . . . 37 PHE HB3 . 10292 1 370 . 1 1 37 37 PHE HD1 H 1 7.250 0.030 . 1 . . . . 37 PHE HD1 . 10292 1 371 . 1 1 37 37 PHE HD2 H 1 7.250 0.030 . 1 . . . . 37 PHE HD2 . 10292 1 372 . 1 1 37 37 PHE HE1 H 1 7.321 0.030 . 1 . . . . 37 PHE HE1 . 10292 1 373 . 1 1 37 37 PHE HE2 H 1 7.321 0.030 . 1 . . . . 37 PHE HE2 . 10292 1 374 . 1 1 37 37 PHE HZ H 1 7.282 0.030 . 1 . . . . 37 PHE HZ . 10292 1 375 . 1 1 37 37 PHE C C 13 172.549 0.300 . 1 . . . . 37 PHE C . 10292 1 376 . 1 1 37 37 PHE CA C 13 55.604 0.300 . 1 . . . . 37 PHE CA . 10292 1 377 . 1 1 37 37 PHE CB C 13 39.842 0.300 . 1 . . . . 37 PHE CB . 10292 1 378 . 1 1 37 37 PHE CD1 C 13 132.403 0.300 . 1 . . . . 37 PHE CD1 . 10292 1 379 . 1 1 37 37 PHE CD2 C 13 132.403 0.300 . 1 . . . . 37 PHE CD2 . 10292 1 380 . 1 1 37 37 PHE CE1 C 13 130.852 0.300 . 1 . . . . 37 PHE CE1 . 10292 1 381 . 1 1 37 37 PHE CE2 C 13 130.852 0.300 . 1 . . . . 37 PHE CE2 . 10292 1 382 . 1 1 37 37 PHE CZ C 13 129.497 0.300 . 1 . . . . 37 PHE CZ . 10292 1 383 . 1 1 37 37 PHE N N 15 118.373 0.300 . 1 . . . . 37 PHE N . 10292 1 384 . 1 1 38 38 PRO HA H 1 4.391 0.030 . 1 . . . . 38 PRO HA . 10292 1 385 . 1 1 38 38 PRO HB2 H 1 1.551 0.030 . 2 . . . . 38 PRO HB2 . 10292 1 386 . 1 1 38 38 PRO HB3 H 1 2.213 0.030 . 2 . . . . 38 PRO HB3 . 10292 1 387 . 1 1 38 38 PRO HD2 H 1 3.326 0.030 . 2 . . . . 38 PRO HD2 . 10292 1 388 . 1 1 38 38 PRO HD3 H 1 2.972 0.030 . 2 . . . . 38 PRO HD3 . 10292 1 389 . 1 1 38 38 PRO HG2 H 1 0.514 0.030 . 2 . . . . 38 PRO HG2 . 10292 1 390 . 1 1 38 38 PRO HG3 H 1 1.172 0.030 . 2 . . . . 38 PRO HG3 . 10292 1 391 . 1 1 38 38 PRO C C 13 177.660 0.300 . 1 . . . . 38 PRO C . 10292 1 392 . 1 1 38 38 PRO CA C 13 62.193 0.300 . 1 . . . . 38 PRO CA . 10292 1 393 . 1 1 38 38 PRO CB C 13 31.490 0.300 . 1 . . . . 38 PRO CB . 10292 1 394 . 1 1 38 38 PRO CD C 13 51.170 0.300 . 1 . . . . 38 PRO CD . 10292 1 395 . 1 1 38 38 PRO CG C 13 26.513 0.300 . 1 . . . . 38 PRO CG . 10292 1 396 . 1 1 39 39 THR H H 1 7.809 0.030 . 1 . . . . 39 THR H . 10292 1 397 . 1 1 39 39 THR HA H 1 4.322 0.030 . 1 . . . . 39 THR HA . 10292 1 398 . 1 1 39 39 THR HB H 1 4.767 0.030 . 1 . . . . 39 THR HB . 10292 1 399 . 1 1 39 39 THR HG21 H 1 1.433 0.030 . 1 . . . . 39 THR HG2 . 10292 1 400 . 1 1 39 39 THR HG22 H 1 1.433 0.030 . 1 . . . . 39 THR HG2 . 10292 1 401 . 1 1 39 39 THR HG23 H 1 1.433 0.030 . 1 . . . . 39 THR HG2 . 10292 1 402 . 1 1 39 39 THR C C 13 174.966 0.300 . 1 . . . . 39 THR C . 10292 1 403 . 1 1 39 39 THR CA C 13 60.648 0.300 . 1 . . . . 39 THR CA . 10292 1 404 . 1 1 39 39 THR CB C 13 71.192 0.300 . 1 . . . . 39 THR CB . 10292 1 405 . 1 1 39 39 THR CG2 C 13 21.987 0.300 . 1 . . . . 39 THR CG2 . 10292 1 406 . 1 1 39 39 THR N N 15 111.373 0.300 . 1 . . . . 39 THR N . 10292 1 407 . 1 1 40 40 GLN H H 1 8.880 0.030 . 1 . . . . 40 GLN H . 10292 1 408 . 1 1 40 40 GLN HA H 1 3.907 0.030 . 1 . . . . 40 GLN HA . 10292 1 409 . 1 1 40 40 GLN HB2 H 1 2.186 0.030 . 2 . . . . 40 GLN HB2 . 10292 1 410 . 1 1 40 40 GLN HB3 H 1 2.104 0.030 . 2 . . . . 40 GLN HB3 . 10292 1 411 . 1 1 40 40 GLN HE21 H 1 7.760 0.030 . 2 . . . . 40 GLN HE21 . 10292 1 412 . 1 1 40 40 GLN HE22 H 1 6.850 0.030 . 2 . . . . 40 GLN HE22 . 10292 1 413 . 1 1 40 40 GLN HG2 H 1 2.446 0.030 . 2 . . . . 40 GLN HG2 . 10292 1 414 . 1 1 40 40 GLN C C 13 177.855 0.300 . 1 . . . . 40 GLN C . 10292 1 415 . 1 1 40 40 GLN CA C 13 59.243 0.300 . 1 . . . . 40 GLN CA . 10292 1 416 . 1 1 40 40 GLN CB C 13 28.107 0.300 . 1 . . . . 40 GLN CB . 10292 1 417 . 1 1 40 40 GLN CG C 13 33.732 0.300 . 1 . . . . 40 GLN CG . 10292 1 418 . 1 1 40 40 GLN N N 15 120.143 0.300 . 1 . . . . 40 GLN N . 10292 1 419 . 1 1 40 40 GLN NE2 N 15 115.187 0.300 . 1 . . . . 40 GLN NE2 . 10292 1 420 . 1 1 41 41 ALA H H 1 8.286 0.030 . 1 . . . . 41 ALA H . 10292 1 421 . 1 1 41 41 ALA HA H 1 4.212 0.030 . 1 . . . . 41 ALA HA . 10292 1 422 . 1 1 41 41 ALA HB1 H 1 1.450 0.030 . 1 . . . . 41 ALA HB . 10292 1 423 . 1 1 41 41 ALA HB2 H 1 1.450 0.030 . 1 . . . . 41 ALA HB . 10292 1 424 . 1 1 41 41 ALA HB3 H 1 1.450 0.030 . 1 . . . . 41 ALA HB . 10292 1 425 . 1 1 41 41 ALA C C 13 180.741 0.300 . 1 . . . . 41 ALA C . 10292 1 426 . 1 1 41 41 ALA CA C 13 55.009 0.300 . 1 . . . . 41 ALA CA . 10292 1 427 . 1 1 41 41 ALA CB C 13 18.111 0.300 . 1 . . . . 41 ALA CB . 10292 1 428 . 1 1 41 41 ALA N N 15 119.773 0.300 . 1 . . . . 41 ALA N . 10292 1 429 . 1 1 42 42 GLU H H 1 7.772 0.030 . 1 . . . . 42 GLU H . 10292 1 430 . 1 1 42 42 GLU HA H 1 4.673 0.030 . 1 . . . . 42 GLU HA . 10292 1 431 . 1 1 42 42 GLU HB2 H 1 2.072 0.030 . 2 . . . . 42 GLU HB2 . 10292 1 432 . 1 1 42 42 GLU HB3 H 1 1.938 0.030 . 2 . . . . 42 GLU HB3 . 10292 1 433 . 1 1 42 42 GLU HG2 H 1 2.583 0.030 . 2 . . . . 42 GLU HG2 . 10292 1 434 . 1 1 42 42 GLU HG3 H 1 2.085 0.030 . 2 . . . . 42 GLU HG3 . 10292 1 435 . 1 1 42 42 GLU C C 13 178.478 0.300 . 1 . . . . 42 GLU C . 10292 1 436 . 1 1 42 42 GLU CA C 13 57.730 0.300 . 1 . . . . 42 GLU CA . 10292 1 437 . 1 1 42 42 GLU CB C 13 28.610 0.300 . 1 . . . . 42 GLU CB . 10292 1 438 . 1 1 42 42 GLU CG C 13 33.261 0.300 . 1 . . . . 42 GLU CG . 10292 1 439 . 1 1 42 42 GLU N N 15 122.141 0.300 . 1 . . . . 42 GLU N . 10292 1 440 . 1 1 43 43 LEU H H 1 8.472 0.030 . 1 . . . . 