data_11194 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11194 _Entry.Title ; Solution structure of the fifth SH3 domain from human KIAA0418 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-21 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-07-20 _Entry.Original_release_date 2011-07-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 K. Inoue . . . 11194 2 C. Kurosaki . . . 11194 3 M. Yoshida . . . 11194 4 F. Hayashi . . . 11194 5 S. Yokoyama . . . 11194 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11194 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11194 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 294 11194 '15N chemical shifts' 70 11194 '1H chemical shifts' 455 11194 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 . . 2011-07-20 2010-07-21 original author . 11194 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EGC 'BMRB Entry Tracking System' 11194 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11194 _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 fifth SH3 domain from human KIAA0418 protein' _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 K. Inoue . . . 11194 1 2 C. Kurosaki . . . 11194 1 3 M. Yoshida . . . 11194 1 4 F. Hayashi . . . 11194 1 5 S. Yokoyama . . . 11194 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11194 _Assembly.ID 1 _Assembly.Name 'SH3 and PX domain-containing protein 2A' _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 'SH3 domain' 1 $entity_1 A . yes native no no . . . 11194 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 yes PDB 2egc . . . . . . 11194 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11194 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGNLKDVYVSIADYE GDEETAGFQEGVSMEVLERN PNGWWYCQILDGVKPFKGWV PSNYLEKKNSGPSSG ; _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 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 2EGC . "Solution Structure Of The Fifth Sh3 Domain From Human Kiaa0418 Protein" . . . . . 100.00 75 100.00 100.00 8.21e-46 . . . . 11194 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11194 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 . 11194 1 2 . SER . 11194 1 3 . SER . 11194 1 4 . GLY . 11194 1 5 . SER . 11194 1 6 . SER . 11194 1 7 . GLY . 11194 1 8 . ASN . 11194 1 9 . LEU . 11194 1 10 . LYS . 11194 1 11 . ASP . 11194 1 12 . VAL . 11194 1 13 . TYR . 11194 1 14 . VAL . 11194 1 15 . SER . 11194 1 16 . ILE . 11194 1 17 . ALA . 11194 1 18 . ASP . 11194 1 19 . TYR . 11194 1 20 . GLU . 11194 1 21 . GLY . 11194 1 22 . ASP . 11194 1 23 . GLU . 11194 1 24 . GLU . 11194 1 25 . THR . 11194 1 26 . ALA . 11194 1 27 . GLY . 11194 1 28 . PHE . 11194 1 29 . GLN . 11194 1 30 . GLU . 11194 1 31 . GLY . 11194 1 32 . VAL . 11194 1 33 . SER . 11194 1 34 . MET . 11194 1 35 . GLU . 11194 1 36 . VAL . 11194 1 37 . LEU . 11194 1 38 . GLU . 11194 1 39 . ARG . 11194 1 40 . ASN . 11194 1 41 . PRO . 11194 1 42 . ASN . 11194 1 43 . GLY . 11194 1 44 . TRP . 11194 1 45 . TRP . 11194 1 46 . TYR . 11194 1 47 . CYS . 11194 1 48 . GLN . 11194 1 49 . ILE . 11194 1 50 . LEU . 11194 1 51 . ASP . 11194 1 52 . GLY . 11194 1 53 . VAL . 11194 1 54 . LYS . 11194 1 55 . PRO . 11194 1 56 . PHE . 11194 1 57 . LYS . 11194 1 58 . GLY . 11194 1 59 . TRP . 11194 1 60 . VAL . 11194 1 61 . PRO . 11194 1 62 . SER . 11194 1 63 . ASN . 11194 1 64 . TYR . 11194 1 65 . LEU . 11194 1 66 . GLU . 11194 1 67 . LYS . 11194 1 68 . LYS . 11194 1 69 . ASN . 11194 1 70 . SER . 11194 1 71 . GLY . 11194 1 72 . PRO . 11194 1 73 . SER . 11194 1 74 . SER . 11194 1 75 . GLY . 11194 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 11194 1 . SER 2 2 11194 1 . SER 3 3 11194 1 . GLY 4 4 11194 1 . SER 5 5 11194 1 . SER 6 6 11194 1 . GLY 7 7 11194 1 . ASN 8 8 11194 1 . LEU 9 9 11194 1 . LYS 10 10 11194 1 . ASP 11 11 11194 1 . VAL 12 12 11194 1 . TYR 13 13 11194 1 . VAL 14 14 11194 1 . SER 15 15 11194 1 . ILE 16 16 11194 1 . ALA 17 17 11194 1 . ASP 18 18 11194 1 . TYR 19 19 11194 1 . GLU 20 20 11194 1 . GLY 21 21 11194 1 . ASP 22 22 11194 1 . GLU 23 23 11194 1 . GLU 24 24 11194 1 . THR 25 25 11194 1 . ALA 26 26 11194 1 . GLY 27 27 11194 1 . PHE 28 28 11194 1 . GLN 29 29 11194 1 . GLU 30 30 11194 1 . GLY 31 31 11194 1 . VAL 32 32 11194 1 . SER 33 33 11194 1 . MET 34 34 11194 1 . GLU 35 35 11194 1 . VAL 36 36 11194 1 . LEU 37 37 11194 1 . GLU 38 38 11194 1 . ARG 39 39 11194 1 . ASN 40 40 11194 1 . PRO 41 41 11194 1 . ASN 42 42 11194 1 . GLY 43 43 11194 1 . TRP 44 44 11194 1 . TRP 45 45 11194 1 . TYR 46 46 11194 1 . CYS 47 47 11194 1 . GLN 48 48 11194 1 . ILE 49 49 11194 1 . LEU 50 50 11194 1 . ASP 51 51 11194 1 . GLY 52 52 11194 1 . VAL 53 53 11194 1 . LYS 54 54 11194 1 . PRO 55 55 11194 1 . PHE 56 56 11194 1 . LYS 57 57 11194 1 . GLY 58 58 11194 1 . TRP 59 59 11194 1 . VAL 60 60 11194 1 . PRO 61 61 11194 1 . SER 62 62 11194 1 . ASN 63 63 11194 1 . TYR 64 64 11194 1 . LEU 65 65 11194 1 . GLU 66 66 11194 1 . LYS 67 67 11194 1 . LYS 68 68 11194 1 . ASN 69 69 11194 1 . SER 70 70 11194 1 . GLY 71 71 11194 1 . PRO 72 72 11194 1 . SER 73 73 11194 1 . SER 74 74 11194 1 . GLY 75 75 11194 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 11194 _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 . . . . . . . . . . . . . . . . . . . . . 11194 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 11194 _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' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050919-09 . . . . . . 11194 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11194 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.18mM U-15N,13C-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.18 . . mM . . . . 11194 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11194 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11194 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11194 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11194 1 6 H2O . . . . . . solvent 90 . . % . . . . 11194 1 7 D2O . . . . . . solvent 10 . . % . . . . 11194 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 11194 _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 11194 1 pH 7.0 0.05 pH 11194 1 pressure 1 0.001 atm 11194 1 temperature 298 0.1 K 11194 1 stop_ save_ ############################ # Computer software used # ############################ save_Delta_NMR _Software.Sf_category software _Software.Sf_framecode Delta_NMR _Software.Entry_ID 11194 _Software.ID 1 _Software.Name 'Delta NMR' _Software.Version 4.3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID JEOL . . 11194 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11194 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11194 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20060324 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11194 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11194 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11194 _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.' . . 11194 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11194 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11194 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9807 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11194 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11194 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11194 _Software.ID 5 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11194 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11194 5 'structure solution' 11194 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 11194 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer JEOL _NMR_spectrometer.Model ECA _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 11194 _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 JEOL ECA . 800 . . . 11194 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 11194 _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11194 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11194 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 11194 _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 . . . . . . . . . 11194 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11194 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11194 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 11194 _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 15N-separated NOESY' 1 $sample_1 isotropic 11194 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11194 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Delta_NMR . . 11194 1 2 $NMRPipe . . 11194 1 3 $NMRView . . 11194 1 4 $Kujira . . 11194 1 5 $CYANA . . 11194 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 6 6 SER HA H 1 4.484 0.030 . 1 . . . . 6 SER HA . 11194 1 2 . 1 1 6 6 SER HB2 H 1 3.895 0.030 . 1 . . . . 6 SER HB2 . 11194 1 3 . 1 1 6 6 SER HB3 H 1 3.895 0.030 . 1 . . . . 6 SER HB3 . 11194 1 4 . 1 1 6 6 SER C C 13 174.832 0.300 . 1 . . . . 6 SER C . 11194 1 5 . 1 1 6 6 SER CA C 13 58.228 0.300 . 1 . . . . 6 SER CA . 11194 1 6 . 1 1 6 6 SER CB C 13 63.676 0.300 . 1 . . . . 6 SER CB . 11194 1 7 . 1 1 7 7 GLY H H 1 8.380 0.030 . 1 . . . . 7 GLY H . 11194 1 8 . 1 1 7 7 GLY HA2 H 1 3.949 0.030 . 2 . . . . 7 GLY HA2 . 11194 1 9 . 1 1 7 7 GLY HA3 H 1 4.035 0.030 . 2 . . . . 7 GLY HA3 . 11194 1 10 . 1 1 7 7 GLY C C 13 173.634 0.300 . 1 . . . . 7 GLY C . 11194 1 11 . 1 1 7 7 GLY CA C 13 45.117 0.300 . 1 . . . . 7 GLY CA . 11194 1 12 . 1 1 7 7 GLY N N 15 110.374 0.300 . 1 . . . . 7 GLY N . 11194 1 13 . 1 1 8 8 ASN H H 1 8.292 0.030 . 1 . . . . 8 ASN H . 11194 1 14 . 1 1 8 8 ASN HA H 1 4.707 0.030 . 1 . . . . 8 ASN HA . 11194 1 15 . 1 1 8 8 ASN HB2 H 1 2.722 0.030 . 2 . . . . 8 ASN HB2 . 11194 1 16 . 1 1 8 8 ASN HB3 H 1 2.821 0.030 . 2 . . . . 8 ASN HB3 . 11194 1 17 . 1 1 8 8 ASN HD21 H 1 7.582 0.030 . 2 . . . . 8 ASN HD21 . 11194 1 18 . 1 1 8 8 ASN HD22 H 1 6.894 0.030 . 2 . . . . 8 ASN HD22 . 11194 1 19 . 1 1 8 8 ASN C C 13 174.955 0.300 . 1 . . . . 8 ASN C . 11194 1 20 . 1 1 8 8 ASN CA C 13 52.970 0.300 . 1 . . . . 8 ASN CA . 11194 1 21 . 1 1 8 8 ASN CB C 13 38.766 0.300 . 1 . . . . 8 ASN CB . 11194 1 22 . 1 1 8 8 ASN N N 15 118.511 0.300 . 1 . . . . 8 ASN N . 11194 1 23 . 1 1 8 8 ASN ND2 N 15 113.103 0.300 . 1 . . . . 8 ASN ND2 . 11194 1 24 . 1 1 9 9 LEU H H 1 8.202 0.030 . 1 . . . . 9 LEU H . 11194 1 25 . 1 1 9 9 LEU HA H 1 4.312 0.030 . 1 . . . . 9 LEU HA . 11194 1 26 . 1 1 9 9 LEU HB2 H 1 1.558 0.030 . 2 . . . . 9 LEU HB2 . 11194 1 27 . 1 1 9 9 LEU HB3 H 1 1.652 0.030 . 2 . . . . 9 LEU HB3 . 11194 1 28 . 1 1 9 9 LEU HD11 H 1 0.902 0.030 . 1 . . . . 9 LEU HD1 . 11194 1 29 . 1 1 9 9 LEU HD12 H 1 0.902 0.030 . 1 . . . . 9 LEU HD1 . 11194 1 30 . 1 1 9 9 LEU HD13 H 1 0.902 0.030 . 1 . . . . 9 LEU HD1 . 11194 1 31 . 1 1 9 9 LEU HD21 H 1 0.834 0.030 . 1 . . . . 9 LEU HD2 . 11194 1 32 . 1 1 9 9 LEU HD22 H 1 0.834 0.030 . 1 . . . . 9 LEU HD2 . 11194 1 33 . 1 1 9 9 LEU HD23 H 1 0.834 0.030 . 1 . . . . 9 LEU HD2 . 11194 1 34 . 1 1 9 9 LEU HG H 1 1.598 0.030 . 1 . . . . 9 LEU HG . 11194 1 35 . 1 1 9 9 LEU C C 13 177.090 0.300 . 1 . . . . 9 LEU C . 11194 1 36 . 1 1 9 9 LEU CA C 13 55.059 0.300 . 1 . . . . 9 LEU CA . 11194 1 37 . 1 1 9 9 LEU CB C 13 41.977 0.300 . 1 . . . . 9 LEU CB . 11194 1 38 . 1 1 9 9 LEU CD1 C 13 24.823 0.300 . 2 . . . . 9 LEU CD1 . 11194 1 39 . 1 1 9 9 LEU CD2 C 13 23.194 0.300 . 2 . . . . 9 LEU CD2 . 11194 1 40 . 1 1 9 9 LEU CG C 13 26.761 0.300 . 1 . . . . 9 LEU CG . 11194 1 41 . 1 1 9 9 LEU N N 15 122.318 0.300 . 1 . . . . 9 LEU N . 11194 1 42 . 1 1 10 10 LYS H H 1 8.368 0.030 . 1 . . . . 10 LYS H . 11194 1 43 . 1 1 10 10 LYS HA H 1 4.327 0.030 . 1 . . . . 10 LYS HA . 11194 1 44 . 1 1 10 10 LYS HB2 H 1 1.718 0.030 . 1 . . . . 10 LYS HB2 . 11194 1 45 . 1 1 10 10 LYS HB3 H 1 1.718 0.030 . 1 . . . . 10 LYS HB3 . 11194 1 46 . 1 1 10 10 LYS HD2 H 1 1.608 0.030 . 1 . . . . 10 LYS HD2 . 11194 1 47 . 1 1 10 10 LYS HD3 H 1 1.608 0.030 . 1 . . . . 10 LYS HD3 . 11194 1 48 . 1 1 10 10 LYS HE2 H 1 2.948 0.030 . 1 . . . . 10 LYS HE2 . 11194 1 49 . 1 1 10 10 LYS HE3 H 1 2.948 0.030 . 1 . . . . 10 LYS HE3 . 11194 1 50 . 1 1 10 10 LYS HG2 H 1 1.362 0.030 . 2 . . . . 10 LYS HG2 . 11194 1 51 . 1 1 10 10 LYS HG3 H 1 1.400 0.030 . 2 . . . . 10 LYS HG3 . 11194 1 52 . 1 1 10 10 LYS C C 13 175.785 0.300 . 1 . . . . 10 LYS C . 11194 1 53 . 1 1 10 10 LYS CA C 13 55.937 0.300 . 1 . . . . 10 LYS CA . 11194 1 54 . 1 1 10 10 LYS CB C 13 33.311 0.300 . 1 . . . . 10 LYS CB . 11194 1 55 . 1 1 10 10 LYS CD C 13 28.788 0.300 . 1 . . . . 10 LYS CD . 11194 1 56 . 1 1 10 10 LYS CE C 13 41.983 0.300 . 1 . . . . 10 LYS CE . 11194 1 57 . 1 1 10 10 LYS CG C 13 24.537 0.300 . 1 . . . . 10 LYS CG . 11194 1 58 . 1 1 10 10 LYS N N 15 121.717 0.300 . 1 . . . . 10 LYS N . 11194 1 59 . 1 1 11 11 ASP H H 1 8.756 0.030 . 1 . . . . 11 ASP H . 11194 1 60 . 1 1 11 11 ASP HA H 1 4.771 0.030 . 1 . . . . 11 ASP HA . 11194 1 61 . 1 1 11 11 ASP HB2 H 1 2.561 0.030 . 2 . . . . 11 ASP HB2 . 11194 1 62 . 1 1 11 11 ASP HB3 H 1 2.921 0.030 . 2 . . . . 11 ASP HB3 . 11194 1 63 . 1 1 11 11 ASP C C 13 174.494 0.300 . 1 . . . . 11 ASP C . 11194 1 64 . 1 1 11 11 ASP CA C 13 53.839 0.300 . 1 . . . . 11 ASP CA . 11194 1 65 . 1 1 11 11 ASP CB C 13 41.108 0.300 . 1 . . . . 11 ASP CB . 11194 1 66 . 1 1 11 11 ASP N N 15 123.325 0.300 . 1 . . . . 11 ASP N . 11194 1 67 . 1 1 12 12 VAL H H 1 7.951 0.030 . 1 . . . . 12 VAL H . 11194 1 68 . 1 1 12 12 VAL HA H 1 4.885 0.030 . 1 . . . . 12 VAL HA . 11194 1 69 . 1 1 12 12 VAL HB H 1 1.912 0.030 . 1 . . . . 12 VAL HB . 11194 1 70 . 1 1 12 12 VAL HG11 H 1 0.904 0.030 . 1 . . . . 12 VAL HG1 . 11194 1 71 . 1 1 12 12 VAL HG12 H 1 0.904 0.030 . 1 . . . . 12 VAL HG1 . 11194 1 72 . 1 1 12 12 VAL HG13 H 1 0.904 0.030 . 1 . . . . 12 VAL HG1 . 11194 1 73 . 1 1 12 12 VAL HG21 H 1 0.918 0.030 . 1 . . . . 12 VAL HG2 . 11194 1 74 . 1 1 12 12 VAL HG22 H 1 0.918 0.030 . 1 . . . . 12 VAL HG2 . 11194 1 75 . 1 1 12 12 VAL HG23 H 1 0.918 0.030 . 1 . . . . 12 VAL HG2 . 11194 1 76 . 1 1 12 12 VAL C C 13 175.278 0.300 . 1 . . . . 12 VAL C . 11194 1 77 . 1 1 12 12 VAL CA C 13 61.949 0.300 . 1 . . . . 12 VAL CA . 11194 1 78 . 1 1 12 12 VAL CB C 13 33.215 0.300 . 1 . . . . 12 VAL CB . 11194 1 79 . 1 1 12 12 VAL CG1 C 13 21.868 0.300 . 2 . . . . 12 VAL CG1 . 11194 1 80 . 1 1 12 12 VAL CG2 C 13 21.731 0.300 . 2 . . . . 12 VAL CG2 . 11194 1 81 . 1 1 12 12 VAL N N 15 121.414 0.300 . 1 . . . . 12 VAL N . 11194 1 82 . 1 1 13 13 TYR H H 1 9.305 0.030 . 1 . . . . 13 TYR H . 11194 1 83 . 1 1 13 13 TYR HA H 1 4.960 0.030 . 1 . . . . 13 TYR HA . 11194 1 84 . 1 1 13 13 TYR HB2 H 1 2.675 0.030 . 2 . . . . 13 TYR HB2 . 11194 1 85 . 1 1 13 13 TYR HB3 H 1 2.818 0.030 . 2 . . . . 13 TYR HB3 . 11194 1 86 . 1 1 13 13 TYR HD1 H 1 6.929 0.030 . 1 . . . . 13 TYR HD1 . 11194 1 87 . 1 1 13 13 TYR HD2 H 1 6.929 0.030 . 1 . . . . 13 TYR HD2 . 11194 1 88 . 1 1 13 13 TYR HE1 H 1 6.895 0.030 . 1 . . . . 13 TYR HE1 . 11194 1 89 . 1 1 13 13 TYR HE2 H 1 6.895 0.030 . 1 . . . . 13 TYR HE2 . 11194 1 90 . 1 1 13 13 TYR C C 13 173.435 0.300 . 1 . . . . 13 TYR C . 11194 1 91 . 1 1 13 13 TYR CA C 13 56.472 0.300 . 1 . . . . 13 TYR CA . 11194 1 92 . 1 1 13 13 TYR CB C 13 43.184 0.300 . 1 . . . . 13 TYR CB . 11194 1 93 . 1 1 13 13 TYR CD1 C 13 133.130 0.300 . 1 . . . . 13 TYR CD1 . 11194 1 94 . 1 1 13 13 TYR CD2 C 13 133.130 0.300 . 1 . . . . 13 TYR CD2 . 11194 1 95 . 1 1 13 13 TYR CE1 C 13 117.887 0.300 . 1 . . . . 13 TYR CE1 . 11194 1 96 . 1 1 13 13 TYR CE2 C 13 117.887 0.300 . 1 . . . . 13 TYR CE2 . 11194 1 97 . 1 1 13 13 TYR N N 15 128.571 0.300 . 1 . . . . 13 TYR N . 11194 1 98 . 1 1 14 14 VAL H H 1 9.466 0.030 . 1 . . . . 14 VAL H . 11194 1 99 . 1 1 14 14 VAL HA H 1 5.460 0.030 . 1 . . . . 14 VAL HA . 11194 1 100 . 1 1 14 14 VAL HB H 1 1.794 0.030 . 1 . . . . 14 VAL HB . 11194 1 101 . 1 1 14 14 VAL HG11 H 1 0.859 0.030 . 1 . . . . 14 VAL HG1 . 11194 1 102 . 1 1 14 14 VAL HG12 H 1 0.859 0.030 . 1 . . . . 14 VAL HG1 . 11194 1 103 . 1 1 14 14 VAL HG13 H 1 0.859 0.030 . 1 . . . . 14 VAL HG1 . 11194 1 104 . 1 1 14 14 VAL HG21 H 1 0.859 0.030 . 1 . . . . 14 VAL HG2 . 11194 1 105 . 1 1 14 14 VAL HG22 H 1 0.859 0.030 . 1 . . . . 14 VAL HG2 . 11194 1 106 . 1 1 14 14 VAL HG23 H 1 0.859 0.030 . 1 . . . . 14 VAL HG2 . 11194 1 107 . 1 1 14 14 VAL C C 13 175.324 0.300 . 1 . . . . 14 VAL C . 11194 1 108 . 1 1 14 14 VAL CA C 13 58.390 0.300 . 1 . . . . 14 VAL CA . 11194 1 109 . 1 1 14 14 VAL CB C 13 35.417 0.300 . 1 . . . . 14 VAL CB . 11194 1 110 . 1 1 14 14 VAL CG1 C 13 20.388 0.300 . 1 . . . . 14 VAL CG1 . 11194 1 111 . 1 1 14 14 VAL CG2 C 13 20.388 0.300 . 1 . . . . 14 VAL CG2 . 11194 1 112 . 1 1 14 14 VAL N N 15 117.377 0.300 . 1 . . . . 14 VAL N . 11194 1 113 . 1 1 15 15 SER H H 1 8.921 0.030 . 1 . . . . 15 SER H . 11194 1 114 . 1 1 15 15 SER HA H 1 5.294 0.030 . 1 . . . . 15 SER HA . 11194 1 115 . 1 1 15 15 SER HB2 H 1 3.866 0.030 . 2 . . . . 15 SER HB2 . 11194 1 116 . 1 1 15 15 SER HB3 H 1 4.540 0.030 . 2 . . . . 15 SER HB3 . 11194 1 117 . 1 1 15 15 SER C C 13 178.273 0.300 . 1 . . . . 15 SER C . 11194 1 118 . 1 1 15 15 SER CA C 13 56.736 0.300 . 1 . . . . 15 SER CA . 11194 1 119 . 1 1 15 15 SER CB C 13 64.953 0.300 . 