43 LEU H . 10292 1 441 . 1 1 43 43 LEU HA H 1 3.924 0.030 . 1 . . . . 43 LEU HA . 10292 1 442 . 1 1 43 43 LEU HB2 H 1 1.350 0.030 . 2 . . . . 43 LEU HB2 . 10292 1 443 . 1 1 43 43 LEU HB3 H 1 1.981 0.030 . 2 . . . . 43 LEU HB3 . 10292 1 444 . 1 1 43 43 LEU HD11 H 1 0.771 0.030 . 1 . . . . 43 LEU HD1 . 10292 1 445 . 1 1 43 43 LEU HD12 H 1 0.771 0.030 . 1 . . . . 43 LEU HD1 . 10292 1 446 . 1 1 43 43 LEU HD13 H 1 0.771 0.030 . 1 . . . . 43 LEU HD1 . 10292 1 447 . 1 1 43 43 LEU HD21 H 1 0.676 0.030 . 1 . . . . 43 LEU HD2 . 10292 1 448 . 1 1 43 43 LEU HD22 H 1 0.676 0.030 . 1 . . . . 43 LEU HD2 . 10292 1 449 . 1 1 43 43 LEU HD23 H 1 0.676 0.030 . 1 . . . . 43 LEU HD2 . 10292 1 450 . 1 1 43 43 LEU HG H 1 1.489 0.030 . 1 . . . . 43 LEU HG . 10292 1 451 . 1 1 43 43 LEU C C 13 179.842 0.300 . 1 . . . . 43 LEU C . 10292 1 452 . 1 1 43 43 LEU CA C 13 58.828 0.300 . 1 . . . . 43 LEU CA . 10292 1 453 . 1 1 43 43 LEU CB C 13 41.540 0.300 . 1 . . . . 43 LEU CB . 10292 1 454 . 1 1 43 43 LEU CD1 C 13 25.490 0.300 . 2 . . . . 43 LEU CD1 . 10292 1 455 . 1 1 43 43 LEU CD2 C 13 23.449 0.300 . 2 . . . . 43 LEU CD2 . 10292 1 456 . 1 1 43 43 LEU CG C 13 27.008 0.300 . 1 . . . . 43 LEU CG . 10292 1 457 . 1 1 43 43 LEU N N 15 121.542 0.300 . 1 . . . . 43 LEU N . 10292 1 458 . 1 1 44 44 ASP H H 1 8.384 0.030 . 1 . . . . 44 ASP H . 10292 1 459 . 1 1 44 44 ASP HA H 1 4.447 0.030 . 1 . . . . 44 ASP HA . 10292 1 460 . 1 1 44 44 ASP HB2 H 1 2.703 0.030 . 2 . . . . 44 ASP HB2 . 10292 1 461 . 1 1 44 44 ASP HB3 H 1 2.828 0.030 . 2 . . . . 44 ASP HB3 . 10292 1 462 . 1 1 44 44 ASP C C 13 178.428 0.300 . 1 . . . . 44 ASP C . 10292 1 463 . 1 1 44 44 ASP CA C 13 57.812 0.300 . 1 . . . . 44 ASP CA . 10292 1 464 . 1 1 44 44 ASP CB C 13 40.226 0.300 . 1 . . . . 44 ASP CB . 10292 1 465 . 1 1 44 44 ASP N N 15 119.756 0.300 . 1 . . . . 44 ASP N . 10292 1 466 . 1 1 45 45 ARG H H 1 7.979 0.030 . 1 . . . . 45 ARG H . 10292 1 467 . 1 1 45 45 ARG HA H 1 4.058 0.030 . 1 . . . . 45 ARG HA . 10292 1 468 . 1 1 45 45 ARG HB2 H 1 1.913 0.030 . 2 . . . . 45 ARG HB2 . 10292 1 469 . 1 1 45 45 ARG HB3 H 1 2.151 0.030 . 2 . . . . 45 ARG HB3 . 10292 1 470 . 1 1 45 45 ARG HD2 H 1 2.970 0.030 . 2 . . . . 45 ARG HD2 . 10292 1 471 . 1 1 45 45 ARG HD3 H 1 3.447 0.030 . 2 . . . . 45 ARG HD3 . 10292 1 472 . 1 1 45 45 ARG HE H 1 8.474 0.030 . 1 . . . . 45 ARG HE . 10292 1 473 . 1 1 45 45 ARG HG2 H 1 1.412 0.030 . 2 . . . . 45 ARG HG2 . 10292 1 474 . 1 1 45 45 ARG HG3 H 1 1.769 0.030 . 2 . . . . 45 ARG HG3 . 10292 1 475 . 1 1 45 45 ARG C C 13 179.249 0.300 . 1 . . . . 45 ARG C . 10292 1 476 . 1 1 45 45 ARG CA C 13 59.629 0.300 . 1 . . . . 45 ARG CA . 10292 1 477 . 1 1 45 45 ARG CB C 13 30.553 0.300 . 1 . . . . 45 ARG CB . 10292 1 478 . 1 1 45 45 ARG CD C 13 42.861 0.300 . 1 . . . . 45 ARG CD . 10292 1 479 . 1 1 45 45 ARG CG C 13 27.891 0.300 . 1 . . . . 45 ARG CG . 10292 1 480 . 1 1 45 45 ARG N N 15 123.029 0.300 . 1 . . . . 45 ARG N . 10292 1 481 . 1 1 45 45 ARG NE N 15 83.264 0.300 . 1 . . . . 45 ARG NE . 10292 1 482 . 1 1 46 46 LEU H H 1 8.943 0.030 . 1 . . . . 46 LEU H . 10292 1 483 . 1 1 46 46 LEU HA H 1 3.922 0.030 . 1 . . . . 46 LEU HA . 10292 1 484 . 1 1 46 46 LEU HB2 H 1 1.166 0.030 . 2 . . . . 46 LEU HB2 . 10292 1 485 . 1 1 46 46 LEU HB3 H 1 2.265 0.030 . 2 . . . . 46 LEU HB3 . 10292 1 486 . 1 1 46 46 LEU HD11 H 1 1.184 0.030 . 1 . . . . 46 LEU HD1 . 10292 1 487 . 1 1 46 46 LEU HD12 H 1 1.184 0.030 . 1 . . . . 46 LEU HD1 . 10292 1 488 . 1 1 46 46 LEU HD13 H 1 1.184 0.030 . 1 . . . . 46 LEU HD1 . 10292 1 489 . 1 1 46 46 LEU HD21 H 1 0.829 0.030 . 1 . . . . 46 LEU HD2 . 10292 1 490 . 1 1 46 46 LEU HD22 H 1 0.829 0.030 . 1 . . . . 46 LEU HD2 . 10292 1 491 . 1 1 46 46 LEU HD23 H 1 0.829 0.030 . 1 . . . . 46 LEU HD2 . 10292 1 492 . 1 1 46 46 LEU HG H 1 2.039 0.030 . 1 . . . . 46 LEU HG . 10292 1 493 . 1 1 46 46 LEU C C 13 180.973 0.300 . 1 . . . . 46 LEU C . 10292 1 494 . 1 1 46 46 LEU CA C 13 57.885 0.300 . 1 . . . . 46 LEU CA . 10292 1 495 . 1 1 46 46 LEU CB C 13 42.943 0.300 . 1 . . . . 46 LEU CB . 10292 1 496 . 1 1 46 46 LEU CD1 C 13 26.363 0.300 . 2 . . . . 46 LEU CD1 . 10292 1 497 . 1 1 46 46 LEU CD2 C 13 23.811 0.300 . 2 . . . . 46 LEU CD2 . 10292 1 498 . 1 1 46 46 LEU CG C 13 26.432 0.300 . 1 . . . . 46 LEU CG . 10292 1 499 . 1 1 46 46 LEU N N 15 118.282 0.300 . 1 . . . . 46 LEU N . 10292 1 500 . 1 1 47 47 ARG H H 1 8.421 0.030 . 1 . . . . 47 ARG H . 10292 1 501 . 1 1 47 47 ARG HA H 1 4.050 0.030 . 1 . . . . 47 ARG HA . 10292 1 502 . 1 1 47 47 ARG HB2 H 1 1.922 0.030 . 2 . . . . 47 ARG HB2 . 10292 1 503 . 1 1 47 47 ARG HB3 H 1 2.185 0.030 . 2 . . . . 47 ARG HB3 . 10292 1 504 . 1 1 47 47 ARG HD2 H 1 3.137 0.030 . 2 . . . . 47 ARG HD2 . 10292 1 505 . 1 1 47 47 ARG HD3 H 1 3.392 0.030 . 2 . . . . 47 ARG HD3 . 10292 1 506 . 1 1 47 47 ARG HG2 H 1 1.618 0.030 . 2 . . . . 47 ARG HG2 . 10292 1 507 . 1 1 47 47 ARG HG3 H 1 2.002 0.030 . 2 . . . . 47 ARG HG3 . 10292 1 508 . 1 1 47 47 ARG C C 13 178.760 0.300 . 1 . . . . 47 ARG C . 10292 1 509 . 1 1 47 47 ARG CA C 13 60.366 0.300 . 1 . . . . 47 ARG CA . 10292 1 510 . 1 1 47 47 ARG CB C 13 29.957 0.300 . 1 . . . . 47 ARG CB . 10292 1 511 . 1 1 47 47 ARG CD C 13 43.859 0.300 . 1 . . . . 