1 . . . . 15 SER CB . 11194 1 120 . 1 1 15 15 SER N N 15 118.214 0.300 . 1 . . . . 15 SER N . 11194 1 121 . 1 1 16 16 ILE H H 1 9.075 0.030 . 1 . . . . 16 ILE H . 11194 1 122 . 1 1 16 16 ILE HA H 1 4.581 0.030 . 1 . . . . 16 ILE HA . 11194 1 123 . 1 1 16 16 ILE HB H 1 2.274 0.030 . 1 . . . . 16 ILE HB . 11194 1 124 . 1 1 16 16 ILE HD11 H 1 0.756 0.030 . 1 . . . . 16 ILE HD1 . 11194 1 125 . 1 1 16 16 ILE HD12 H 1 0.756 0.030 . 1 . . . . 16 ILE HD1 . 11194 1 126 . 1 1 16 16 ILE HD13 H 1 0.756 0.030 . 1 . . . . 16 ILE HD1 . 11194 1 127 . 1 1 16 16 ILE HG12 H 1 1.010 0.030 . 2 . . . . 16 ILE HG12 . 11194 1 128 . 1 1 16 16 ILE HG13 H 1 1.075 0.030 . 2 . . . . 16 ILE HG13 . 11194 1 129 . 1 1 16 16 ILE HG21 H 1 0.881 0.030 . 1 . . . . 16 ILE HG2 . 11194 1 130 . 1 1 16 16 ILE HG22 H 1 0.881 0.030 . 1 . . . . 16 ILE HG2 . 11194 1 131 . 1 1 16 16 ILE HG23 H 1 0.881 0.030 . 1 . . . . 16 ILE HG2 . 11194 1 132 . 1 1 16 16 ILE C C 13 174.494 0.300 . 1 . . . . 16 ILE C . 11194 1 133 . 1 1 16 16 ILE CA C 13 60.435 0.300 . 1 . . . . 16 ILE CA . 11194 1 134 . 1 1 16 16 ILE CB C 13 38.195 0.300 . 1 . . . . 16 ILE CB . 11194 1 135 . 1 1 16 16 ILE CD1 C 13 14.009 0.300 . 1 . . . . 16 ILE CD1 . 11194 1 136 . 1 1 16 16 ILE CG1 C 13 26.196 0.300 . 1 . . . . 16 ILE CG1 . 11194 1 137 . 1 1 16 16 ILE CG2 C 13 19.588 0.300 . 1 . . . . 16 ILE CG2 . 11194 1 138 . 1 1 16 16 ILE N N 15 118.199 0.300 . 1 . . . . 16 ILE N . 11194 1 139 . 1 1 17 17 ALA H H 1 7.988 0.030 . 1 . . . . 17 ALA H . 11194 1 140 . 1 1 17 17 ALA HA H 1 4.544 0.030 . 1 . . . . 17 ALA HA . 11194 1 141 . 1 1 17 17 ALA HB1 H 1 1.397 0.030 . 1 . . . . 17 ALA HB . 11194 1 142 . 1 1 17 17 ALA HB2 H 1 1.397 0.030 . 1 . . . . 17 ALA HB . 11194 1 143 . 1 1 17 17 ALA HB3 H 1 1.397 0.030 . 1 . . . . 17 ALA HB . 11194 1 144 . 1 1 17 17 ALA C C 13 174.356 0.300 . 1 . . . . 17 ALA C . 11194 1 145 . 1 1 17 17 ALA CA C 13 51.102 0.300 . 1 . . . . 17 ALA CA . 11194 1 146 . 1 1 17 17 ALA CB C 13 22.000 0.300 . 1 . . . . 17 ALA CB . 11194 1 147 . 1 1 17 17 ALA N N 15 121.349 0.300 . 1 . . . . 17 ALA N . 11194 1 148 . 1 1 18 18 ASP H H 1 8.382 0.030 . 1 . . . . 18 ASP H . 11194 1 149 . 1 1 18 18 ASP HA H 1 4.688 0.030 . 1 . . . . 18 ASP HA . 11194 1 150 . 1 1 18 18 ASP HB2 H 1 2.598 0.030 . 2 . . . . 18 ASP HB2 . 11194 1 151 . 1 1 18 18 ASP HB3 H 1 2.653 0.030 . 2 . . . . 18 ASP HB3 . 11194 1 152 . 1 1 18 18 ASP C C 13 174.894 0.300 . 1 . . . . 18 ASP C . 11194 1 153 . 1 1 18 18 ASP CA C 13 53.980 0.300 . 1 . . . . 18 ASP CA . 11194 1 154 . 1 1 18 18 ASP CB C 13 41.425 0.300 . 1 . . . . 18 ASP CB . 11194 1 155 . 1 1 18 18 ASP N N 15 117.390 0.300 . 1 . . . . 18 ASP N . 11194 1 156 . 1 1 19 19 TYR H H 1 8.472 0.030 . 1 . . . . 19 TYR H . 11194 1 157 . 1 1 19 19 TYR HA H 1 4.588 0.030 . 1 . . . . 19 TYR HA . 11194 1 158 . 1 1 19 19 TYR HB2 H 1 1.806 0.030 . 2 . . . . 19 TYR HB2 . 11194 1 159 . 1 1 19 19 TYR HB3 H 1 0.833 0.030 . 2 . . . . 19 TYR HB3 . 11194 1 160 . 1 1 19 19 TYR HD1 H 1 6.647 0.030 . 1 . . . . 19 TYR HD1 . 11194 1 161 . 1 1 19 19 TYR HD2 H 1 6.647 0.030 . 1 . . . . 19 TYR HD2 . 11194 1 162 . 1 1 19 19 TYR HE1 H 1 6.768 0.030 . 1 . . . . 19 TYR HE1 . 11194 1 163 . 1 1 19 19 TYR HE2 H 1 6.768 0.030 . 1 . . . . 19 TYR HE2 . 11194 1 164 . 1 1 19 19 TYR C C 13 175.017 0.300 . 1 . . . . 19 TYR C . 11194 1 165 . 1 1 19 19 TYR CA C 13 55.577 0.300 . 1 . . . . 19 TYR CA . 11194 1 166 . 1 1 19 19 TYR CB C 13 40.791 0.300 . 1 . . . . 19 TYR CB . 11194 1 167 . 1 1 19 19 TYR CD1 C 13 133.235 0.300 . 1 . . . . 19 TYR CD1 . 11194 1 168 . 1 1 19 19 TYR CD2 C 13 133.235 0.300 . 1 . . . . 19 TYR CD2 . 11194 1 169 . 1 1 19 19 TYR CE1 C 13 117.362 0.300 . 1 . . . . 19 TYR CE1 . 11194 1 170 . 1 1 19 19 TYR CE2 C 13 117.362 0.300 . 1 . . . . 19 TYR CE2 . 11194 1 171 . 1 1 19 19 TYR N N 15 122.149 0.300 . 1 . . . . 19 TYR N . 11194 1 172 . 1 1 20 20 GLU H H 1 8.482 0.030 . 1 . . . . 20 GLU H . 11194 1 173 . 1 1 20 20 GLU HA H 1 3.864 0.030 . 1 . . . . 20 GLU HA . 11194 1 174 . 1 1 20 20 GLU HB2 H 1 1.777 0.030 . 2 . . . . 20 GLU HB2 . 11194 1 175 . 1 1 20 20 GLU HB3 H 1 1.835 0.030 . 2 . . . . 20 GLU HB3 . 11194 1 176 . 1 1 20 20 GLU HG2 H 1 2.193 0.030 . 1 . . . . 20 GLU HG2 . 11194 1 177 . 1 1 20 20 GLU HG3 H 1 2.193 0.030 . 1 . . . . 20 GLU HG3 . 11194 1 178 . 1 1 20 20 GLU C C 13 176.552 0.300 . 1 . . . . 20 GLU C . 11194 1 179 . 1 1 20 20 GLU CA C 13 57.413 0.300 . 1 . . . . 20 GLU CA . 11194 1 180 . 1 1 20 20 GLU CB C 13 29.805 0.300 . 1 . . . . 20 GLU CB . 11194 1 181 . 1 1 20 20 GLU CG C 13 35.844 0.300 . 1 . . . . 20 GLU CG . 11194 1 182 . 1 1 20 20 GLU N N 15 127.203 0.300 . 1 . . . . 20 GLU N . 11194 1 183 . 1 1 21 21 GLY H H 1 5.510 0.030 . 1 . . . . 21 GLY H . 11194 1 184 . 1 1 21 21 GLY HA2 H 1 3.218 0.030 . 2 . . . . 21 GLY HA2 . 11194 1 185 . 1 1 21 21 GLY HA3 H 1 3.896 0.030 . 2 . . . . 21 GLY HA3 . 11194 1 186 . 1 1 21 21 GLY C C 13 171.868 0.300 . 1 . . . . 21 GLY C . 11194 1 187 . 1 1 21 21 GLY CA C 13 44.129 0.300 . 1 . . . . 21 GLY CA . 11194 1 188 . 1 1 21 21 GLY N N 15 104.289 0.300 . 1 . . . . 21 GLY N . 11194 1 189 . 1 1 22 22 ASP H H 1 8.664 0.030 . 1 . . . . 22 ASP H . 11194 1 190 . 1 1 22 22 ASP HA H 1 4.587 0.030 . 1 . . . . 22 ASP HA . 11194 1 191 . 1 1 22 22 ASP HB2 H 1 2.873 0.030 . 2 . . . . 22 ASP HB2 . 11194 1 192 . 1 1 22 22 ASP HB3 H 1 3.071 0.030 . 2 . . . . 22 ASP HB3 . 11194 1 193 . 1 1 22 22 ASP C C 13 175.861 0.300 . 1 . . . . 22 ASP C . 11194 1 194 . 1 1 22 22 ASP CA C 13 53.365 0.300 . 1 . . . . 22 ASP CA . 11194 1 195 . 1 1 22 22 ASP CB C 13 40.437 0.300 . 1 . . . . 22 ASP CB . 11194 1 196 . 1 1 22 22 ASP N N 15 119.899 0.300 . 1 . . . . 22 ASP N . 11194 1 197 . 1 1 23 23 GLU H H 1 8.623 0.030 . 1 . . . . 23 GLU H . 11194 1 198 . 1 1 23 23 GLU HA H 1 4.123 0.030 . 1 . . . . 23 GLU HA . 11194 1 199 . 1 1 23 23 GLU HB2 H 1 2.063 0.030 . 2 . . . . 23 GLU HB2 . 11194 1 200 . 1 1 23 23 GLU HB3 H 1 2.098 0.030 . 2 . . . . 23 GLU HB3 . 11194 1 201 . 1 1 23 23 GLU HG2 H 1 2.341 0.030 . 1 . . . . 23 GLU HG2 . 11194 1 202 . 1 1 23 23 GLU HG3 H 1 2.341 0.030 . 1 . . . . 23 GLU HG3 . 11194 1 203 . 1 1 23 23 GLU C C 13 177.152 0.300 . 1 . . . . 23 GLU C . 11194 1 204 . 1 1 23 23 GLU CA C 13 58.937 0.300 . 1 . . . . 23 GLU CA . 11194 1 205 . 1 1 23 23 GLU CB C 13 29.292 0.300 . 1 . . . . 23 GLU CB . 11194 1 206 . 1 1 23 23 GLU CG C 13 36.499 0.300 . 1 . . . . 23 GLU CG . 11194 1 207 . 1 1 23 23 GLU N N 15 116.320 0.300 . 1 . . . . 23 GLU N . 11194 1 208 . 1 1 24 24 GLU H H 1 8.424 0.030 . 1 . . . . 24 GLU H . 11194 1 209 . 1 1 24 24 GLU HA H 1 4.521 0.030 . 1 . . . . 24 GLU HA . 11194 1 210 . 1 1 24 24 GLU HB2 H 1 1.995 0.030 . 2 . . . . 24 GLU HB2 . 11194 1 211 . 1 1 24 24 GLU HB3 H 1 2.185 0.030 . 2 . . . . 24 GLU HB3 . 11194 1 212 . 1 1 24 24 GLU HG2 H 1 2.198 0.030 . 2 . . . . 24 GLU HG2 . 11194 1 213 . 1 1 24 24 GLU HG3 H 1 2.239 0.030 . 2 . . . . 24 GLU HG3 . 11194 1 214 . 1 1 24 24 GLU C C 13 176.537 0.300 . 1 . . . . 24 GLU C . 11194 1 215 . 1 1 24 24 GLU CA C 13 56.695 0.300 . 1 . . . . 24 GLU CA . 11194 1 216 . 1 1 24 24 GLU CB C 13 31.735 0.300 . 1 . . . . 24 GLU CB . 11194 1 217 . 1 1 24 24 GLU CG C 13 36.334 0.300 . 1 . . . . 24 GLU CG . 11194 1 218 . 1 1 24 24 GLU N N 15 116.610 0.300 . 1 . . . . 24 GLU N . 11194 1 219 . 1 1 25 25 THR H H 1 8.087 0.030 . 1 . . . . 25 THR H . 11194 1 220 . 1 1 25 25 THR HA H 1 4.747 0.030 . 1 . . . . 25 THR HA . 11194 1 221 . 1 1 25 25 THR HB H 1 4.359 0.030 . 1 . . . . 25 THR HB . 11194 1 222 . 1 1 25 25 THR HG21 H 1 1.266 0.030 . 1 . . . . 25 THR HG2 . 11194 1 223 . 1 1 25 25 THR HG22 H 1 1.266 0.030 . 1 . . . . 25 THR HG2 . 11194 1 224 . 1 1 25 25 THR HG23 H 1 1.266 0.030 . 1 . . . . 25 THR HG2 . 11194 1 225 . 1 1 25 25 THR C C 13 172.912 0.300 . 1 . . . . 25 THR C . 11194 1 226 . 1 1 25 25 THR CA C 13 60.843 0.300 . 1 . . . . 25 THR CA . 11194 1 227 . 1 1 25 25 THR CB C 13 71.175 0.300 . 1 . . . . 25 THR CB . 11194 1 228 . 1 1 25 25 THR CG2 C 13 22.183 0.300 . 1 . . . . 25 THR CG2 . 11194 1 229 . 1 1 25 25 THR N N 15 114.852 0.300 . 1 . . . . 25 THR N . 11194 1 230 . 1 1 26 26 ALA H H 1 8.516 0.030 . 1 . . . . 26 ALA H . 11194 1 231 . 1 1 26 26 ALA HA H 1 4.402 0.030 . 1 . . . . 26 ALA HA . 11194 1 232 . 1 1 26 26 ALA HB1 H 1 1.382 0.030 . 1 . . . . 26 ALA HB . 11194 1 233 . 1 1 26 26 ALA HB2 H 1 1.382 0.030 . 1 . . . . 26 ALA HB . 11194 1 234 . 1 1 26 26 ALA HB3 H 1 1.382 0.030 . 1 . . . . 26 ALA HB . 11194 1 235 . 1 1 26 26 ALA C C 13 176.537 0.300 . 1 . . . . 26 ALA C . 11194 1 236 . 1 1 26 26 ALA CA C 13 52.049 0.300 . 1 . . . . 26 ALA CA . 11194 1 237 . 1 1 26 26 ALA CB C 13 19.662 0.300 . 1 . . . . 26 ALA CB . 11194 1 238 . 1 1 26 26 ALA N N 15 127.459 0.300 . 1 . . . . 26 ALA N . 11194 1 239 . 1 1 27 27 GLY H H 1 7.810 0.030 . 1 . . . . 27 GLY H . 11194 1 240 . 1 1 27 27 GLY HA2 H 1 3.900 0.030 . 2 . . . . 27 GLY HA2 . 11194 1 241 . 1 1 27 27 GLY HA3 H 1 3.489 0.030 . 2 . . . . 27 GLY HA3 . 11194 1 242 . 1 1 27 27 GLY C C 13 173.189 0.300 . 1 . . . . 27 GLY C . 11194 1 243 . 1 1 27 27 GLY CA C 13 43.833 0.300 . 1 . . . . 27 GLY CA . 11194 1 244 . 1 1 27 27 GLY N N 15 104.005 0.300 . 1 . . . . 27 GLY N . 11194 1 245 . 1 1 28 28 PHE H H 1 8.108 0.030 . 1 . . . . 28 PHE H . 11194 1 246 . 1 1 28 28 PHE HA H 1 4.950 0.030 . 1 . . . . 28 PHE HA . 11194 1 247 . 1 1 28 28 PHE HB2 H 1 3.121 0.030 . 2 . . . . 28 PHE HB2 . 11194 1 248 . 1 1 28 28 PHE HB3 H 1 3.315 0.030 . 2 . . . . 28 PHE HB3 . 11194 1 249 . 1 1 28 28 PHE HD1 H 1 7.029 0.030 . 1 . . . . 28 PHE HD1 . 11194 1 250 . 1 1 28 28 PHE HD2 H 1 7.029 0.030 . 1 . . . . 28 PHE HD2 . 11194 1 251 . 1 1 28 28 PHE HE1 H 1 7.299 0.030 . 1 . . . . 28 PHE HE1 . 11194 1 252 . 1 1 28 28 PHE HE2 H 1 7.299 0.030 . 1 . . . . 28 PHE HE2 . 11194 1 253 . 1 1 28 28 PHE HZ H 1 6.575 0.030 . 1 . . . . 28 PHE HZ . 11194 1 254 . 1 1 28 28 PHE C C 13 173.911 0.300 . 1 . . . . 28 PHE C . 11194 1 255 . 1 1 28 28 PHE CA C 13 55.756 0.300 . 1 . . . . 28 PHE CA . 11194 1 256 . 1 1 28 28 PHE CB C 13 39.856 0.300 . 1 . . . . 28 PHE CB . 11194 1 257 . 1 1 28 28 PHE CD1 C 13 132.643 0.300 . 1 . . . . 28 PHE CD1 . 11194 1 258 . 1 1 28 28 PHE CD2 C 13 132.643 0.300 . 1 . . . . 28 PHE CD2 . 11194 1 259 . 1 1 28 28 PHE CE1 C 13 131.289 0.300 . 1 . . . . 28 PHE CE1 . 11194 1 260 . 1 1 28 28 PHE CE2 C 13 131.289 0.300 . 1 . . . . 28 PHE CE2 . 11194 1 261 . 1 1 28 28 PHE CZ C 13 128.457 0.300 . 1 . . . . 28 PHE CZ . 11194 1 262 . 1 1 28 28 PHE N N 15 112.257 0.300 . 1 . . . . 28 PHE N . 11194 1 263 . 1 1 29 29 GLN H H 1 8.365 0.030 . 1 . . . . 29 GLN H . 11194 1 264 . 1 1 29 29 GLN HA H 1 4.889 0.030 . 1 . . . . 29 GLN HA . 11194 1 265 . 1 1 29 29 GLN HB2 H 1 2.269 0.030 . 2 . . . . 29 GLN HB2 . 11194 1 266 . 1 1 29 29 GLN HB3 H 1 2.011 0.030 . 2 . . . . 29 GLN HB3 . 11194 1 267 . 1 1 29 29 GLN HE21 H 1 7.667 0.030 . 2 . . . . 29 GLN HE21 . 11194 1 268 . 1 1 29 29 GLN HE22 H 1 6.837 0.030 . 2 . . . . 29 GLN HE22 . 11194 1 269 . 1 1 29 29 GLN HG2 H 1 2.444 0.030 . 1 . . . . 29 GLN HG2 . 11194 1 270 . 1 1 29 29 GLN HG3 H 1 2.444 0.030 . 1 . . . . 29 GLN HG3 . 11194 1 271 . 1 1 29 29 GLN C C 13 176.307 0.300 . 1 . . . . 29 GLN C . 11194 1 272 . 1 1 29 29 GLN CA C 13 54.368 0.300 . 1 . . . . 29 GLN CA . 11194 1 273 . 1 1 29 29 GLN CB C 13 31.681 0.300 . 1 . . . . 29 GLN CB . 11194 1 274 . 1 1 29 29 GLN CG C 13 34.772 0.300 . 1 . . . . 29 GLN CG . 11194 1 275 . 1 1 29 29 GLN N N 15 118.701 0.300 . 1 . . . . 29 GLN N . 11194 1 276 . 1 1 29 29 GLN NE2 N 15 112.614 0.300 . 1 . . . . 29 GLN NE2 . 11194 1 277 . 1 1 30 30 GLU H H 1 8.938 0.030 . 1 . . . . 30 GLU H . 11194 1 278 . 1 1 30 30 GLU HA H 1 3.671 0.030 . 1 . . . . 30 GLU HA . 11194 1 279 . 1 1 30 30 GLU HB2 H 1 1.872 0.030 . 2 . . . . 30 GLU HB2 . 11194 1 280 . 1 1 30 30 GLU HB3 H 1 1.803 0.030 . 2 . . . . 30 GLU HB3 . 11194 1 281 . 1 1 30 30 GLU HG2 H 1 2.032 0.030 . 1 . . . . 30 GLU HG2 . 11194 1 282 . 1 1 30 30 GLU HG3 H 1 2.032 0.030 . 1 . . . . 30 GLU HG3 . 11194 1 283 . 1 1 30 30 GLU C C 13 176.169 0.300 . 1 . . . . 30 GLU C . 11194 1 284 . 1 1 30 30 GLU CA C 13 57.841 0.300 . 1 . . . . 30 GLU CA . 11194 1 285 . 1 1 30 30 GLU CB C 13 29.881 0.300 . 1 . . . . 30 GLU CB . 11194 1 286 . 1 1 30 30 GLU CG C 13 35.194 0.300 . 1 . . . . 30 GLU CG . 11194 1 287 . 1 1 30 30 GLU N N 15 121.990 0.300 . 1 . . . . 30 GLU N . 11194 1 288 . 1 1 31 31 GLY H H 1 8.478 0.030 . 1 . . . . 31 GLY H . 11194 1 289 . 1 1 31 31 GLY HA2 H 1 3.638 0.030 . 2 . . . . 31 GLY HA2 . 11194 1 290 . 1 1 31 31 GLY HA3 H 1 4.218 0.030 . 2 . . . . 31 GLY HA3 . 11194 1 291 . 1 1 31 31 GLY C C 13 174.402 0.300 . 1 . . . . 31 GLY C . 11194 1 292 . 1 1 31 31 GLY CA C 13 45.507 0.300 . 1 . . . . 31 GLY CA . 11194 1 293 . 1 1 31 31 GLY N N 15 114.553 0.300 . 1 . . . . 31 GLY N . 11194 1 294 . 1 1 32 32 VAL H H 1 7.914 0.030 . 1 . . . . 32 VAL H . 11194 1 295 . 1 1 32 32 VAL HA H 1 4.298 0.030 . 1 . . . . 32 VAL HA . 11194 1 296 . 1 1 32 32 VAL HB H 1 2.103 0.030 . 1 . . . . 32 VAL HB . 11194 1 297 . 1 1 32 32 VAL HG11 H 1 1.003 0.030 . 1 . . . . 32 VAL HG1 . 11194 1 298 . 1 1 32 32 VAL HG12 H 1 1.003 0.030 . 1 . . . . 32 VAL HG1 . 11194 1 299 . 1 1 32 32 VAL HG13 H 1 1.003 0.030 . 1 . . . . 32 VAL HG1 . 11194 1 300 . 1 1 32 32 VAL HG21 H 1 0.986 0.030 . 1 . . . . 32 VAL HG2 . 11194 1 301 . 1 1 32 32 VAL HG22 H 1 0.986 0.030 . 1 . . . . 32 VAL HG2 . 11194 1 302 . 1 1 32 32 VAL HG23 H 1 0.986 0.030 . 1 . . . . 32 VAL HG2 . 11194 1 303 . 1 1 32 32 VAL C C 13 174.571 0.300 . 1 . . . . 32 VAL C . 11194 1 304 . 1 1 32 32 VAL CA C 13 61.528 0.300 . 1 . . . . 32 VAL CA . 11194 1 305 . 1 1 32 32 VAL CB C 13 32.979 0.300 . 1 . . . . 32 VAL CB . 11194 1 306 . 1 1 32 32 VAL CG1 C 13 21.697 0.300 . 2 . . . . 32 VAL CG1 . 11194 1 307 . 1 1 32 32 VAL CG2 C 13 21.737 0.300 . 2 . . . . 32 VAL CG2 . 11194 1 308 . 1 1 32 32 VAL N N 15 121.430 0.300 . 1 . . . . 32 VAL N . 11194 1 309 . 1 1 33 33 SER H H 1 9.059 0.030 . 1 . . . . 33 SER H . 11194 1 310 . 1 1 33 33 SER HA H 1 5.343 0.030 . 1 . . . . 33 SER HA . 11194 1 311 . 1 1 33 33 SER HB2 H 1 3.848 0.030 . 2 . . . . 33 SER HB2 . 11194 1 312 . 1 1 33 33 SER HB3 H 1 3.650 0.030 . 2 . . . . 33 SER HB3 . 11194 1 313 . 1 1 33 33 SER C C 13 173.511 0.300 . 1 . . . . 33 SER C . 11194 1 314 . 1 1 33 33 SER CA C 13 58.438 0.300 . 1 . . . . 33 SER CA . 11194 1 315 . 1 1 33 33 SER CB C 13 64.856 0.300 . 1 . . . . 33 SER CB . 11194 1 316 . 1 1 33 33 SER N N 15 121.471 0.300 . 1 . . . . 33 SER N . 11194 1 317 . 1 1 34 34 MET H H 1 9.465 0.030 . 1 . . . . 34 MET H . 11194 1 318 . 1 1 34 34 MET HA H 1 5.170 0.030 . 1 . . . . 34 MET HA . 11194 1 319 . 1 1 34 34 MET HB2 H 1 1.604 0.030 . 1 . . . . 34 MET HB2 . 11194 1 320 . 1 1 34 34 MET HB3 H 1 1.604 0.030 . 1 . . . . 34 MET HB3 . 11194 1 321 . 1 1 34 34 MET HE1 H 1 0.879 0.030 . 1 . . . . 34 MET HE . 11194 1 322 . 1 1 34 34 MET HE2 H 1 0.879 0.030 . 1 . . . . 34 MET HE . 11194 1 323 . 1 1 34 34 MET HE3 H 1 0.879 0.030 . 1 . . . . 34 MET HE . 11194 1 324 . 1 1 34 34 MET HG2 H 1 2.199 0.030 . 2 . . . . 34 MET HG2 . 11194 1 325 . 1 1 34 34 MET HG3 H 1 2.117 0.030 . 2 . . . . 34 MET HG3 . 11194 1 326 . 1 1 34 34 MET C C 13 173.511 0.300 . 1 . . . . 34 MET C . 11194 1 327 . 1 1 34 34 MET CA C 13 54.306 0.300 . 1 . . . . 34 MET CA . 11194 1 328 . 1 1 34 34 MET CB C 13 36.753 0.300 . 1 . . . . 34 MET CB . 11194 1 329 . 1 1 34 34 MET CE C 13 16.774 0.300 . 1 . . . . 34 MET CE . 11194 1 330 . 1 1 34 34 MET CG C 13 31.820 0.300 . 1 . . . . 34 MET CG . 11194 1 331 . 1 1 34 34 MET N N 15 119.298 0.300 . 1 . . . . 34 MET N . 11194 1 332 . 1 1 35 35 GLU H H 1 8.828 0.030 . 1 . . . . 35 GLU H . 11194 1 333 . 1 1 35 35 GLU HA H 1 4.927 0.030 . 1 . . . . 35 GLU HA . 11194 1 334 . 1 1 35 35 GLU HB2 H 1 1.926 0.030 . 1 . . . . 35 GLU HB2 . 11194 1 335 . 1 1 35 35 GLU HB3 H 1 1.926 0.030 . 1 . . . . 35 GLU HB3 . 11194 1 336 . 1 1 35 35 GLU HG2 H 1 2.065 0.030 . 2 . . . . 35 GLU HG2 . 11194 1 337 . 1 1 35 35 GLU HG3 H 1 2.171 0.030 . 2 . . . . 35 GLU HG3 . 11194 1 338 . 1 1 35 35 GLU C C 13 175.861 0.300 . 1 . . . . 35 GLU C . 11194 1 339 . 1 1 35 35 GLU CA C 13 53.995 0.300 . 1 . . . . 35 GLU CA . 11194 1 340 . 1 1 35 35 GLU CB C 13 31.893 0.300 . 1 . . . . 35 GLU CB . 11194 1 341 . 1 1 35 35 GLU CG C 13 36.161 0.300 . 1 . . . . 35 GLU CG . 11194 1 342 . 1 1 35 35 GLU N N 15 121.722 0.300 . 1 . . . . 35 GLU N . 11194 1 343 . 1 1 36 36 VAL H H 1 8.838 0.030 . 1 . . . . 36 VAL H . 11194 1 344 . 1 1 36 36 VAL HA H 1 4.048 0.030 . 1 . . . . 36 VAL HA . 11194 1 345 . 1 1 36 36 VAL HB H 1 1.803 0.030 . 1 . . . . 36 VAL HB . 11194 1 346 . 1 1 36 36 VAL HG11 H 1 0.247 0.030 . 1 . . . . 36 VAL HG1 . 11194 1 347 . 1 1 36 36 VAL HG12 H 1 0.247 0.030 . 1 . . . . 36 VAL HG1 . 11194 1 348 . 1 1 36 36 VAL HG13 H 1 0.247 0.030 . 1 . . . . 36 VAL HG1 . 11194 1 349 . 1 1 36 36 VAL HG21 H 1 0.710 0.030 . 1 . . . . 36 VAL HG2 . 11194 1 350 . 1 1 36 36 VAL HG22 H 1 0.710 0.030 . 1 . . . . 36 VAL HG2 . 11194 1 351 . 1 1 36 36 VAL HG23 H 1 0.710 0.030 . 1 . . . . 36 VAL HG2 . 11194 1 352 . 1 1 36 36 VAL C C 13 175.416 0.300 . 1 . . . . 36 VAL C . 11194 1 353 . 1 1 36 36 VAL CA C 13 63.314 0.300 . 1 . . . . 