47 ARG CD . 10292 1 512 . 1 1 47 47 ARG CG C 13 26.903 0.300 . 1 . . . . 47 ARG CG . 10292 1 513 . 1 1 47 47 ARG N N 15 125.416 0.300 . 1 . . . . 47 ARG N . 10292 1 514 . 1 1 48 48 VAL H H 1 7.626 0.030 . 1 . . . . 48 VAL H . 10292 1 515 . 1 1 48 48 VAL HA H 1 3.700 0.030 . 1 . . . . 48 VAL HA . 10292 1 516 . 1 1 48 48 VAL HB H 1 2.308 0.030 . 1 . . . . 48 VAL HB . 10292 1 517 . 1 1 48 48 VAL HG11 H 1 1.119 0.030 . 1 . . . . 48 VAL HG1 . 10292 1 518 . 1 1 48 48 VAL HG12 H 1 1.119 0.030 . 1 . . . . 48 VAL HG1 . 10292 1 519 . 1 1 48 48 VAL HG13 H 1 1.119 0.030 . 1 . . . . 48 VAL HG1 . 10292 1 520 . 1 1 48 48 VAL HG21 H 1 0.976 0.030 . 1 . . . . 48 VAL HG2 . 10292 1 521 . 1 1 48 48 VAL HG22 H 1 0.976 0.030 . 1 . . . . 48 VAL HG2 . 10292 1 522 . 1 1 48 48 VAL HG23 H 1 0.976 0.030 . 1 . . . . 48 VAL HG2 . 10292 1 523 . 1 1 48 48 VAL C C 13 178.628 0.300 . 1 . . . . 48 VAL C . 10292 1 524 . 1 1 48 48 VAL CA C 13 66.325 0.300 . 1 . . . . 48 VAL CA . 10292 1 525 . 1 1 48 48 VAL CB C 13 31.902 0.300 . 1 . . . . 48 VAL CB . 10292 1 526 . 1 1 48 48 VAL CG1 C 13 22.585 0.300 . 2 . . . . 48 VAL CG1 . 10292 1 527 . 1 1 48 48 VAL CG2 C 13 21.215 0.300 . 2 . . . . 48 VAL CG2 . 10292 1 528 . 1 1 48 48 VAL N N 15 119.769 0.300 . 1 . . . . 48 VAL N . 10292 1 529 . 1 1 49 49 GLU H H 1 8.419 0.030 . 1 . . . . 49 GLU H . 10292 1 530 . 1 1 49 49 GLU HA H 1 4.202 0.030 . 1 . . . . 49 GLU HA . 10292 1 531 . 1 1 49 49 GLU HB2 H 1 1.897 0.030 . 2 . . . . 49 GLU HB2 . 10292 1 532 . 1 1 49 49 GLU HB3 H 1 2.235 0.030 . 2 . . . . 49 GLU HB3 . 10292 1 533 . 1 1 49 49 GLU HG2 H 1 2.396 0.030 . 2 . . . . 49 GLU HG2 . 10292 1 534 . 1 1 49 49 GLU C C 13 178.866 0.300 . 1 . . . . 49 GLU C . 10292 1 535 . 1 1 49 49 GLU CA C 13 59.062 0.300 . 1 . . . . 49 GLU CA . 10292 1 536 . 1 1 49 49 GLU CB C 13 30.950 0.300 . 1 . . . . 49 GLU CB . 10292 1 537 . 1 1 49 49 GLU CG C 13 36.323 0.300 . 1 . . . . 49 GLU CG . 10292 1 538 . 1 1 49 49 GLU N N 15 116.074 0.300 . 1 . . . . 49 GLU N . 10292 1 539 . 1 1 50 50 THR H H 1 8.436 0.030 . 1 . . . . 50 THR H . 10292 1 540 . 1 1 50 50 THR HA H 1 4.335 0.030 . 1 . . . . 50 THR HA . 10292 1 541 . 1 1 50 50 THR HB H 1 4.032 0.030 . 1 . . . . 50 THR HB . 10292 1 542 . 1 1 50 50 THR HG21 H 1 1.275 0.030 . 1 . . . . 50 THR HG2 . 10292 1 543 . 1 1 50 50 THR HG22 H 1 1.275 0.030 . 1 . . . . 50 THR HG2 . 10292 1 544 . 1 1 50 50 THR HG23 H 1 1.275 0.030 . 1 . . . . 50 THR HG2 . 10292 1 545 . 1 1 50 50 THR C C 13 175.412 0.300 . 1 . . . . 50 THR C . 10292 1 546 . 1 1 50 50 THR CA C 13 63.447 0.300 . 1 . . . . 50 THR CA . 10292 1 547 . 1 1 50 50 THR CB C 13 71.702 0.300 . 1 . . . . 50 THR CB . 10292 1 548 . 1 1 50 50 THR CG2 C 13 21.815 0.300 . 1 . . . . 50 THR CG2 . 10292 1 549 . 1 1 50 50 THR N N 15 105.198 0.300 . 1 . . . . 50 THR N . 10292 1 550 . 1 1 51 51 LYS H H 1 7.745 0.030 . 1 . . . . 51 LYS H . 10292 1 551 . 1 1 51 51 LYS HA H 1 4.032 0.030 . 1 . . . . 51 LYS HA . 10292 1 552 . 1 1 51 51 LYS HB2 H 1 2.085 0.030 . 2 . . . . 51 LYS HB2 . 10292 1 553 . 1 1 51 51 LYS HB3 H 1 2.242 0.030 . 2 . . . . 51 LYS HB3 . 10292 1 554 . 1 1 51 51 LYS HD2 H 1 1.732 0.030 . 2 . . . . 51 LYS HD2 . 10292 1 555 . 1 1 51 51 LYS HD3 H 1 1.675 0.030 . 2 . . . . 51 LYS HD3 . 10292 1 556 . 1 1 51 51 LYS HE2 H 1 3.045 0.030 . 2 . . . . 51 LYS HE2 . 10292 1 557 . 1 1 51 51 LYS HE3 H 1 3.086 0.030 . 2 . . . . 51 LYS HE3 . 10292 1 558 . 1 1 51 51 LYS HG2 H 1 1.383 0.030 . 2 . . . . 51 LYS HG2 . 10292 1 559 . 1 1 51 51 LYS C C 13 175.949 0.300 . 1 . . . . 51 LYS C . 10292 1 560 . 1 1 51 51 LYS CA C 13 58.428 0.300 . 1 . . . . 51 LYS CA . 10292 1 561 . 1 1 51 51 LYS CB C 13 29.225 0.300 . 1 . . . . 51 LYS CB . 10292 1 562 . 1 1 51 51 LYS CD C 13 29.022 0.300 . 1 . . . . 51 LYS CD . 10292 1 563 . 1 1 51 51 LYS CE C 13 42.600 0.300 . 1 . . . . 51 LYS CE . 10292 1 564 . 1 1 51 51 LYS CG C 13 25.333 0.300 . 1 . . . . 51 LYS CG . 10292 1 565 . 1 1 51 51 LYS N N 15 114.904 0.300 . 1 . . . . 51 LYS N . 10292 1 566 . 1 1 52 52 LEU H H 1 7.679 0.030 . 1 . . . . 52 LEU H . 10292 1 567 . 1 1 52 52 LEU HA H 1 4.519 0.030 . 1 . . . . 52 LEU HA . 10292 1 568 . 1 1 52 52 LEU HB2 H 1 1.354 0.030 . 2 . . . . 52 LEU HB2 . 10292 1 569 . 1 1 52 52 LEU HB3 H 1 1.736 0.030 . 2 . . . . 52 LEU HB3 . 10292 1 570 . 1 1 52 52 LEU HD11 H 1 0.619 0.030 . 1 . . . . 52 LEU HD1 . 10292 1 571 . 1 1 52 52 LEU HD12 H 1 0.619 0.030 . 1 . . . . 52 LEU HD1 . 10292 1 572 . 1 1 52 52 LEU HD13 H 1 0.619 0.030 . 1 . . . . 52 LEU HD1 . 10292 1 573 . 1 1 52 52 LEU HD21 H 1 0.864 0.030 . 1 . . . . 52 LEU HD2 . 10292 1 574 . 1 1 52 52 LEU HD22 H 1 0.864 0.030 . 1 . . . . 52 LEU HD2 . 10292 1 575 . 1 1 52 52 LEU HD23 H 1 0.864 0.030 . 1 . . . . 52 LEU HD2 . 10292 1 576 . 1 1 52 52 LEU HG H 1 1.468 0.030 . 1 . . . . 52 LEU HG . 10292 1 577 . 1 1 52 52 LEU C C 13 176.301 0.300 . 1 . . . . 52 LEU C . 10292 1 578 . 1 1 52 52 LEU CA C 13 53.820 0.300 . 1 . . . . 52 LEU CA . 10292 1 579 . 1 1 52 52 LEU CB C 13 43.987 0.300 . 1 . . . . 52 LEU CB . 10292 1 580 . 1 1 52 52 LEU CD1 C 13 26.337 0.300 . 2 . . . . 52 LEU CD1 . 10292 1 581 . 1 1 52 52 LEU CD2 C 13 23.472 0.300 . 2 . . . . 52 LEU CD2 . 10292 1 582 . 1 1 52 52 LEU CG C 13 26.896 0.300 . 1 . . . . 52 LEU CG . 