36 VAL CA . 11194 1 354 . 1 1 36 36 VAL CB C 13 31.787 0.300 . 1 . . . . 36 VAL CB . 11194 1 355 . 1 1 36 36 VAL CG1 C 13 21.246 0.300 . 2 . . . . 36 VAL CG1 . 11194 1 356 . 1 1 36 36 VAL CG2 C 13 22.302 0.300 . 2 . . . . 36 VAL CG2 . 11194 1 357 . 1 1 36 36 VAL N N 15 126.168 0.300 . 1 . . . . 36 VAL N . 11194 1 358 . 1 1 37 37 LEU H H 1 9.282 0.030 . 1 . . . . 37 LEU H . 11194 1 359 . 1 1 37 37 LEU HA H 1 4.437 0.030 . 1 . . . . 37 LEU HA . 11194 1 360 . 1 1 37 37 LEU HB2 H 1 1.711 0.030 . 2 . . . . 37 LEU HB2 . 11194 1 361 . 1 1 37 37 LEU HB3 H 1 1.594 0.030 . 2 . . . . 37 LEU HB3 . 11194 1 362 . 1 1 37 37 LEU HD11 H 1 0.640 0.030 . 1 . . . . 37 LEU HD1 . 11194 1 363 . 1 1 37 37 LEU HD12 H 1 0.640 0.030 . 1 . . . . 37 LEU HD1 . 11194 1 364 . 1 1 37 37 LEU HD13 H 1 0.640 0.030 . 1 . . . . 37 LEU HD1 . 11194 1 365 . 1 1 37 37 LEU HD21 H 1 0.737 0.030 . 1 . . . . 37 LEU HD2 . 11194 1 366 . 1 1 37 37 LEU HD22 H 1 0.737 0.030 . 1 . . . . 37 LEU HD2 . 11194 1 367 . 1 1 37 37 LEU HD23 H 1 0.737 0.030 . 1 . . . . 37 LEU HD2 . 11194 1 368 . 1 1 37 37 LEU HG H 1 1.575 0.030 . 1 . . . . 37 LEU HG . 11194 1 369 . 1 1 37 37 LEU C C 13 177.428 0.300 . 1 . . . . 37 LEU C . 11194 1 370 . 1 1 37 37 LEU CA C 13 55.723 0.300 . 1 . . . . 37 LEU CA . 11194 1 371 . 1 1 37 37 LEU CB C 13 42.176 0.300 . 1 . . . . 37 LEU CB . 11194 1 372 . 1 1 37 37 LEU CD1 C 13 25.106 0.300 . 2 . . . . 37 LEU CD1 . 11194 1 373 . 1 1 37 37 LEU CD2 C 13 22.181 0.300 . 2 . . . . 37 LEU CD2 . 11194 1 374 . 1 1 37 37 LEU CG C 13 27.180 0.300 . 1 . . . . 37 LEU CG . 11194 1 375 . 1 1 37 37 LEU N N 15 128.841 0.300 . 1 . . . . 37 LEU N . 11194 1 376 . 1 1 38 38 GLU H H 1 7.804 0.030 . 1 . . . . 38 GLU H . 11194 1 377 . 1 1 38 38 GLU HA H 1 4.473 0.030 . 1 . . . . 38 GLU HA . 11194 1 378 . 1 1 38 38 GLU HB2 H 1 1.963 0.030 . 1 . . . . 38 GLU HB2 . 11194 1 379 . 1 1 38 38 GLU HB3 H 1 1.963 0.030 . 1 . . . . 38 GLU HB3 . 11194 1 380 . 1 1 38 38 GLU HG2 H 1 2.219 0.030 . 1 . . . . 38 GLU HG2 . 11194 1 381 . 1 1 38 38 GLU HG3 H 1 2.219 0.030 . 1 . . . . 38 GLU HG3 . 11194 1 382 . 1 1 38 38 GLU C C 13 174.141 0.300 . 1 . . . . 38 GLU C . 11194 1 383 . 1 1 38 38 GLU CA C 13 55.725 0.300 . 1 . . . . 38 GLU CA . 11194 1 384 . 1 1 38 38 GLU CB C 13 33.451 0.300 . 1 . . . . 38 GLU CB . 11194 1 385 . 1 1 38 38 GLU CG C 13 35.950 0.300 . 1 . . . . 38 GLU CG . 11194 1 386 . 1 1 38 38 GLU N N 15 116.731 0.300 . 1 . . . . 38 GLU N . 11194 1 387 . 1 1 39 39 ARG H H 1 8.866 0.030 . 1 . . . . 39 ARG H . 11194 1 388 . 1 1 39 39 ARG HA H 1 4.601 0.030 . 1 . . . . 39 ARG HA . 11194 1 389 . 1 1 39 39 ARG HB2 H 1 1.393 0.030 . 2 . . . . 39 ARG HB2 . 11194 1 390 . 1 1 39 39 ARG HB3 H 1 1.237 0.030 . 2 . . . . 39 ARG HB3 . 11194 1 391 . 1 1 39 39 ARG HD2 H 1 2.381 0.030 . 2 . . . . 39 ARG HD2 . 11194 1 392 . 1 1 39 39 ARG HD3 H 1 2.681 0.030 . 2 . . . . 39 ARG HD3 . 11194 1 393 . 1 1 39 39 ARG HG2 H 1 -0.854 0.030 . 2 . . . . 39 ARG HG2 . 11194 1 394 . 1 1 39 39 ARG HG3 H 1 0.780 0.030 . 2 . . . . 39 ARG HG3 . 11194 1 395 . 1 1 39 39 ARG C C 13 174.679 0.300 . 1 . . . . 39 ARG C . 11194 1 396 . 1 1 39 39 ARG CA C 13 55.126 0.300 . 1 . . . . 39 ARG CA . 11194 1 397 . 1 1 39 39 ARG CB C 13 31.751 0.300 . 1 . . . . 39 ARG CB . 11194 1 398 . 1 1 39 39 ARG CD C 13 43.031 0.300 . 1 . . . . 39 ARG CD . 11194 1 399 . 1 1 39 39 ARG CG C 13 25.759 0.300 . 1 . . . . 39 ARG CG . 11194 1 400 . 1 1 39 39 ARG N N 15 123.384 0.300 . 1 . . . . 39 ARG N . 11194 1 401 . 1 1 40 40 ASN H H 1 8.610 0.030 . 1 . . . . 40 ASN H . 11194 1 402 . 1 1 40 40 ASN HA H 1 5.420 0.030 . 1 . . . . 40 ASN HA . 11194 1 403 . 1 1 40 40 ASN HB2 H 1 3.015 0.030 . 2 . . . . 40 ASN HB2 . 11194 1 404 . 1 1 40 40 ASN HB3 H 1 3.849 0.030 . 2 . . . . 40 ASN HB3 . 11194 1 405 . 1 1 40 40 ASN HD21 H 1 7.246 0.030 . 2 . . . . 40 ASN HD21 . 11194 1 406 . 1 1 40 40 ASN HD22 H 1 6.793 0.030 . 2 . . . . 40 ASN HD22 . 11194 1 407 . 1 1 40 40 ASN C C 13 175.570 0.300 . 1 . . . . 40 ASN C . 11194 1 408 . 1 1 40 40 ASN CA C 13 50.981 0.300 . 1 . . . . 40 ASN CA . 11194 1 409 . 1 1 40 40 ASN CB C 13 40.270 0.300 . 1 . . . . 40 ASN CB . 11194 1 410 . 1 1 40 40 ASN N N 15 124.513 0.300 . 1 . . . . 40 ASN N . 11194 1 411 . 1 1 40 40 ASN ND2 N 15 113.448 0.300 . 1 . . . . 40 ASN ND2 . 11194 1 412 . 1 1 41 41 PRO HA H 1 4.573 0.030 . 1 . . . . 41 PRO HA . 11194 1 413 . 1 1 41 41 PRO HB2 H 1 2.080 0.030 . 2 . . . . 41 PRO HB2 . 11194 1 414 . 1 1 41 41 PRO HB3 H 1 2.463 0.030 . 2 . . . . 41 PRO HB3 . 11194 1 415 . 1 1 41 41 PRO HD2 H 1 3.864 0.030 . 2 . . . . 41 PRO HD2 . 11194 1 416 . 1 1 41 41 PRO HD3 H 1 3.923 0.030 . 2 . . . . 41 PRO HD3 . 11194 1 417 . 1 1 41 41 PRO HG2 H 1 2.079 0.030 . 1 . . . . 41 PRO HG2 . 11194 1 418 . 1 1 41 41 PRO HG3 H 1 2.079 0.030 . 1 . . . . 41 PRO HG3 . 11194 1 419 . 1 1 41 41 PRO C C 13 176.199 0.300 . 1 . . . . 41 PRO C . 11194 1 420 . 1 1 41 41 PRO CA C 13 64.477 0.300 . 1 . . . . 41 PRO CA . 11194 1 421 . 1 1 41 41 PRO CB C 13 31.875 0.300 . 1 . . . . 41 PRO CB . 11194 1 422 . 1 1 41 41 PRO CD C 13 51.681 0.300 . 1 . . . . 41 PRO CD . 11194 1 423 . 1 1 41 41 PRO CG C 13 27.053 0.300 . 1 . . . . 41 PRO CG . 11194 1 424 . 1 1 42 42 ASN H H 1 9.027 0.030 . 1 . . . . 42 ASN H . 11194 1 425 . 1 1 42 42 ASN HA H 1 4.573 0.030 . 1 . . . . 42 ASN HA . 11194 1 426 . 1 1 42 42 ASN HB2 H 1 2.791 0.030 . 2 . . . . 42 ASN HB2 . 11194 1 427 . 1 1 42 42 ASN HB3 H 1 3.226 0.030 . 2 . . . . 42 ASN HB3 . 11194 1 428 . 1 1 42 42 ASN HD21 H 1 7.066 0.030 . 2 . . . . 42 ASN HD21 . 11194 1 429 . 1 1 42 42 ASN HD22 H 1 6.336 0.030 . 2 . . . . 42 ASN HD22 . 11194 1 430 . 1 1 42 42 ASN C C 13 176.384 0.300 . 1 . . . . 42 ASN C . 11194 1 431 . 1 1 42 42 ASN CA C 13 53.113 0.300 . 1 . . . . 42 ASN CA . 11194 1 432 . 1 1 42 42 ASN CB C 13 37.018 0.300 . 1 . . . . 42 ASN CB . 11194 1 433 . 1 1 42 42 ASN N N 15 117.267 0.300 . 1 . . . . 42 ASN N . 11194 1 434 . 1 1 42 42 ASN ND2 N 15 106.970 0.300 . 1 . . . . 42 ASN ND2 . 11194 1 435 . 1 1 43 43 GLY H H 1 8.362 0.030 . 1 . . . . 43 GLY H . 11194 1 436 . 1 1 43 43 GLY HA2 H 1 3.715 0.030 . 2 . . . . 43 GLY HA2 . 11194 1 437 . 1 1 43 43 GLY HA3 H 1 4.374 0.030 . 2 . . . . 43 GLY HA3 . 11194 1 438 . 1 1 43 43 GLY C C 13 174.003 0.300 . 1 . . . . 43 GLY C . 11194 1 439 . 1 1 43 43 GLY CA C 13 45.007 0.300 . 1 . . . . 43 GLY CA . 11194 1 440 . 1 1 43 43 GLY N N 15 106.827 0.300 . 1 . . . . 43 GLY N . 11194 1 441 . 1 1 44 44 TRP H H 1 8.622 0.030 . 1 . . . . 44 TRP H . 11194 1 442 . 1 1 44 44 TRP HA H 1 5.105 0.030 . 1 . . . . 44 TRP HA . 11194 1 443 . 1 1 44 44 TRP HB2 H 1 3.427 0.030 . 2 . . . . 44 TRP HB2 . 11194 1 444 . 1 1 44 44 TRP HB3 H 1 3.338 0.030 . 2 . . . . 44 TRP HB3 . 11194 1 445 . 1 1 44 44 TRP HD1 H 1 6.910 0.030 . 1 . . . . 44 TRP HD1 . 11194 1 446 . 1 1 44 44 TRP HE1 H 1 10.092 0.030 . 1 . . . . 44 TRP HE1 . 11194 1 447 . 1 1 44 44 TRP HE3 H 1 7.380 0.030 . 1 . . . . 44 TRP HE3 . 11194 1 448 . 1 1 44 44 TRP HH2 H 1 7.332 0.030 . 1 . . . . 44 TRP HH2 . 11194 1 449 . 1 1 44 44 TRP HZ2 H 1 7.490 0.030 . 1 . . . . 44 TRP HZ2 . 11194 1 450 . 1 1 44 44 TRP HZ3 H 1 7.093 0.030 . 1 . . . . 44 TRP HZ3 . 11194 1 451 . 1 1 44 44 TRP C C 13 174.970 0.300 . 1 . . . . 44 TRP C . 11194 1 452 . 1 1 44 44 TRP CA C 13 57.078 0.300 . 1 . . . . 44 TRP CA . 11194 1 453 . 1 1 44 44 TRP CB C 13 29.321 0.300 . 1 . . . . 44 TRP CB . 11194 1 454 . 1 1 44 44 TRP CD1 C 13 126.066 0.300 . 1 . . . . 44 TRP CD1 . 11194 1 455 . 1 1 44 44 TRP CE3 C 13 119.522 0.300 . 1 . . . . 44 TRP CE3 . 11194 1 456 . 1 1 44 44 TRP CH2 C 13 124.676 0.300 . 1 . . . . 44 TRP CH2 . 11194 1 457 . 1 1 44 44 TRP CZ2 C 13 114.571 0.300 . 1 . . . . 44 TRP CZ2 . 11194 1 458 . 1 1 44 44 TRP CZ3 C 13 121.760 0.300 . 1 . . . . 44 TRP CZ3 . 11194 1 459 . 1 1 44 44 TRP N N 15 124.012 0.300 . 1 . . . . 44 TRP N . 11194 1 460 . 1 1 44 44 TRP NE1 N 15 129.390 0.300 . 1 . . . . 44 TRP NE1 . 11194 1 461 . 1 1 45 45 TRP H H 1 9.886 0.030 . 1 . . . . 45 TRP H . 11194 1 462 . 1 1 45 45 TRP HA H 1 5.932 0.030 . 1 . . . . 45 TRP HA . 11194 1 463 . 1 1 45 45 TRP HB2 H 1 2.880 0.030 . 2 . . . . 45 TRP HB2 . 11194 1 464 . 1 1 45 45 TRP HB3 H 1 3.005 0.030 . 2 . . . . 45 TRP HB3 . 11194 1 465 . 1 1 45 45 TRP HD1 H 1 7.328 0.030 . 1 . . . . 45 TRP HD1 . 11194 1 466 . 1 1 45 45 TRP HE1 H 1 10.466 0.030 . 1 . . . . 45 TRP HE1 . 11194 1 467 . 1 1 45 45 TRP HE3 H 1 6.748 0.030 . 1 . . . . 45 TRP HE3 . 11194 1 468 . 1 1 45 45 TRP HH2 H 1 7.017 0.030 . 1 . . . . 45 TRP HH2 . 11194 1 469 . 1 1 45 45 TRP HZ2 H 1 7.467 0.030 . 1 . . . . 45 TRP HZ2 . 11194 1 470 . 1 1 45 45 TRP HZ3 H 1 5.406 0.030 . 