10292 1 583 . 1 1 52 52 LEU N N 15 120.156 0.300 . 1 . . . . 52 LEU N . 10292 1 584 . 1 1 53 53 SER H H 1 8.599 0.030 . 1 . . . . 53 SER H . 10292 1 585 . 1 1 53 53 SER HA H 1 4.454 0.030 . 1 . . . . 53 SER HA . 10292 1 586 . 1 1 53 53 SER HB2 H 1 4.108 0.030 . 2 . . . . 53 SER HB2 . 10292 1 587 . 1 1 53 53 SER HB3 H 1 4.413 0.030 . 2 . . . . 53 SER HB3 . 10292 1 588 . 1 1 53 53 SER C C 13 175.265 0.300 . 1 . . . . 53 SER C . 10292 1 589 . 1 1 53 53 SER CA C 13 57.586 0.300 . 1 . . . . 53 SER CA . 10292 1 590 . 1 1 53 53 SER CB C 13 65.402 0.300 . 1 . . . . 53 SER CB . 10292 1 591 . 1 1 53 53 SER N N 15 114.483 0.300 . 1 . . . . 53 SER N . 10292 1 592 . 1 1 54 54 ARG H H 1 9.030 0.030 . 1 . . . . 54 ARG H . 10292 1 593 . 1 1 54 54 ARG HA H 1 3.925 0.030 . 1 . . . . 54 ARG HA . 10292 1 594 . 1 1 54 54 ARG HB2 H 1 1.932 0.030 . 1 . . . . 54 ARG HB2 . 10292 1 595 . 1 1 54 54 ARG HB3 H 1 1.932 0.030 . 1 . . . . 54 ARG HB3 . 10292 1 596 . 1 1 54 54 ARG HD2 H 1 3.245 0.030 . 2 . . . . 54 ARG HD2 . 10292 1 597 . 1 1 54 54 ARG HG2 H 1 1.769 0.030 . 2 . . . . 54 ARG HG2 . 10292 1 598 . 1 1 54 54 ARG HG3 H 1 1.708 0.030 . 2 . . . . 54 ARG HG3 . 10292 1 599 . 1 1 54 54 ARG C C 13 178.621 0.300 . 1 . . . . 54 ARG C . 10292 1 600 . 1 1 54 54 ARG CA C 13 59.660 0.300 . 1 . . . . 54 ARG CA . 10292 1 601 . 1 1 54 54 ARG CB C 13 29.594 0.300 . 1 . . . . 54 ARG CB . 10292 1 602 . 1 1 54 54 ARG CD C 13 42.672 0.300 . 1 . . . . 54 ARG CD . 10292 1 603 . 1 1 54 54 ARG CG C 13 27.905 0.300 . 1 . . . . 54 ARG CG . 10292 1 604 . 1 1 54 54 ARG N N 15 121.039 0.300 . 1 . . . . 54 ARG N . 10292 1 605 . 1 1 55 55 ARG H H 1 8.472 0.030 . 1 . . . . 55 ARG H . 10292 1 606 . 1 1 55 55 ARG HA H 1 4.253 0.030 . 1 . . . . 55 ARG HA . 10292 1 607 . 1 1 55 55 ARG HB2 H 1 1.863 0.030 . 2 . . . . 55 ARG HB2 . 10292 1 608 . 1 1 55 55 ARG HB3 H 1 1.974 0.030 . 2 . . . . 55 ARG HB3 . 10292 1 609 . 1 1 55 55 ARG HD2 H 1 3.306 0.030 . 2 . . . . 55 ARG HD2 . 10292 1 610 . 1 1 55 55 ARG HG2 H 1 1.775 0.030 . 2 . . . . 55 ARG HG2 . 10292 1 611 . 1 1 55 55 ARG C C 13 179.367 0.300 . 1 . . . . 55 ARG C . 10292 1 612 . 1 1 55 55 ARG CA C 13 59.387 0.300 . 1 . . . . 55 ARG CA . 10292 1 613 . 1 1 55 55 ARG CB C 13 30.068 0.300 . 1 . . . . 55 ARG CB . 10292 1 614 . 1 1 55 55 ARG CD C 13 43.467 0.300 . 1 . . . . 55 ARG CD . 10292 1 615 . 1 1 55 55 ARG CG C 13 27.217 0.300 . 1 . . . . 55 ARG CG . 10292 1 616 . 1 1 55 55 ARG N N 15 117.655 0.300 . 1 . . . . 55 ARG N . 10292 1 617 . 1 1 56 56 GLU H H 1 7.849 0.030 . 1 . . . . 56 GLU H . 10292 1 618 . 1 1 56 56 GLU HA H 1 3.909 0.030 . 1 . . . . 56 GLU HA . 10292 1 619 . 1 1 56 56 GLU HB2 H 1 2.340 0.030 . 2 . . . . 56 GLU HB2 . 10292 1 620 . 1 1 56 56 GLU HB3 H 1 1.847 0.030 . 2 . . . . 56 GLU HB3 . 10292 1 621 . 1 1 56 56 GLU HG2 H 1 2.088 0.030 . 2 . . . . 56 GLU HG2 . 10292 1 622 . 1 1 56 56 GLU C C 13 179.885 0.300 . 1 . . . . 56 GLU C . 10292 1 623 . 1 1 56 56 GLU CA C 13 59.421 0.300 . 1 . . . . 56 GLU CA . 10292 1 624 . 1 1 56 56 GLU CB C 13 30.907 0.300 . 1 . . . . 56 GLU CB . 10292 1 625 . 1 1 56 56 GLU CG C 13 37.904 0.300 . 1 . . . . 56 GLU CG . 10292 1 626 . 1 1 56 56 GLU N N 15 119.916 0.300 . 1 . . . . 56 GLU N . 10292 1 627 . 1 1 57 57 ILE H H 1 8.254 0.030 . 1 . . . . 57 ILE H . 10292 1 628 . 1 1 57 57 ILE HA H 1 3.732 0.030 . 1 . . . . 57 ILE HA . 10292 1 629 . 1 1 57 57 ILE HB H 1 1.936 0.030 . 1 . . . . 57 ILE HB . 10292 1 630 . 1 1 57 57 ILE HD11 H 1 0.710 0.030 . 1 . . . . 57 ILE HD1 . 10292 1 631 . 1 1 57 57 ILE HD12 H 1 0.710 0.030 . 1 . . . . 57 ILE HD1 . 10292 1 632 . 1 1 57 57 ILE HD13 H 1 0.710 0.030 . 1 . . . . 57 ILE HD1 . 10292 1 633 . 1 1 57 57 ILE HG12 H 1 1.853 0.030 . 2 . . . . 57 ILE HG12 . 10292 1 634 . 1 1 57 57 ILE HG13 H 1 0.727 0.030 . 2 . . . . 57 ILE HG13 . 10292 1 635 . 1 1 57 57 ILE HG21 H 1 1.146 0.030 . 1 . . . . 57 ILE HG2 . 10292 1 636 . 1 1 57 57 ILE HG22 H 1 1.146 0.030 . 1 . . . . 57 ILE HG2 . 10292 1 637 . 1 1 57 57 ILE HG23 H 1 1.146 0.030 . 1 . . . . 57 ILE HG2 . 10292 1 638 . 1 1 57 57 ILE C C 13 177.586 0.300 . 1 . . . . 57 ILE C . 10292 1 639 . 1 1 57 57 ILE CA C 13 66.553 0.300 . 1 . . . . 57 ILE CA . 10292 1 640 . 1 1 57 57 ILE CB C 13 38.596 0.300 . 1 . . . . 57 ILE CB . 10292 1 641 . 1 1 57 57 ILE CD1 C 13 13.654 0.300 . 1 . . . . 57 ILE CD1 . 10292 1 642 . 1 1 57 57 ILE CG1 C 13 30.278 0.300 . 1 . . . . 57 ILE CG1 . 10292 1 643 . 1 1 57 57 ILE CG2 C 13 19.238 0.300 . 1 . . . . 57 ILE CG2 . 10292 1 644 . 1 1 57 57 ILE N N 15 122.354 0.300 . 1 . . . . 57 ILE N . 10292 1 645 . 1 1 58 58 ASP H H 1 8.899 0.030 . 1 . . . . 58 ASP H . 10292 1 646 . 1 1 58 58 ASP HA H 1 4.621 0.030 . 1 . . . . 58 ASP HA . 10292 1 647 . 1 1 58 58 ASP HB2 H 1 2.784 0.030 . 2 . . . . 58 ASP HB2 . 10292 1 648 . 1 1 58 58 ASP HB3 H 1 2.863 0.030 . 2 . . . . 58 ASP HB3 . 10292 1 649 . 1 1 58 58 ASP C C 13 180.161 0.300 . 1 . . . . 58 ASP C . 10292 1 650 . 1 1 58 58 ASP CA C 13 58.114 0.300 . 1 . . . . 58 ASP CA . 10292 1 651 . 1 1 58 58 ASP CB C 13 40.817 0.300 . 1 . . . . 58 ASP CB . 10292 1 652 . 1 1 58 58 ASP N N 15 121.029 0.300 . 1 . . . . 58 ASP N . 10292 1 653 . 1 1 59 59 SER H H 1 8.321 0.030 . 1 . . . . 59 SER H . 10292 1 654 . 