1 . . . . 45 TRP HZ3 . 11194 1 471 . 1 1 45 45 TRP C C 13 174.095 0.300 . 1 . . . . 45 TRP C . 11194 1 472 . 1 1 45 45 TRP CA C 13 52.865 0.300 . 1 . . . . 45 TRP CA . 11194 1 473 . 1 1 45 45 TRP CB C 13 32.325 0.300 . 1 . . . . 45 TRP CB . 11194 1 474 . 1 1 45 45 TRP CD1 C 13 122.427 0.300 . 1 . . . . 45 TRP CD1 . 11194 1 475 . 1 1 45 45 TRP CE3 C 13 122.046 0.300 . 1 . . . . 45 TRP CE3 . 11194 1 476 . 1 1 45 45 TRP CH2 C 13 124.763 0.300 . 1 . . . . 45 TRP CH2 . 11194 1 477 . 1 1 45 45 TRP CZ2 C 13 113.518 0.300 . 1 . . . . 45 TRP CZ2 . 11194 1 478 . 1 1 45 45 TRP CZ3 C 13 120.808 0.300 . 1 . . . . 45 TRP CZ3 . 11194 1 479 . 1 1 45 45 TRP N N 15 124.080 0.300 . 1 . . . . 45 TRP N . 11194 1 480 . 1 1 45 45 TRP NE1 N 15 128.097 0.300 . 1 . . . . 45 TRP NE1 . 11194 1 481 . 1 1 46 46 TYR H H 1 9.331 0.030 . 1 . . . . 46 TYR H . 11194 1 482 . 1 1 46 46 TYR HA H 1 4.336 0.030 . 1 . . . . 46 TYR HA . 11194 1 483 . 1 1 46 46 TYR HB2 H 1 0.574 0.030 . 2 . . . . 46 TYR HB2 . 11194 1 484 . 1 1 46 46 TYR HB3 H 1 2.249 0.030 . 2 . . . . 46 TYR HB3 . 11194 1 485 . 1 1 46 46 TYR HD1 H 1 5.709 0.030 . 1 . . . . 46 TYR HD1 . 11194 1 486 . 1 1 46 46 TYR HD2 H 1 5.709 0.030 . 1 . . . . 46 TYR HD2 . 11194 1 487 . 1 1 46 46 TYR HE1 H 1 6.444 0.030 . 1 . . . . 46 TYR HE1 . 11194 1 488 . 1 1 46 46 TYR HE2 H 1 6.444 0.030 . 1 . . . . 46 TYR HE2 . 11194 1 489 . 1 1 46 46 TYR C C 13 175.216 0.300 . 1 . . . . 46 TYR C . 11194 1 490 . 1 1 46 46 TYR CA C 13 56.846 0.300 . 1 . . . . 46 TYR CA . 11194 1 491 . 1 1 46 46 TYR CB C 13 37.865 0.300 . 1 . . . . 46 TYR CB . 11194 1 492 . 1 1 46 46 TYR CD1 C 13 132.261 0.300 . 1 . . . . 46 TYR CD1 . 11194 1 493 . 1 1 46 46 TYR CD2 C 13 132.261 0.300 . 1 . . . . 46 TYR CD2 . 11194 1 494 . 1 1 46 46 TYR CE1 C 13 116.943 0.300 . 1 . . . . 46 TYR CE1 . 11194 1 495 . 1 1 46 46 TYR CE2 C 13 116.943 0.300 . 1 . . . . 46 TYR CE2 . 11194 1 496 . 1 1 46 46 TYR N N 15 129.874 0.300 . 1 . . . . 46 TYR N . 11194 1 497 . 1 1 47 47 CYS H H 1 8.604 0.030 . 1 . . . . 47 CYS H . 11194 1 498 . 1 1 47 47 CYS HA H 1 5.243 0.030 . 1 . . . . 47 CYS HA . 11194 1 499 . 1 1 47 47 CYS HB2 H 1 2.526 0.030 . 2 . . . . 47 CYS HB2 . 11194 1 500 . 1 1 47 47 CYS HB3 H 1 2.399 0.030 . 2 . . . . 47 CYS HB3 . 11194 1 501 . 1 1 47 47 CYS C C 13 172.052 0.300 . 1 . . . . 47 CYS C . 11194 1 502 . 1 1 47 47 CYS CA C 13 57.026 0.300 . 1 . . . . 47 CYS CA . 11194 1 503 . 1 1 47 47 CYS CB C 13 33.660 0.300 . 1 . . . . 47 CYS CB . 11194 1 504 . 1 1 47 47 CYS N N 15 123.984 0.300 . 1 . . . . 47 CYS N . 11194 1 505 . 1 1 48 48 GLN H H 1 8.795 0.030 . 1 . . . . 48 GLN H . 11194 1 506 . 1 1 48 48 GLN HA H 1 4.705 0.030 . 1 . . . . 48 GLN HA . 11194 1 507 . 1 1 48 48 GLN HB2 H 1 1.795 0.030 . 2 . . . . 48 GLN HB2 . 11194 1 508 . 1 1 48 48 GLN HB3 H 1 2.011 0.030 . 2 . . . . 48 GLN HB3 . 11194 1 509 . 1 1 48 48 GLN HE21 H 1 7.287 0.030 . 2 . . . . 48 GLN HE21 . 11194 1 510 . 1 1 48 48 GLN HE22 H 1 6.771 0.030 . 2 . . . . 48 GLN HE22 . 11194 1 511 . 1 1 48 48 GLN HG2 H 1 2.214 0.030 . 2 . . . . 48 GLN HG2 . 11194 1 512 . 1 1 48 48 GLN HG3 H 1 1.901 0.030 . 2 . . . . 48 GLN HG3 . 11194 1 513 . 1 1 48 48 GLN C C 13 174.233 0.300 . 1 . . . . 48 GLN C . 11194 1 514 . 1 1 48 48 GLN CA C 13 53.918 0.300 . 1 . . . . 48 GLN CA . 11194 1 515 . 1 1 48 48 GLN CB C 13 30.920 0.300 . 1 . . . . 48 GLN CB . 11194 1 516 . 1 1 48 48 GLN CG C 13 33.627 0.300 . 1 . . . . 48 GLN CG . 11194 1 517 . 1 1 48 48 GLN N N 15 118.898 0.300 . 1 . . . . 48 GLN N . 11194 1 518 . 1 1 48 48 GLN NE2 N 15 111.583 0.300 . 1 . . . . 48 GLN NE2 . 11194 1 519 . 1 1 49 49 ILE H H 1 8.882 0.030 . 1 . . . . 49 ILE H . 11194 1 520 . 1 1 49 49 ILE HA H 1 3.998 0.030 . 1 . . . . 49 ILE HA . 11194 1 521 . 1 1 49 49 ILE HB H 1 1.438 0.030 . 1 . . . . 49 ILE HB . 11194 1 522 . 1 1 49 49 ILE HD11 H 1 0.455 0.030 . 1 . . . . 49 ILE HD1 . 11194 1 523 . 1 1 49 49 ILE HD12 H 1 0.455 0.030 . 1 . . . . 49 ILE HD1 . 11194 1 524 . 1 1 49 49 ILE HD13 H 1 0.455 0.030 . 1 . . . . 49 ILE HD1 . 11194 1 525 . 1 1 49 49 ILE HG12 H 1 1.235 0.030 . 2 . . . . 49 ILE HG12 . 11194 1 526 . 1 1 49 49 ILE HG13 H 1 0.932 0.030 . 2 . . . . 49 ILE HG13 . 11194 1 527 . 1 1 49 49 ILE HG21 H 1 0.922 0.030 . 1 . . . . 49 ILE HG2 . 11194 1 528 . 1 1 49 49 ILE HG22 H 1 0.922 0.030 . 1 . . . . 49 ILE HG2 . 11194 1 529 . 1 1 49 49 ILE HG23 H 1 0.922 0.030 . 1 . . . . 49 ILE HG2 . 11194 1 530 . 1 1 49 49 ILE C C 13 176.399 0.300 . 1 . . . . 49 ILE C . 11194 1 531 . 1 1 49 49 ILE CA C 13 62.865 0.300 . 1 . . . . 49 ILE CA . 11194 1 532 . 1 1 49 49 ILE CB C 13 37.440 0.300 . 1 . . . . 49 ILE CB . 11194 1 533 . 1 1 49 49 ILE CD1 C 13 13.842 0.300 . 1 . . . . 49 ILE CD1 . 11194 1 534 . 1 1 49 49 ILE CG1 C 13 29.607 0.300 . 1 . . . . 49 ILE CG1 . 11194 1 535 . 1 1 49 49 ILE CG2 C 13 19.058 0.300 . 1 . . . . 49 ILE CG2 . 11194 1 536 . 1 1 49 49 ILE N N 15 129.426 0.300 . 1 . . . . 49 ILE N . 11194 1 537 . 1 1 50 50 LEU H H 1 8.650 0.030 . 1 . . . . 50 LEU H . 11194 1 538 . 1 1 50 50 LEU HA H 1 4.388 0.030 . 1 . . . . 50 LEU HA . 11194 1 539 . 1 1 50 50 LEU HB2 H 1 1.596 0.030 . 2 . . . . 50 LEU HB2 . 11194 1 540 . 1 1 50 50 LEU HB3 H 1 1.444 0.030 . 2 . . . . 50 LEU HB3 . 11194 1 541 . 1 1 50 50 LEU HD11 H 1 0.807 0.030 . 1 . . . . 50 LEU HD1 . 11194 1 542 . 1 1 50 50 LEU HD12 H 1 0.807 0.030 . 1 . . . . 50 LEU HD1 . 11194 1 543 . 1 1 50 50 LEU HD13 H 1 0.807 0.030 . 1 . . . . 50 LEU HD1 . 11194 1 544 . 1 1 50 50 LEU HD21 H 1 0.758 0.030 . 1 . . . . 50 LEU HD2 . 11194 1 545 . 1 1 50 50 LEU HD22 H 1 0.758 0.030 . 1 . . . . 50 LEU HD2 . 11194 1 546 . 1 1 50 50 LEU HD23 H 1 0.758 0.030 . 1 . . . . 50 LEU HD2 . 11194 1 547 . 1 1 50 50 LEU HG H 1 1.594 0.030 . 1 . . . . 50 LEU HG . 11194 1 548 . 1 1 50 50 LEU C C 13 176.629 0.300 . 1 . . . . 50 LEU C . 11194 1 549 . 1 1 50 50 LEU CA C 13 54.803 0.300 . 1 . . . . 50 LEU CA . 11194 1 550 . 1 1 50 50 LEU CB C 13 41.006 0.300 . 1 . . . . 50 LEU CB . 11194 1 551 . 1 1 50 50 LEU CD1 C 13 25.329 0.300 . 2 . . . . 50 LEU CD1 . 11194 1 552 . 1 1 50 50 LEU CD2 C 13 22.485 0.300 . 2 . . . . 50 LEU CD2 . 11194 1 553 . 1 1 50 50 LEU CG C 13 26.489 0.300 . 1 . . . . 50 LEU CG . 11194 1 554 . 1 1 50 50 LEU N N 15 128.148 0.300 . 1 . . . . 50 LEU N . 11194 1 555 . 1 1 51 51 ASP H H 1 7.654 0.030 . 1 . . . . 51 ASP H . 11194 1 556 . 1 1 51 51 ASP HA H 1 4.653 0.030 . 1 . . . . 51 ASP HA . 11194 1 557 . 1 1 51 51 ASP HB2 H 1 2.717 0.030 . 1 . . . . 51 ASP HB2 . 11194 1 558 . 1 1 51 51 ASP HB3 H 1 2.717 0.030 . 1 . . . . 51 ASP HB3 . 11194 1 559 . 1 1 51 51 ASP C C 13 175.570 0.300 . 1 . . . . 51 ASP C . 11194 1 560 . 1 1 51 51 ASP CA C 13 53.550 0.300 . 1 . . . . 51 ASP CA . 11194 1 561 . 1 1 51 51 ASP CB C 13 41.891 0.300 . 1 . . . . 51 ASP CB . 11194 1 562 . 1 1 51 51 ASP N N 15 120.054 0.300 . 1 . . . . 51 ASP N . 11194 1 563 . 1 1 52 52 GLY H H 1 8.178 0.030 . 1 . . . . 52 GLY H . 11194 1 564 . 1 1 52 52 GLY HA2 H 1 4.045 0.030 . 2 . . . . 52 GLY HA2 . 11194 1 565 . 1 1 52 52 GLY HA3 H 1 3.942 0.030 . 2 . . . . 52 GLY HA3 . 11194 1 566 . 1 1 52 52 GLY C C 13 174.341 0.300 . 1 . . . . 52 GLY C . 11194 1 567 . 1 1 52 52 GLY CA C 13 45.097 0.300 . 1 . . . . 52 GLY CA . 11194 1 568 . 1 1 52 52 GLY N N 15 107.404 0.300 . 1 . . . . 52 GLY N . 11194 1 569 . 1 1 53 53 VAL H H 1 8.311 0.030 . 1 . . . . 53 VAL H . 11194 1 570 . 1 1 53 53 VAL HA H 1 4.071 0.030 . 1 . . . . 53 VAL HA . 11194 1 571 . 1 1 53 53 VAL HB H 1 2.202 0.030 . 1 . . . . 53 VAL HB . 11194 1 572 . 1 1 53 53 VAL HG11 H 1 0.986 0.030 . 1 . . . . 53 VAL HG1 . 11194 1 573 . 1 1 53 53 VAL HG12 H 1 0.986 0.030 . 1 . . . . 53 VAL HG1 . 11194 1 574 . 1 1 53 53 VAL HG13 H 1 0.986 0.030 . 1 . . . . 53 VAL HG1 . 11194 1 575 . 1 1 53 53 VAL HG21 H 1 0.995 0.030 . 1 . . . . 53 VAL HG2 . 11194 1 576 . 1 1 53 53 VAL HG22 H 1 0.995 0.030 . 1 . . . . 53 VAL HG2 . 11194 1 577 . 1 1 53 53 VAL HG23 H 1 0.995 0.030 . 1 . . . . 53 VAL HG2 . 11194 1 578 . 1 1 53 53 VAL C C 13 176.092 0.300 . 1 . . . . 53 VAL C . 11194 1 579 . 1 1 53 53 VAL CA C 13 63.445 0.300 . 1 . . . . 53 VAL CA . 11194 1 580 . 1 1 53 53 VAL CB C 13 32.188 0.300 . 1 . . . . 53 VAL CB . 11194 1 581 . 1 1 53 53 VAL CG1 C 13 20.335 0.300 . 2 . . . . 53 VAL CG1 . 11194 1 582 . 1 1 53 53 VAL CG2 C 13 20.988 0.300 . 2 . . . . 53 VAL CG2 . 11194 1 583 . 1 1 53 53 VAL N N 15 117.687 0.300 . 1 . . . . 53 VAL N . 11194 1 584 . 1 1 54 54 LYS H H 1 8.285 0.030 . 1 . . . . 54 LYS H . 11194 1 585 . 1 1 54 54 LYS HA H 1 4.747 0.030 . 1 . . . . 54 LYS HA . 11194 1 586 . 1 1 54 54 LYS HB2 H 1 1.721 0.030 . 2 . . . . 54 LYS HB2 . 11194 1 587 . 1 1 54 54 LYS HB3 H 1 1.906 0.030 . 2 . . . . 54 LYS HB3 . 11194 1 588 . 1 1 54 54 LYS HD2 H 1 1.734 0.030 . 1 . . . . 54 LYS HD2 . 11194 1 589 . 1 1 54 54 LYS HD3 H 1 1.734 0.030 . 1 . . . . 54 LYS HD3 . 11194 1 590 . 1 1 54 54 LYS HE2 H 1 3.015 0.030 . 1 . . . . 54 LYS HE2 . 11194 1 591 . 1 1 54 54 LYS HE3 H 1 3.015 0.030 . 1 . . . . 54 LYS HE3 . 11194 1 592 . 1 1 54 54 LYS HG2 H 1 1.447 0.030 . 1 . . . . 54 LYS HG2 . 11194 1 593 . 1 1 54 54 LYS HG3 H 1 1.447 0.030 . 1 . . . . 54 LYS HG3 . 11194 1 594 . 1 1 54 54 LYS C C 13 172.866 0.300 . 1 . . . . 54 LYS C . 11194 1 595 . 1 1 54 54 LYS CA C 13 53.469 0.300 . 1 . . . . 54 LYS CA . 11194 1 596 . 1 1 54 54 LYS CB C 13 33.307 0.300 . 1 . . . . 54 LYS CB . 11194 1 597 . 1 1 54 54 LYS CD C 13 29.229 0.300 . 1 . . . . 54 LYS CD . 11194 1 598 . 1 1 54 54 LYS CE C 13 41.980 0.300 . 1 . . . . 54 LYS CE . 11194 1 599 . 1 1 54 54 LYS CG C 13 24.460 0.300 . 1 . . . . 54 LYS CG . 11194 1 600 . 1 1 54 54 LYS N N 15 120.758 0.300 . 1 . . . . 54 LYS N . 11194 1 601 . 1 1 55 55 PRO HA H 1 4.530 0.030 . 1 . . . . 55 PRO HA . 11194 1 602 . 1 1 55 55 PRO HB2 H 1 1.887 0.030 . 2 . . . . 55 PRO HB2 . 11194 1 603 . 1 1 55 55 PRO HB3 H 1 2.237 0.030 . 2 . . . . 55 PRO HB3 . 11194 1 604 . 1 1 55 55 PRO HD2 H 1 3.629 0.030 . 1 . . . . 55 PRO HD2 . 11194 1 605 . 1 1 55 55 PRO HD3 H 1 3.629 0.030 . 1 . . . . 55 PRO HD3 . 11194 1 606 . 1 1 55 55 PRO HG2 H 1 1.928 0.030 . 2 . . . . 55 PRO HG2 . 11194 1 607 . 1 1 55 55 PRO HG3 H 1 2.016 0.030 . 2 . . . . 55 PRO HG3 . 11194 1 608 . 1 1 55 55 PRO C C 13 175.800 0.300 . 1 . . . . 55 PRO C . 11194 1 609 . 1 1 55 55 PRO CA C 13 63.430 0.300 . 1 . . . . 55 PRO CA . 11194 1 610 . 1 1 55 55 PRO CB C 13 32.103 0.300 . 1 . . . . 55 PRO CB . 11194 1 611 . 1 1 55 55 PRO CD C 13 50.307 0.300 . 1 . . . . 55 PRO CD . 11194 1 612 . 1 1 55 55 PRO CG C 13 27.018 0.300 . 1 . . . . 55 PRO CG . 11194 1 613 . 1 1 56 56 PHE H H 1 7.816 0.030 . 1 . . . . 56 PHE H . 11194 1 614 . 1 1 56 56 PHE HA H 1 4.856 0.030 . 1 . . . . 56 PHE HA . 11194 1 615 . 1 1 56 56 PHE HB2 H 1 3.207 0.030 . 2 . . . . 56 PHE HB2 . 11194 1 616 . 1 1 56 56 PHE HB3 H 1 3.079 0.030 . 2 . . . . 56 PHE HB3 . 11194 1 617 . 1 1 56 56 PHE HD1 H 1 7.245 0.030 . 1 . . . . 56 PHE HD1 . 11194 1 618 . 1 1 56 56 PHE HD2 H 1 7.245 0.030 . 1 . . . . 56 PHE HD2 . 11194 1 619 . 1 1 56 56 PHE HE1 H 1 7.364 0.030 . 1 . . . . 56 PHE HE1 . 11194 1 620 . 1 1 56 56 PHE HE2 H 1 7.364 0.030 . 1 . . . . 56 PHE HE2 . 11194 1 621 . 1 1 56 56 PHE HZ H 1 7.410 0.030 . 1 . . . . 56 PHE HZ . 11194 1 622 . 1 1 56 56 PHE C C 13 172.267 0.300 . 1 . . . . 56 PHE C . 11194 1 623 . 1 1 56 56 PHE CA C 13 56.740 0.300 . 1 . . . . 56 PHE CA . 11194 1 624 . 1 1 56 56 PHE CB C 13 40.997 0.300 . 1 . . . . 56 PHE CB . 11194 1 625 . 1 1 56 56 PHE CD1 C 13 132.191 0.300 . 1 . . . . 56 PHE CD1 . 11194 1 626 . 1 1 56 56 PHE CD2 C 13 132.191 0.300 . 1 . . . . 56 PHE CD2 . 11194 1 627 . 1 1 56 56 PHE CE1 C 13 131.253 0.300 . 1 . . . . 56 PHE CE1 . 11194 1 628 . 1 1 56 56 PHE CE2 C 13 131.253 0.300 . 1 . . . . 56 PHE CE2 . 11194 1 629 . 1 1 56 56 PHE CZ C 13 129.955 0.300 . 1 . . . . 56 PHE CZ . 11194 1 630 . 1 1 56 56 PHE N N 15 118.977 0.300 . 1 . . . . 56 PHE N . 11194 1 631 . 1 1 57 57 LYS H H 1 8.101 0.030 . 1 . . . . 57 LYS H . 11194 1 632 . 1 1 57 57 LYS HA H 1 5.206 0.030 . 1 . . . . 57 LYS HA . 11194 1 633 . 1 1 57 57 LYS HB2 H 1 1.516 0.030 . 2 . . . . 57 LYS HB2 . 11194 1 634 . 1 1 57 57 LYS HB3 H 1 1.355 0.030 . 2 . . . . 57 LYS HB3 . 11194 1 635 . 1 1 57 57 LYS HD2 H 1 1.561 0.030 . 1 . . . . 57 LYS HD2 . 11194 1 636 . 1 1 57 57 LYS HD3 H 1 1.561 0.030 . 1 . . . . 57 LYS HD3 . 11194 1 637 . 1 1 57 57 LYS HE2 H 1 2.883 0.030 . 2 . . . . 57 LYS HE2 . 11194 1 638 . 1 1 57 57 LYS HE3 H 1 2.922 0.030 . 2 . . . . 57 LYS HE3 . 11194 1 639 . 1 1 57 57 LYS HG2 H 1 0.905 0.030 . 2 . . . . 57 LYS HG2 . 11194 1 640 . 1 1 57 57 LYS HG3 H 1 1.214 0.030 . 2 . . . . 57 LYS HG3 . 11194 1 641 . 1 1 57 57 LYS C C 13 175.861 0.300 . 1 . . . . 57 LYS C . 11194 1 642 . 1 1 57 57 LYS CA C 13 54.129 0.300 . 1 . . . . 57 LYS CA . 11194 1 643 . 1 1 57 57 LYS CB C 13 34.456 0.300 . 1 . . . . 57 LYS CB . 11194 1 644 . 1 1 57 57 LYS CD C 13 29.358 0.300 . 1 . . . . 57 LYS CD . 11194 1 645 . 1 1 57 57 LYS CE C 13 41.812 0.300 . 1 . . . . 57 LYS CE . 11194 1 646 . 1 1 57 57 LYS CG C 13 24.700 0.300 . 1 . . . . 57 LYS CG . 11194 1 647 . 1 1 57 57 LYS N N 15 121.936 0.300 . 1 . . . . 57 LYS N . 11194 1 648 . 1 1 58 58 GLY H H 1 8.150 0.030 . 1 . . . . 58 GLY H . 11194 1 649 . 1 1 58 58 GLY HA2 H 1 4.097 0.030 . 2 . . . . 58 GLY HA2 . 11194 1 650 . 1 1 58 58 GLY HA3 H 1 4.033 0.030 . 2 . . . . 58 GLY HA3 . 11194 1 651 . 1 1 58 58 GLY C C 13 170.578 0.300 . 1 . . . . 58 GLY C . 11194 1 652 . 1 1 58 58 GLY CA C 13 45.356 0.300 . 1 . . . . 58 GLY CA . 11194 1 653 . 1 1 58 58 GLY N N 15 108.855 0.300 . 1 . . . . 58 GLY N . 11194 1 654 . 1 1 59 59 TRP H H 1 8.950 0.030 . 1 . . . . 59 TRP H . 11194 1 655 . 1 1 59 59 TRP HA H 1 5.396 0.030 . 1 . . . . 59 TRP HA . 11194 1 656 . 1 1 59 59 TRP HB2 H 1 3.307 0.030 . 2 . . . . 59 TRP HB2 . 11194 1 657 . 1 1 59 59 TRP HB3 H 1 3.401 0.030 . 2 . . . . 59 TRP HB3 . 11194 1 658 . 1 1 59 59 TRP HD1 H 1 7.561 0.030 . 1 . . . . 59 TRP HD1 . 11194 1 659 . 1 1 59 59 TRP HE1 H 1 10.172 0.030 . 1 . . . . 59 TRP HE1 . 11194 1 660 . 1 1 59 59 TRP HE3 H 1 7.618 0.030 . 1 . . . . 59 TRP HE3 . 11194 1 661 . 1 1 59 59 TRP HH2 H 1 7.205 0.030 . 1 . . . . 59 TRP HH2 . 11194 1 662 . 1 1 59 59 TRP HZ2 H 1 7.305 0.030 . 1 . . . . 59 TRP HZ2 . 11194 1 663 . 1 1 59 59 TRP HZ3 H 1 7.293 0.030 . 1 . . . . 59 TRP HZ3 . 11194 1 664 . 1 1 59 59 TRP C C 13 176.368 0.300 . 1 . . . . 59 TRP C . 11194 1 665 . 1 1 59 59 TRP CA C 13 57.315 0.300 . 1 . . . . 59 TRP CA . 11194 1 666 . 1 1 59 59 TRP CB C 13 30.163 0.300 . 1 . . . . 59 TRP CB . 11194 1 667 . 1 1 59 59 TRP CD1 C 13 127.965 0.300 . 1 . . . . 59 TRP CD1 . 11194 1 668 . 1 1 59 59 TRP CE3 C 13 120.098 0.300 . 1 . . . . 59 TRP CE3 . 11194 1 669 . 1 1 59 59 TRP CH2 C 13 124.099 0.300 . 1 . . . . 59 TRP CH2 . 11194 1 670 . 1 1 59 59 TRP CZ2 C 13 115.215 0.300 . 1 . . . . 59 TRP CZ2 . 11194 1 671 . 1 1 59 59 TRP CZ3 C 13 122.472 0.300 . 1 . . . . 59 TRP CZ3 . 11194 1 672 . 1 1 59 59 TRP N N 15 121.316 0.300 . 1 . . . . 59 TRP N . 11194 1 673 . 1 1 59 59 TRP NE1 N 15 130.723 0.300 . 1 . . . . 59 TRP NE1 . 11194 1 674 . 1 1 60 60 VAL H H 1 10.013 0.030 . 1 . . . . 60 VAL H . 11194 1 675 . 1 1 60 60 VAL HA H 1 4.945 0.030 . 1 . . . . 60 VAL HA . 11194 1 676 . 1 1 60 60 VAL HB H 1 2.047 0.030 . 1 . . . . 60 VAL HB . 11194 1 677 . 1 1 60 60 VAL HG11 H 1 0.811 0.030 . 1 . . . . 60 VAL HG1 . 11194 1 678 . 1 1 60 60 VAL HG12 H 1 0.811 0.030 . 1 . . . . 60 VAL HG1 . 11194 1 679 . 1 1 60 60 VAL HG13 H 1 0.811 0.030 . 1 . . . . 60 VAL HG1 . 11194 1 680 . 1 1 60 60 VAL HG21 H 1 0.888 0.030 . 1 . . . . 60 VAL HG2 . 11194 1 681 . 1 1 60 60 VAL HG22 H 1 0.888 0.030 . 1 . . . . 60 VAL HG2 . 11194 1 682 . 1 1 60 60 VAL HG23 H 1 0.888 0.030 . 1 . . . . 60 VAL HG2 . 11194 1 683 . 1 1 60 60 VAL C C 13 172.958 0.300 . 1 . . . . 60 VAL C . 11194 1 684 . 1 1 60 60 VAL CA C 13 58.131 0.300 . 1 . . . . 60 VAL CA . 11194 1 685 . 1 1 60 60 VAL CB C 13 35.965 0.300 . 1 . . . . 60 VAL CB . 11194 1 686 . 1 1 60 60 VAL CG1 C 13 21.010 0.300 . 2 . . . . 60 VAL CG1 . 11194 1 687 . 1 1 60 60 VAL CG2 C 13 21.135 0.300 . 2 . . . . 60 VAL CG2 . 11194 1 688 . 1 1 60 60 VAL N N 15 120.545 0.300 . 1 . . . . 60 VAL N . 11194 1 689 . 1 1 61 61 PRO HA H 1 3.659 0.030 . 1 . . . . 61 PRO HA . 11194 1 690 . 1 1 61 61 PRO HB2 H 1 1.700 0.030 . 2 . . . . 61 PRO HB2 . 11194 1 691 . 1 1 61 61 PRO HB3 H 1 1.144 0.030 . 2 . . . . 61 PRO HB3 . 11194 1 692 . 1 1 61 61 PRO HD2 H 1 2.924 0.030 . 2 . . . . 61 PRO HD2 . 11194 1 693 . 1 1 61 61 PRO HD3 H 1 3.260 0.030 . 2 . . . . 61 PRO HD3 . 11194 1 694 . 1 1 61 61 PRO HG2 H 1 1.249 0.030 . 2 . . . . 61 PRO HG2 . 11194 1 695 . 1 1 61 61 PRO HG3 H 1 0.561 0.030 . 2 . . . . 61 PRO HG3 . 11194 1 696 . 1 1 61 61 PRO CA C 13 61.690 0.300 . 1 . . . . 61 PRO CA . 11194 1 697 . 1 1 61 61 PRO CB C 13 29.785 0.300 . 1 . . . . 61 PRO CB . 11194 1 698 . 1 1 61 61 PRO CD C 13 50.084 0.300 . 1 . . . . 61 PRO CD . 11194 1 699 . 1 1 61 61 PRO CG C 13 26.561 0.300 . 1 . . . . 61 PRO CG . 11194 1 700 . 1 1 62 62 SER H H 1 7.958 0.030 . 1 . . . . 62 SER H . 11194 1 701 . 1 1 62 62 SER HA H 1 2.734 0.030 . 1 . . . . 62 SER HA . 11194 1 702 . 1 1 62 62 SER HB2 H 1 1.766 0.030 . 2 . . . . 62 SER HB2 . 11194 1 703 . 1 1 62 62 SER HB3 H 1 1.514 0.030 . 