1 1 59 59 SER HA H 1 4.371 0.030 . 1 . . . . 59 SER HA . 10292 1 655 . 1 1 59 59 SER HB2 H 1 4.100 0.030 . 2 . . . . 59 SER HB2 . 10292 1 656 . 1 1 59 59 SER C C 13 176.017 0.300 . 1 . . . . 59 SER C . 10292 1 657 . 1 1 59 59 SER CA C 13 61.870 0.300 . 1 . . . . 59 SER CA . 10292 1 658 . 1 1 59 59 SER CB C 13 63.076 0.300 . 1 . . . . 59 SER CB . 10292 1 659 . 1 1 59 59 SER N N 15 114.708 0.300 . 1 . . . . 59 SER N . 10292 1 660 . 1 1 60 60 TRP H H 1 8.209 0.030 . 1 . . . . 60 TRP H . 10292 1 661 . 1 1 60 60 TRP HA H 1 4.019 0.030 . 1 . . . . 60 TRP HA . 10292 1 662 . 1 1 60 60 TRP HB2 H 1 3.276 0.030 . 2 . . . . 60 TRP HB2 . 10292 1 663 . 1 1 60 60 TRP HB3 H 1 3.660 0.030 . 2 . . . . 60 TRP HB3 . 10292 1 664 . 1 1 60 60 TRP HD1 H 1 7.090 0.030 . 1 . . . . 60 TRP HD1 . 10292 1 665 . 1 1 60 60 TRP HE1 H 1 9.967 0.030 . 1 . . . . 60 TRP HE1 . 10292 1 666 . 1 1 60 60 TRP HE3 H 1 6.752 0.030 . 1 . . . . 60 TRP HE3 . 10292 1 667 . 1 1 60 60 TRP HH2 H 1 6.588 0.030 . 1 . . . . 60 TRP HH2 . 10292 1 668 . 1 1 60 60 TRP HZ2 H 1 7.271 0.030 . 1 . . . . 60 TRP HZ2 . 10292 1 669 . 1 1 60 60 TRP HZ3 H 1 5.713 0.030 . 1 . . . . 60 TRP HZ3 . 10292 1 670 . 1 1 60 60 TRP C C 13 179.214 0.300 . 1 . . . . 60 TRP C . 10292 1 671 . 1 1 60 60 TRP CA C 13 62.981 0.300 . 1 . . . . 60 TRP CA . 10292 1 672 . 1 1 60 60 TRP CB C 13 28.693 0.300 . 1 . . . . 60 TRP CB . 10292 1 673 . 1 1 60 60 TRP CD1 C 13 126.021 0.300 . 1 . . . . 60 TRP CD1 . 10292 1 674 . 1 1 60 60 TRP CE3 C 13 121.069 0.300 . 1 . . . . 60 TRP CE3 . 10292 1 675 . 1 1 60 60 TRP CH2 C 13 124.200 0.300 . 1 . . . . 60 TRP CH2 . 10292 1 676 . 1 1 60 60 TRP CZ2 C 13 114.041 0.300 . 1 . . . . 60 TRP CZ2 . 10292 1 677 . 1 1 60 60 TRP CZ3 C 13 121.197 0.300 . 1 . . . . 60 TRP CZ3 . 10292 1 678 . 1 1 60 60 TRP N N 15 123.289 0.300 . 1 . . . . 60 TRP N . 10292 1 679 . 1 1 60 60 TRP NE1 N 15 128.317 0.300 . 1 . . . . 60 TRP NE1 . 10292 1 680 . 1 1 61 61 PHE H H 1 8.941 0.030 . 1 . . . . 61 PHE H . 10292 1 681 . 1 1 61 61 PHE HA H 1 3.798 0.030 . 1 . . . . 61 PHE HA . 10292 1 682 . 1 1 61 61 PHE HB2 H 1 3.226 0.030 . 2 . . . . 61 PHE HB2 . 10292 1 683 . 1 1 61 61 PHE HB3 H 1 3.457 0.030 . 2 . . . . 61 PHE HB3 . 10292 1 684 . 1 1 61 61 PHE HD1 H 1 7.807 0.030 . 1 . . . . 61 PHE HD1 . 10292 1 685 . 1 1 61 61 PHE HD2 H 1 7.807 0.030 . 1 . . . . 61 PHE HD2 . 10292 1 686 . 1 1 61 61 PHE HE1 H 1 7.488 0.030 . 1 . . . . 61 PHE HE1 . 10292 1 687 . 1 1 61 61 PHE HE2 H 1 7.488 0.030 . 1 . . . . 61 PHE HE2 . 10292 1 688 . 1 1 61 61 PHE HZ H 1 7.588 0.030 . 1 . . . . 61 PHE HZ . 10292 1 689 . 1 1 61 61 PHE C C 13 178.097 0.300 . 1 . . . . 61 PHE C . 10292 1 690 . 1 1 61 61 PHE CA C 13 63.866 0.300 . 1 . . . . 61 PHE CA . 10292 1 691 . 1 1 61 61 PHE CB C 13 39.642 0.300 . 1 . . . . 61 PHE CB . 10292 1 692 . 1 1 61 61 PHE CD1 C 13 131.945 0.300 . 1 . . . . 61 PHE CD1 . 10292 1 693 . 1 1 61 61 PHE CD2 C 13 131.945 0.300 . 1 . . . . 61 PHE CD2 . 10292 1 694 . 1 1 61 61 PHE CE1 C 13 131.886 0.300 . 1 . . . . 61 PHE CE1 . 10292 1 695 . 1 1 61 61 PHE CE2 C 13 131.886 0.300 . 1 . . . . 61 PHE CE2 . 10292 1 696 . 1 1 61 61 PHE CZ C 13 130.384 0.300 . 1 . . . . 61 PHE CZ . 10292 1 697 . 1 1 61 61 PHE N N 15 118.838 0.300 . 1 . . . . 61 PHE N . 10292 1 698 . 1 1 62 62 SER H H 1 8.179 0.030 . 1 . . . . 62 SER H . 10292 1 699 . 1 1 62 62 SER HA H 1 4.134 0.030 . 1 . . . . 62 SER HA . 10292 1 700 . 1 1 62 62 SER HB2 H 1 4.085 0.030 . 1 . . . . 62 SER HB2 . 10292 1 701 . 1 1 62 62 SER HB3 H 1 4.085 0.030 . 1 . . . . 62 SER HB3 . 10292 1 702 . 1 1 62 62 SER C C 13 177.996 0.300 . 1 . . . . 62 SER C . 10292 1 703 . 1 1 62 62 SER CA C 13 62.064 0.300 . 1 . . . . 62 SER CA . 10292 1 704 . 1 1 62 62 SER CB C 13 62.890 0.300 . 1 . . . . 62 SER CB . 10292 1 705 . 1 1 62 62 SER N N 15 113.145 0.300 . 1 . . . . 62 SER N . 10292 1 706 . 1 1 63 63 GLU H H 1 8.027 0.030 . 1 . . . . 63 GLU H . 10292 1 707 . 1 1 63 63 GLU HA H 1 3.910 0.030 . 1 . . . . 63 GLU HA . 10292 1 708 . 1 1 63 63 GLU HB2 H 1 1.855 0.030 . 1 . . . . 63 GLU HB2 . 10292 1 709 . 1 1 63 63 GLU HB3 H 1 1.855 0.030 . 1 . . . . 63 GLU HB3 . 10292 1 710 . 1 1 63 63 GLU HG2 H 1 2.248 0.030 . 2 . . . . 63 GLU HG2 . 10292 1 711 . 1 1 63 63 GLU C C 13 178.729 0.300 . 1 . . . . 63 GLU C . 10292 1 712 . 1 1 63 63 GLU CA C 13 58.637 0.300 . 1 . . . . 63 GLU CA . 10292 1 713 . 1 1 63 63 GLU CB C 13 29.188 0.300 . 1 . . . . 63 GLU CB . 10292 1 714 . 1 1 63 63 GLU CG C 13 36.088 0.300 . 1 . . . . 63 GLU CG . 10292 1 715 . 1 1 63 63 GLU N N 15 120.533 0.300 . 1 . . . . 63 GLU N . 10292 1 716 . 1 1 64 64 ARG H H 1 8.166 0.030 . 1 . . . . 64 ARG H . 10292 1 717 . 1 1 64 64 ARG HA H 1 3.498 0.030 . 1 . . . . 64 ARG HA . 10292 1 718 . 1 1 64 64 ARG HB2 H 1 -0.232 0.030 . 2 . . . . 64 ARG HB2 . 10292 1 719 . 1 1 64 64 ARG HB3 H 1 0.708 0.030 . 2 . . . . 64 ARG HB3 . 10292 1 720 . 1 1 64 64 ARG HD2 H 1 2.038 0.030 . 2 . . . . 64 ARG HD2 . 10292 1 721 . 1 1 64 64 ARG HD3 H 1 2.440 0.030 . 2 . . . . 64 ARG HD3 . 10292 1 722 . 1 1 64 64 ARG HE H 1 9.300 0.030 . 1 . . . . 64 ARG HE . 10292 1 723 . 1 1 64 64 ARG HG2 H 1 -0.566 0.030 . 2 . . . . 64 ARG HG2 . 10292 1 724 . 1 1 64 64 ARG HG3 H 1 -0.178 0.030 . 2 . . . . 64 ARG HG3 . 10292 1 725 . 1 1 64 64 ARG C C 13 179.466 0.300 . 1 . . . . 64 ARG C . 10292 1 726 . 1 1 64 64 ARG CA C 13 56.502 0.300 . 1 . . . . 64 ARG CA . 10292 1 727 . 1 1 64 64 ARG CB C 13 28.148 0.300 . 1 . . . . 64 ARG CB . 10292 1 728 . 1 1 64 64 ARG CD C 13 40.540 0.300 . 1 . . . . 64 ARG CD . 10292 1 729 . 1 1 64 64 ARG CG C 13 24.077 0.300 . 1 . . . . 64 ARG CG . 10292 1 730 . 1 1 64 64 ARG N N 15 122.505 0.300 . 1 . . . . 64 ARG N . 10292 1 731 . 1 1 64 64 ARG NE N 15 88.197 0.300 . 1 . . . . 64 ARG NE . 10292 1 732 . 1 1 65 65 ARG H H 1 8.002 0.030 . 1 . . . . 65 ARG H . 10292 1 733 . 1 1 65 65 ARG HA H 1 4.086 0.030 . 1 . . . . 65 ARG HA . 10292 1 734 . 1 1 65 65 ARG HB2 H 1 2.097 0.030 . 2 . . . . 65 ARG HB2 . 10292 1 735 . 1 1 65 65 ARG HB3 H 1 1.916 0.030 . 2 . . . . 65 ARG HB3 . 10292 1 736 . 1 1 65 65 ARG HD2 H 1 2.939 0.030 . 2 . . . . 65 ARG HD2 . 10292 1 737 . 1 1 65 65 ARG HD3 H 1 2.706 0.030 . 2 . . . . 65 ARG HD3 . 10292 1 738 . 1 1 65 65 ARG HG2 H 1 1.588 0.030 . 2 . . . . 65 ARG HG2 . 10292 1 739 . 1 1 65 65 ARG HG3 H 1 2.294 0.030 . 2 . . . . 65 ARG HG3 . 10292 1 740 . 1 1 65 65 ARG C C 13 177.832 0.300 . 1 . . . . 65 ARG C . 10292 1 741 . 1 1 65 65 ARG CA C 13 60.054 0.300 . 1 . . . . 65 ARG CA . 10292 1 742 . 1 1 65 65 ARG CB C 13 31.425 0.300 . 1 . . . . 65 ARG CB . 10292 1 743 . 1 1 65 65 ARG CD C 13 43.985 0.300 . 1 . . . . 65 ARG CD . 10292 1 744 . 1 1 65 65 ARG CG C 13 30.707 0.300 . 1 . . . . 65 ARG CG . 10292 1 745 . 1 1 65 65 ARG N N 15 117.887 0.300 . 1 . . . . 65 ARG N . 10292 1 746 . 1 1 66 66 LYS H H 1 7.356 0.030 . 1 . . . . 66 LYS H . 10292 1 747 . 1 1 66 66 LYS HA H 1 4.141 0.030 . 1 . . . . 66 LYS HA . 10292 1 748 . 1 1 66 66 LYS HB2 H 1 1.894 0.030 . 1 . . . . 66 LYS HB2 . 10292 1 749 . 1 1 66 66 LYS HB3 H 1 1.894 0.030 . 1 . . . . 66 LYS HB3 . 10292 1 750 . 1 1 66 66 LYS HD2 H 1 1.691 0.030 . 2 . . . . 66 LYS HD2 . 10292 1 751 . 1 1 66 66 LYS HE2 H 1 2.947 0.030 . 2 . . . . 66 LYS HE2 . 10292 1 752 . 1 1 66 66 LYS HG2 H 1 1.422 0.030 . 2 . . . . 66 LYS HG2 . 10292 1 753 . 1 1 66 66 LYS C C 13 178.353 0.300 . 1 . . . . 66 LYS C . 10292 1 754 . 1 1 66 66 LYS CA C 13 58.444 0.300 . 1 . . . . 66 LYS CA . 10292 1 755 . 1 1 66 66 LYS CB C 13 32.288 0.300 . 1 . . . . 66 LYS CB . 10292 1 756 . 1 1 66 66 LYS CD C 13 29.528 0.300 . 1 . . . . 66 LYS CD . 10292 1 757 . 1 1 66 66 LYS CE C 13 42.082 0.300 . 1 . . . . 66 LYS CE . 10292 1 758 . 1 1 66 66 LYS CG C 13 25.176 0.300 . 1 . . . . 66 LYS CG . 10292 1 759 . 1 1 66 66 LYS N N 15 118.479 0.300 . 1 . . . . 66 LYS N . 10292 1 760 . 1 1 67 67 LEU H H 1 7.604 0.030 . 1 . . . . 67 LEU H . 10292 1 761 . 1 1 67 67 LEU HA H 1 4.143 0.030 . 1 . . . . 67 LEU HA . 10292 1 762 . 1 1 67 67 LEU HB2 H 1 1.592 0.030 . 1 . . . . 67 LEU HB2 . 10292 1 763 . 1 1 67 67 LEU HB3 H 1 1.592 0.030 . 1 . . . . 67 LEU HB3 . 10292 1 764 . 1 1 67 67 LEU HD11 H 1 0.788 0.030 . 1 . . . . 67 LEU HD1 . 10292 1 765 . 1 1 67 67 LEU HD12 H 1 0.788 0.030 . 1 . . . . 67 LEU HD1 . 10292 1 766 . 1 1 67 67 LEU HD13 H 1 0.788 0.030 . 1 . . . . 67 LEU HD1 . 10292 1 767 . 1 1 67 67 LEU HD21 H 1 0.822 0.030 . 1 . . . . 67 LEU HD2 . 10292 1 768 . 1 1 67 67 LEU HD22 H 1 0.822 0.030 . 1 . . . . 67 LEU HD2 . 10292 1 769 . 1 1 67 67 LEU HD23 H 1 0.822 0.030 . 1 . . . . 67 LEU HD2 . 10292 1 770 . 1 1 67 67 LEU HG H 1 1.584 0.030 . 1 . . . . 67 LEU HG . 10292 1 771 . 1 1 67 67 LEU C C 13 178.510 0.300 . 1 . . . . 67 LEU C . 10292 1 772 . 1 1 67 67 LEU CA C 13 56.712 0.300 . 1 . . . . 67 LEU CA . 10292 1 773 . 1 1 67 67 LEU CB C 13 41.857 0.300 . 1 . . . . 67 LEU CB . 10292 1 774 . 1 1 67 67 LEU CD1 C 13 23.998 0.300 . 2 . . . . 67 LEU CD1 . 10292 1 775 . 1 1 67 67 LEU CD2 C 13 24.420 0.300 . 2 . . . . 67 LEU CD2 . 10292 1 776 . 1 1 67 67 LEU CG C 13 26.706 0.300 . 1 . . . . 67 LEU CG . 10292 1 777 . 1 1 67 67 LEU N N 15 120.424 0.300 . 1 . . . . 67 LEU N . 10292 1 778 . 1 1 68 68 ARG H H 1 7.914 0.030 . 1 . . . . 68 ARG H . 10292 1 779 . 1 1 68 68 ARG HA H 1 4.262 0.030 . 1 . . . . 68 ARG HA . 10292 1 780 . 1 1 68 68 ARG HB2 H 1 1.857 0.030 . 2 . . . . 68 ARG HB2 . 10292 1 781 . 1 1 68 68 ARG HB3 H 1 2.121 0.030 . 2 . . . . 68 ARG HB3 . 10292 1 782 . 1 1 68 68 ARG HD2 H 1 3.284 0.030 . 2 . . . . 68 ARG HD2 . 10292 1 783 . 1 1 68 68 ARG HD3 H 1 3.312 0.030 . 2 . . . . 68 ARG HD3 . 10292 1 784 . 1 1 68 68 ARG HG2 H 1 1.726 0.030 . 2 . . . . 68 ARG HG2 . 10292 1 785 . 1 1 68 68 ARG HG3 H 1 1.869 0.030 . 2 . . . . 68 ARG HG3 . 10292 1 786 . 1 1 68 68 ARG C C 13 177.396 0.300 . 1 . . . . 68 ARG C . 10292 1 787 . 1 1 68 68 ARG CA C 13 57.589 0.300 . 1 . . . . 68 ARG CA . 10292 1 788 . 1 1 68 68 ARG CB C 13 30.211 0.300 . 1 . . . . 68 ARG CB . 10292 1 789 . 1 1 68 68 ARG CD C 13 43.459 0.300 . 1 . . . . 68 ARG CD . 10292 1 790 . 1 1 68 68 ARG CG C 13 26.541 0.300 . 1 . . . . 68 ARG CG . 10292 1 791 . 1 1 68 68 ARG N N 15 120.638 0.300 . 1 . . . . 68 ARG N . 10292 1 792 . 1 1 69 69 ASP H H 1 8.337 0.030 . 1 . . . . 69 ASP H . 10292 1 793 . 1 1 69 69 ASP HA H 1 4.592 0.030 . 1 . . . . 69 ASP HA . 10292 1 794 . 1 1 69 69 ASP HB2 H 1 2.784 0.030 . 2 . . . . 69 ASP HB2 . 10292 1 795 . 1 1 69 69 ASP HB3 H 1 2.724 0.030 . 2 . . . . 69 ASP HB3 . 10292 1 796 . 