2 . . . . 62 SER HB3 . 11194 1 704 . 1 1 62 62 SER C C 13 175.155 0.300 . 1 . . . . 62 SER C . 11194 1 705 . 1 1 62 62 SER CA C 13 61.208 0.300 . 1 . . . . 62 SER CA . 11194 1 706 . 1 1 62 62 SER CB C 13 60.620 0.300 . 1 . . . . 62 SER CB . 11194 1 707 . 1 1 62 62 SER N N 15 121.126 0.300 . 1 . . . . 62 SER N . 11194 1 708 . 1 1 63 63 ASN H H 1 8.245 0.030 . 1 . . . . 63 ASN H . 11194 1 709 . 1 1 63 63 ASN HA H 1 4.450 0.030 . 1 . . . . 63 ASN HA . 11194 1 710 . 1 1 63 63 ASN HB2 H 1 2.566 0.030 . 2 . . . . 63 ASN HB2 . 11194 1 711 . 1 1 63 63 ASN HB3 H 1 2.729 0.030 . 2 . . . . 63 ASN HB3 . 11194 1 712 . 1 1 63 63 ASN HD21 H 1 7.382 0.030 . 2 . . . . 63 ASN HD21 . 11194 1 713 . 1 1 63 63 ASN HD22 H 1 6.480 0.030 . 2 . . . . 63 ASN HD22 . 11194 1 714 . 1 1 63 63 ASN C C 13 175.385 0.300 . 1 . . . . 63 ASN C . 11194 1 715 . 1 1 63 63 ASN CA C 13 54.260 0.300 . 1 . . . . 63 ASN CA . 11194 1 716 . 1 1 63 63 ASN CB C 13 35.939 0.300 . 1 . . . . 63 ASN CB . 11194 1 717 . 1 1 63 63 ASN N N 15 117.337 0.300 . 1 . . . . 63 ASN N . 11194 1 718 . 1 1 63 63 ASN ND2 N 15 112.688 0.300 . 1 . . . . 63 ASN ND2 . 11194 1 719 . 1 1 64 64 TYR H H 1 7.671 0.030 . 1 . . . . 64 TYR H . 11194 1 720 . 1 1 64 64 TYR HA H 1 4.226 0.030 . 1 . . . . 64 TYR HA . 11194 1 721 . 1 1 64 64 TYR HB2 H 1 2.912 0.030 . 2 . . . . 64 TYR HB2 . 11194 1 722 . 1 1 64 64 TYR HB3 H 1 3.431 0.030 . 2 . . . . 64 TYR HB3 . 11194 1 723 . 1 1 64 64 TYR HD1 H 1 6.961 0.030 . 1 . . . . 64 TYR HD1 . 11194 1 724 . 1 1 64 64 TYR HD2 H 1 6.961 0.030 . 1 . . . . 64 TYR HD2 . 11194 1 725 . 1 1 64 64 TYR HE1 H 1 6.841 0.030 . 1 . . . . 64 TYR HE1 . 11194 1 726 . 1 1 64 64 TYR HE2 H 1 6.841 0.030 . 1 . . . . 64 TYR HE2 . 11194 1 727 . 1 1 64 64 TYR C C 13 173.726 0.300 . 1 . . . . 64 TYR C . 11194 1 728 . 1 1 64 64 TYR CA C 13 59.231 0.300 . 1 . . . . 64 TYR CA . 11194 1 729 . 1 1 64 64 TYR CB C 13 37.774 0.300 . 1 . . . . 64 TYR CB . 11194 1 730 . 1 1 64 64 TYR CD1 C 13 132.224 0.300 . 1 . . . . 64 TYR CD1 . 11194 1 731 . 1 1 64 64 TYR CD2 C 13 132.224 0.300 . 1 . . . . 64 TYR CD2 . 11194 1 732 . 1 1 64 64 TYR CE1 C 13 118.081 0.300 . 1 . . . . 64 TYR CE1 . 11194 1 733 . 1 1 64 64 TYR CE2 C 13 118.081 0.300 . 1 . . . . 64 TYR CE2 . 11194 1 734 . 1 1 64 64 TYR N N 15 118.861 0.300 . 1 . . . . 64 TYR N . 11194 1 735 . 1 1 65 65 LEU H H 1 7.445 0.030 . 1 . . . . 65 LEU H . 11194 1 736 . 1 1 65 65 LEU HA H 1 5.303 0.030 . 1 . . . . 65 LEU HA . 11194 1 737 . 1 1 65 65 LEU HB2 H 1 1.643 0.030 . 2 . . . . 65 LEU HB2 . 11194 1 738 . 1 1 65 65 LEU HB3 H 1 1.395 0.030 . 2 . . . . 65 LEU HB3 . 11194 1 739 . 1 1 65 65 LEU HD11 H 1 0.540 0.030 . 1 . . . . 65 LEU HD1 . 11194 1 740 . 1 1 65 65 LEU HD12 H 1 0.540 0.030 . 1 . . . . 65 LEU HD1 . 11194 1 741 . 1 1 65 65 LEU HD13 H 1 0.540 0.030 . 1 . . . . 65 LEU HD1 . 11194 1 742 . 1 1 65 65 LEU HD21 H 1 0.538 0.030 . 1 . . . . 65 LEU HD2 . 11194 1 743 . 1 1 65 65 LEU HD22 H 1 0.538 0.030 . 1 . . . . 65 LEU HD2 . 11194 1 744 . 1 1 65 65 LEU HD23 H 1 0.538 0.030 . 1 . . . . 65 LEU HD2 . 11194 1 745 . 1 1 65 65 LEU HG H 1 1.268 0.030 . 1 . . . . 65 LEU HG . 11194 1 746 . 1 1 65 65 LEU C C 13 176.199 0.300 . 1 . . . . 65 LEU C . 11194 1 747 . 1 1 65 65 LEU CA C 13 53.631 0.300 . 1 . . . . 65 LEU CA . 11194 1 748 . 1 1 65 65 LEU CB C 13 45.850 0.300 . 1 . . . . 65 LEU CB . 11194 1 749 . 1 1 65 65 LEU CD1 C 13 25.085 0.300 . 2 . . . . 65 LEU CD1 . 11194 1 750 . 1 1 65 65 LEU CD2 C 13 22.442 0.300 . 2 . . . . 65 LEU CD2 . 11194 1 751 . 1 1 65 65 LEU CG C 13 27.206 0.300 . 1 . . . . 65 LEU CG . 11194 1 752 . 1 1 65 65 LEU N N 15 119.436 0.300 . 1 . . . . 65 LEU N . 11194 1 753 . 1 1 66 66 GLU H H 1 9.052 0.030 . 1 . . . . 66 GLU H . 11194 1 754 . 1 1 66 66 GLU HA H 1 4.784 0.030 . 1 . . . . 66 GLU HA . 11194 1 755 . 1 1 66 66 GLU HB2 H 1 1.907 0.030 . 1 . . . . 66 GLU HB2 . 11194 1 756 . 1 1 66 66 GLU HB3 H 1 1.907 0.030 . 1 . . . . 66 GLU HB3 . 11194 1 757 . 1 1 66 66 GLU HG2 H 1 2.218 0.030 . 1 . . . . 66 GLU HG2 . 11194 1 758 . 1 1 66 66 GLU HG3 H 1 2.218 0.030 . 1 . . . . 66 GLU HG3 . 11194 1 759 . 1 1 66 66 GLU C C 13 174.479 0.300 . 1 . . . . 66 GLU C . 11194 1 760 . 1 1 66 66 GLU CA C 13 54.471 0.300 . 1 . . . . 66 GLU CA . 11194 1 761 . 1 1 66 66 GLU CB C 13 34.025 0.300 . 1 . . . . 66 GLU CB . 11194 1 762 . 1 1 66 66 GLU CG C 13 36.080 0.300 . 1 . . . . 66 GLU CG . 11194 1 763 . 1 1 66 66 GLU N N 15 119.451 0.300 . 1 . . . . 66 GLU N . 11194 1 764 . 1 1 67 67 LYS H H 1 8.842 0.030 . 1 . . . . 67 LYS H . 11194 1 765 . 1 1 67 67 LYS HA H 1 3.173 0.030 . 1 . . . . 67 LYS HA . 11194 1 766 . 1 1 67 67 LYS HB2 H 1 1.342 0.030 . 2 . . . . 67 LYS HB2 . 11194 1 767 . 1 1 67 67 LYS HB3 H 1 1.577 0.030 . 2 . . . . 67 LYS HB3 . 11194 1 768 . 1 1 67 67 LYS HD2 H 1 1.500 0.030 . 1 . . . . 67 LYS HD2 . 11194 1 769 . 1 1 67 67 LYS HD3 H 1 1.500 0.030 . 1 . . . . 67 LYS HD3 . 11194 1 770 . 1 1 67 67 LYS HE2 H 1 2.935 0.030 . 1 . . . . 67 LYS HE2 . 11194 1 771 . 1 1 67 67 LYS HE3 H 1 2.935 0.030 . 1 . . . . 67 LYS HE3 . 11194 1 772 . 1 1 67 67 LYS HG2 H 1 0.980 0.030 . 2 . . . . 67 LYS HG2 . 11194 1 773 . 1 1 67 67 LYS HG3 H 1 1.156 0.030 . 2 . . . . 67 LYS HG3 . 11194 1 774 . 1 1 67 67 LYS C C 13 176.138 0.300 . 1 . . . . 67 LYS C . 11194 1 775 . 1 1 67 67 LYS CA C 13 57.144 0.300 . 1 . . . . 67 LYS CA . 11194 1 776 . 1 1 67 67 LYS CB C 13 32.272 0.300 . 1 . . . . 67 LYS CB . 11194 1 777 . 1 1 67 67 LYS CD C 13 28.875 0.300 . 1 . . . . 67 LYS CD . 11194 1 778 . 1 1 67 67 LYS CE C 13 42.013 0.300 . 1 . . . . 67 LYS CE . 11194 1 779 . 1 1 67 67 LYS CG C 13 24.805 0.300 . 1 . . . . 67 LYS CG . 11194 1 780 . 1 1 67 67 LYS N N 15 126.390 0.300 . 1 . . . . 67 LYS N . 11194 1 781 . 1 1 68 68 LYS H H 1 8.296 0.030 . 1 . . . . 68 LYS H . 11194 1 782 . 1 1 68 68 LYS HA H 1 4.176 0.030 . 1 . . . . 68 LYS HA . 11194 1 783 . 1 1 68 68 LYS HB2 H 1 1.403 0.030 . 2 . . . . 68 LYS HB2 . 11194 1 784 . 1 1 68 68 LYS HB3 H 1 1.690 0.030 . 2 . . . . 68 LYS HB3 . 11194 1 785 . 1 1 68 68 LYS HD2 H 1 1.525 0.030 . 1 . . . . 68 LYS HD2 . 11194 1 786 . 1 1 68 68 LYS HD3 H 1 1.525 0.030 . 1 . . . . 68 LYS HD3 . 11194 1 787 . 1 1 68 68 LYS HE2 H 1 2.861 0.030 . 1 . . . . 68 LYS HE2 . 11194 1 788 . 1 1 68 68 LYS HE3 H 1 2.861 0.030 . 1 . . . . 68 LYS HE3 . 11194 1 789 . 1 1 68 68 LYS HG2 H 1 1.302 0.030 . 1 . . . . 68 LYS HG2 . 11194 1 790 . 1 1 68 68 LYS HG3 H 1 1.302 0.030 . 1 . . . . 68 LYS HG3 . 11194 1 791 . 1 1 68 68 LYS C C 13 175.708 0.300 . 1 . . . . 68 LYS C . 11194 1 792 . 1 1 68 68 LYS CA C 13 56.484 0.300 . 1 . . . . 68 LYS CA . 11194 1 793 . 1 1 68 68 LYS CB C 13 33.431 0.300 . 1 . . . . 68 LYS CB . 11194 1 794 . 1 1 68 68 LYS CD C 13 29.292 0.300 . 1 . . . . 68 LYS CD . 11194 1 795 . 1 1 68 68 LYS CE C 13 41.919 0.300 . 1 . . . . 68 LYS CE . 11194 1 796 . 1 1 68 68 LYS CG C 13 24.904 0.300 . 1 . . . . 68 LYS CG . 11194 1 797 . 1 1 68 68 LYS N N 15 126.555 0.300 . 1 . . . . 68 LYS N . 11194 1 798 . 1 1 69 69 ASN H H 1 8.683 0.030 . 1 . . . . 69 ASN H . 11194 1 799 . 1 1 69 69 ASN HA H 1 4.747 0.030 . 1 . . . . 69 ASN HA . 11194 1 800 . 1 1 69 69 ASN HB2 H 1 2.734 0.030 . 2 . . . . 69 ASN HB2 . 11194 1 801 . 1 1 69 69 ASN HB3 H 1 2.819 0.030 . 2 . . . . 69 ASN HB3 . 11194 1 802 . 1 1 69 69 ASN HD21 H 1 7.580 0.030 . 2 . . . . 69 ASN HD21 . 11194 1 803 . 1 1 69 69 ASN HD22 H 1 6.915 0.030 . 2 . . . . 69 ASN HD22 . 11194 1 804 . 1 1 69 69 ASN C C 13 174.817 0.300 . 1 . . . . 69 ASN C . 11194 1 805 . 1 1 69 69 ASN CA C 13 52.916 0.300 . 1 . . . . 69 ASN CA . 11194 1 806 . 1 1 69 69 ASN CB C 13 38.901 0.300 . 1 . . . . 69 ASN CB . 11194 1 807 . 1 1 69 69 ASN N N 15 122.628 0.300 . 1 . . . . 69 ASN N . 11194 1 808 . 1 1 69 69 ASN ND2 N 15 112.797 0.300 . 1 . . . . 69 ASN ND2 . 11194 1 809 . 1 1 72 72 PRO HA H 1 4.474 0.030 . 1 . . . . 72 PRO HA . 11194 1 810 . 1 1 72 72 PRO HB2 H 1 1.976 0.030 . 2 . . . . 72 PRO HB2 . 11194 1 811 . 1 1 72 72 PRO HB3 H 1 2.289 0.030 . 2 . . . . 72 PRO HB3 . 11194 1 812 . 1 1 72 72 PRO HD2 H 1 3.622 0.030 . 1 . . . . 72 PRO HD2 . 11194 1 813 . 1 1 72 72 PRO HD3 H 1 3.622 0.030 . 1 . . . . 72 PRO HD3 . 11194 1 814 . 1 1 72 72 PRO HG2 H 1 2.011 0.030 . 1 . . . . 72 PRO HG2 . 11194 1 815 . 1 1 72 72 PRO HG3 H 1 2.011 0.030 . 1 . . . . 72 PRO HG3 . 11194 1 816 . 1 1 72 72 PRO CA C 13 63.093 0.300 . 1 . . . . 72 PRO CA . 11194 1 817 . 1 1 72 72 PRO CB C 13 31.986 0.300 . 1 . . . . 72 PRO CB . 11194 1 818 . 1 1 72 72 PRO CD C 13 49.594 0.300 . 1 . . . . 72 PRO CD . 11194 1 819 . 1 1 72 72 PRO CG C 13 27.051 0.300 . 1 . . . . 72 PRO CG . 11194 1 stop_ save_