1 1 69 69 ASP C C 13 176.826 0.300 . 1 . . . . 69 ASP C . 10292 1 797 . 1 1 69 69 ASP CA C 13 55.527 0.300 . 1 . . . . 69 ASP CA . 10292 1 798 . 1 1 69 69 ASP CB C 13 40.833 0.300 . 1 . . . . 69 ASP CB . 10292 1 799 . 1 1 69 69 ASP N N 15 119.845 0.300 . 1 . . . . 69 ASP N . 10292 1 800 . 1 1 70 70 SER H H 1 8.002 0.030 . 1 . . . . 70 SER H . 10292 1 801 . 1 1 70 70 SER HA H 1 4.473 0.030 . 1 . . . . 70 SER HA . 10292 1 802 . 1 1 70 70 SER HB2 H 1 3.967 0.030 . 1 . . . . 70 SER HB2 . 10292 1 803 . 1 1 70 70 SER HB3 H 1 3.967 0.030 . 1 . . . . 70 SER HB3 . 10292 1 804 . 1 1 70 70 SER C C 13 174.524 0.300 . 1 . . . . 70 SER C . 10292 1 805 . 1 1 70 70 SER CA C 13 59.070 0.300 . 1 . . . . 70 SER CA . 10292 1 806 . 1 1 70 70 SER CB C 13 63.887 0.300 . 1 . . . . 70 SER CB . 10292 1 807 . 1 1 70 70 SER N N 15 114.740 0.300 . 1 . . . . 70 SER N . 10292 1 808 . 1 1 71 71 MET H H 1 8.117 0.030 . 1 . . . . 71 MET H . 10292 1 809 . 1 1 71 71 MET HA H 1 4.559 0.030 . 1 . . . . 71 MET HA . 10292 1 810 . 1 1 71 71 MET HB2 H 1 2.073 0.030 . 2 . . . . 71 MET HB2 . 10292 1 811 . 1 1 71 71 MET HB3 H 1 2.219 0.030 . 2 . . . . 71 MET HB3 . 10292 1 812 . 1 1 71 71 MET HE1 H 1 2.123 0.030 . 1 . . . . 71 MET HE . 10292 1 813 . 1 1 71 71 MET HE2 H 1 2.123 0.030 . 1 . . . . 71 MET HE . 10292 1 814 . 1 1 71 71 MET HE3 H 1 2.123 0.030 . 1 . . . . 71 MET HE . 10292 1 815 . 1 1 71 71 MET HG2 H 1 2.600 0.030 . 2 . . . . 71 MET HG2 . 10292 1 816 . 1 1 71 71 MET HG3 H 1 2.688 0.030 . 2 . . . . 71 MET HG3 . 10292 1 817 . 1 1 71 71 MET C C 13 175.392 0.300 . 1 . . . . 71 MET C . 10292 1 818 . 1 1 71 71 MET CA C 13 55.711 0.300 . 1 . . . . 71 MET CA . 10292 1 819 . 1 1 71 71 MET CB C 13 33.246 0.300 . 1 . . . . 71 MET CB . 10292 1 820 . 1 1 71 71 MET CE C 13 16.953 0.300 . 1 . . . . 71 MET CE . 10292 1 821 . 1 1 71 71 MET CG C 13 32.158 0.300 . 1 . . . . 71 MET CG . 10292 1 822 . 1 1 71 71 MET N N 15 121.694 0.300 . 1 . . . . 71 MET N . 10292 1 823 . 1 1 72 72 GLU HA H 1 4.245 0.030 . 1 . . . . 72 GLU HA . 10292 1 824 . 1 1 72 72 GLU HB2 H 1 2.085 0.030 . 1 . . . . 72 GLU HB2 . 10292 1 825 . 1 1 72 72 GLU HB3 H 1 2.085 0.030 . 1 . . . . 72 GLU HB3 . 10292 1 826 . 1 1 72 72 GLU HG2 H 1 2.384 0.030 . 2 . . . . 72 GLU HG2 . 10292 1 827 . 1 1 72 72 GLU C C 13 177.767 0.300 . 1 . . . . 72 GLU C . 10292 1 828 . 1 1 72 72 GLU CA C 13 57.871 0.300 . 1 . . . . 72 GLU CA . 10292 1 829 . 1 1 72 72 GLU CB C 13 29.798 0.300 . 1 . . . . 72 GLU CB . 10292 1 830 . 1 1 72 72 GLU CG C 13 36.637 0.300 . 1 . . . . 72 GLU CG . 10292 1 831 . 1 1 73 73 GLN H H 1 8.210 0.030 . 1 . . . . 73 GLN H . 10292 1 832 . 1 1 73 73 GLN HA H 1 4.177 0.030 . 1 . . . . 73 GLN HA . 10292 1 833 . 1 1 73 73 GLN HB2 H 1 2.134 0.030 . 1 . . . . 73 GLN HB2 . 10292 1 834 . 1 1 73 73 GLN HB3 H 1 2.134 0.030 . 1 . . . . 73 GLN HB3 . 10292 1 835 . 1 1 73 73 GLN HG2 H 1 2.446 0.030 . 2 . . . . 73 GLN HG2 . 10292 1 836 . 1 1 73 73 GLN C C 13 176.422 0.300 . 1 . . . . 73 GLN C . 10292 1 837 . 1 1 73 73 GLN CA C 13 56.899 0.300 . 1 . . . . 73 GLN CA . 10292 1 838 . 1 1 73 73 GLN CB C 13 28.852 0.300 . 1 . . . . 73 GLN CB . 10292 1 839 . 1 1 73 73 GLN CG C 13 33.811 0.300 . 1 . . . . 73 GLN CG . 10292 1 840 . 1 1 73 73 GLN N N 15 120.076 0.300 . 1 . . . . 73 GLN N . 10292 1 841 . 1 1 74 74 ALA H H 1 8.099 0.030 . 1 . . . . 74 ALA H . 10292 1 842 . 1 1 74 74 ALA HA H 1 4.239 0.030 . 1 . . . . 74 ALA HA . 10292 1 843 . 1 1 74 74 ALA HB1 H 1 1.472 0.030 . 1 . . . . 74 ALA HB . 10292 1 844 . 1 1 74 74 ALA HB2 H 1 1.472 0.030 . 1 . . . . 74 ALA HB . 10292 1 845 . 1 1 74 74 ALA HB3 H 1 1.472 0.030 . 1 . . . . 74 ALA HB . 10292 1 846 . 1 1 74 74 ALA C C 13 178.960 0.300 . 1 . . . . 74 ALA C . 10292 1 847 . 1 1 74 74 ALA CA C 13 53.837 0.300 . 1 . . . . 74 ALA CA . 10292 1 848 . 1 1 74 74 ALA CB C 13 18.794 0.300 . 1 . . . . 74 ALA CB . 10292 1 849 . 1 1 74 74 ALA N N 15 123.168 0.300 . 1 . . . . 74 ALA N . 10292 1 850 . 1 1 75 75 VAL H H 1 7.886 0.030 . 1 . . . . 75 VAL H . 10292 1 851 . 1 1 75 75 VAL HA H 1 3.985 0.030 . 1 . . . . 75 VAL HA . 10292 1 852 . 1 1 75 75 VAL HB H 1 2.156 0.030 . 1 . . . . 75 VAL HB . 10292 1 853 . 1 1 75 75 VAL HG11 H 1 1.033 0.030 . 1 . . . . 75 VAL HG1 . 10292 1 854 . 1 1 75 75 VAL HG12 H 1 1.033 0.030 . 1 . . . . 75 VAL HG1 . 10292 1 855 . 1 1 75 75 VAL HG13 H 1 1.033 0.030 . 1 . . . . 75 VAL HG1 . 10292 1 856 . 1 1 75 75 VAL HG21 H 1 1.043 0.030 . 1 . . . . 75 VAL HG2 . 10292 1 857 . 1 1 75 75 VAL HG22 H 1 1.043 0.030 . 1 . . . . 75 VAL HG2 . 10292 1 858 . 1 1 75 75 VAL HG23 H 1 1.043 0.030 . 1 . . . . 75 VAL HG2 . 10292 1 859 . 1 1 75 75 VAL C C 13 177.376 0.300 . 1 . . . . 75 VAL C . 10292 1 860 . 1 1 75 75 VAL CA C 13 63.895 0.300 . 1 . . . . 75 VAL CA . 10292 1 861 . 1 1 75 75 VAL CB C 13 32.450 0.300 . 1 . . . . 75 VAL CB . 10292 1 862 . 1 1 75 75 VAL CG1 C 13 21.247 0.300 . 2 . . . . 75 VAL CG1 . 10292 1 863 . 1 1 75 75 VAL CG2 C 13 20.657 0.300 . 2 . . . . 75 VAL CG2 . 10292 1 864 . 1 1 75 75 VAL N N 15 119.018 0.300 . 1 . . . . 75 VAL N . 10292 1 865 . 1 1 76 76 LEU H H 1 8.074 0.030 . 1 . . . . 76 LEU H . 10292 1 866 . 1 1 76 76 LEU HA H 1 4.291 0.030 . 1 . . . . 76 LEU HA . 10292 1 867 . 1 1 76 76 LEU HB2 H 1 1.739 0.030 . 2 . . . . 76 LEU HB2 . 10292 1 868 . 1 1 76 76 LEU HB3 H 1 1.621 0.030 . 2 . . . . 76 LEU HB3 . 10292 1 869 . 1 1 76 76 LEU HD11 H 1 0.944 0.030 . 1 . . . . 76 LEU HD1 . 10292 1 870 . 1 1 76 76 LEU HD12 H 1 0.944 0.030 . 1 . . . . 76 LEU HD1 . 10292 1 871 . 1 1 76 76 LEU HD13 H 1 0.944 0.030 . 1 . . . . 76 LEU HD1 . 10292 1 872 . 1 1 76 76 LEU HD21 H 1 0.888 0.030 . 1 . . . . 76 LEU HD2 . 10292 1 873 . 1 1 76 76 LEU HD22 H 1 0.888 0.030 . 1 . . . . 76 LEU HD2 . 10292 1 874 . 1 1 76 76 LEU HD23 H 1 0.888 0.030 . 1 . . . . 76 LEU HD2 . 10292 1 875 . 1 1 76 76 LEU HG H 1 1.746 0.030 . 1 . . . . 76 LEU HG . 10292 1 876 . 1 1 76 76 LEU C C 13 178.363 0.300 . 1 . . . . 76 LEU C . 10292 1 877 . 1 1 76 76 LEU CA C 13 56.247 0.300 . 1 . . . . 76 LEU CA . 10292 1 878 . 1 1 76 76 LEU CB C 13 42.342 0.300 . 1 . . . . 76 LEU CB . 10292 1 879 . 1 1 76 76 LEU CD1 C 13 24.904 0.300 . 2 . . . . 76 LEU CD1 . 10292 1 880 . 1 1 76 76 LEU CD2 C 13 23.449 0.300 . 2 . . . . 76 LEU CD2 . 10292 1 881 . 1 1 76 76 LEU CG C 13 27.111 0.300 . 1 . . . . 76 LEU CG . 10292 1 882 . 1 1 76 76 LEU N N 15 124.324 0.300 . 1 . . . . 76 LEU N . 10292 1 883 . 1 1 77 77 ASP H H 1 8.443 0.030 . 1 . . . . 77 ASP H . 10292 1 884 . 1 1 77 77 ASP HA H 1 4.593 0.030 . 1 . . . . 77 ASP HA . 10292 1 885 . 1 1 77 77 ASP HB2 H 1 2.705 0.030 . 1 . . . . 77 ASP HB2 . 10292 1 886 . 1 1 77 77 ASP HB3 H 1 2.705 0.030 . 1 . . . . 77 ASP HB3 . 10292 1 887 . 1 1 77 77 ASP C C 13 177.224 0.300 . 1 . . . . 77 ASP C . 10292 1 888 . 1 1 77 77 ASP CA C 13 55.364 0.300 . 1 . . . . 77 ASP CA . 10292 1 889 . 1 1 77 77 ASP CB C 13 40.970 0.300 . 1 . . . . 77 ASP CB . 10292 1 890 . 1 1 77 77 ASP N N 15 120.595 0.300 . 1 . . . . 77 ASP N . 10292 1 891 . 1 1 78 78 SER H H 1 8.121 0.030 . 1 . . . . 78 SER H . 10292 1 892 . 1 1 78 78 SER HA H 1 4.421 0.030 . 1 . . . . 78 SER HA . 10292 1 893 . 1 1 78 78 SER HB2 H 1 3.961 0.030 . 2 . . . . 78 SER HB2 . 10292 1 894 . 1 1 78 78 SER C C 13 175.244 0.300 . 1 . . . . 78 SER C . 10292 1 895 . 1 1 78 78 SER CA C 13 58.809 0.300 . 1 . . . . 78 SER CA . 10292 1 896 . 1 1 78 78 SER CB C 13 63.674 0.300 . 1 . . . . 78 SER CB . 10292 1 897 . 1 1 78 78 SER N N 15 115.700 0.300 . 1 . . . . 78 SER N . 10292 1 898 . 1 1 79 79 MET H H 1 8.202 0.030 . 1 . . . . 79 MET H . 10292 1 899 . 1 1 79 79 MET HA H 1 4.525 0.030 . 1 . . . . 79 MET HA . 10292 1 900 . 1 1 79 79 MET HB2 H 1 2.169 0.030 . 1 . . . . 79 MET HB2 . 10292 1 901 . 1 1 79 79 MET HB3 H 1 2.169 0.030 . 1 . . . . 79 MET HB3 . 10292 1 902 . 1 1 79 79 MET HG2 H 1 2.658 0.030 . 2 . . . . 79 MET HG2 . 10292 1 903 . 1 1 79 79 MET C C 13 177.199 0.300 . 1 . . . . 79 MET C . 10292 1 904 . 1 1 79 79 MET CA C 13 56.010 0.300 . 1 . . . . 79 MET CA . 10292 1 905 . 1 1 79 79 MET CB C 13 32.610 0.300 . 1 . . . . 79 MET CB . 10292 1 906 . 1 1 79 79 MET CG C 13 32.162 0.300 . 1 . . . . 79 MET CG . 10292 1 907 . 1 1 79 79 MET N N 15 121.204 0.300 . 1 . . . . 79 MET N . 10292 1 908 . 1 1 80 80 GLY H H 1 8.268 0.030 . 1 . . . . 80 GLY H . 10292 1 909 . 1 1 80 80 GLY C C 13 174.529 0.300 . 1 . . . . 80 GLY C . 10292 1 910 . 1 1 80 80 GLY CA C 13 45.637 0.300 . 1 . . . . 80 GLY CA . 10292 1 911 . 1 1 80 80 GLY N N 15 109.108 0.300 . 1 . . . . 80 GLY N . 10292 1 912 . 1 1 81 81 SER HA H 1 4.478 0.030 . 1 . . . . 81 SER HA . 10292 1 913 . 1 1 81 81 SER HB2 H 1 3.928 0.030 . 1 . . . . 81 SER HB2 . 10292 1 914 . 1 1 81 81 SER HB3 H 1 3.928 0.030 . 1 . . . . 81 SER HB3 . 10292 1 915 . 1 1 81 81 SER C C 13 175.336 0.300 . 1 . . . . 81 SER C . 10292 1 916 . 1 1 81 81 SER CA C 13 58.701 0.300 . 1 . . . . 81 SER CA . 10292 1 917 . 1 1 81 81 SER CB C 13 63.977 0.300 . 1 . . . . 81 SER CB . 10292 1 918 . 1 1 82 82 GLY H H 1 8.526 0.030 . 1 . . . . 82 GLY H . 10292 1 919 . 1 1 82 82 GLY HA2 H 1 4.018 0.030 . 1 . . . . 82 GLY HA2 . 10292 1 920 . 1 1 82 82 GLY HA3 H 1 4.018 0.030 . 1 . . . . 82 GLY HA3 . 10292 1 921 . 1 1 82 82 GLY C C 13 174.290 0.300 . 1 . . . . 82 GLY C . 10292 1 922 . 1 1 82 82 GLY CA C 13 45.485 0.300 . 1 . . . . 82 GLY CA . 10292 1 923 . 1 1 82 82 GLY N N 15 110.928 0.300 . 1 . . . . 82 GLY N . 10292 1 924 . 1 1 83 83 LYS H H 1 8.159 0.030 . 1 . . . . 83 LYS H . 10292 1 925 . 1 1 83 83 LYS C C 13 176.692 0.300 . 1 . . . . 83 LYS C . 10292 1 926 . 1 1 83 83 LYS CA C 13 56.216 0.300 . 1 . . . . 83 LYS CA . 10292 1 927 . 1 1 83 83 LYS CB C 13 33.201 0.300 . 1 . . . . 83 LYS CB . 10292 1 928 . 1 1 83 83 LYS N N 15 120.759 0.300 . 1 . . . . 83 LYS N . 10292 1 929 . 1 1 88 88 SER HA H 1 4.509 0.030 . 1 . . . . 88 SER HA . 10292 1 930 . 1 1 88 88 SER HB2 H 1 3.905 0.030 . 1 . . . . 88 SER HB2 . 10292 1 931 . 1 1 88 88 SER HB3 H 1 3.905 0.030 . 1 . . . . 88 SER HB3 . 10292 1 932 . 1 1 88 88 SER C C 13 173.946 0.300 . 1 . . . . 88 SER C . 10292 1 933 . 1 1 88 88 SER CA C 13 58.432 0.300 . 1 . . . . 88 SER CA . 10292 1 934 . 1 1 88 88 SER CB C 13 64.208 0.300 . 1 . . . . 88 SER CB . 10292 1 935 . 1 1 89 89 GLY H H 1 8.058 0.030 . 1 . . . . 89 GLY H . 10292 1 936 . 1 1 89 89 GLY C C 13 179.044 0.300 . 1 . . . . 89 GLY C . 10292 1 937 . 1 1 89 89 GLY CA C 13 46.233 0.300 . 1 . . . . 89 GLY CA . 10292 1 938 . 1 1 89 89 GLY N N 15 116.885 0.300 . 1 . . . . 89 GLY N . 10292 1 stop_ save_