data_11185 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11185 _Entry.Title ; Solution structure of the third SH3 domain of human RIM-binding protein 2 ; _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 . . . 11185 2 F. Hayashi . . . 11185 3 S. Yokoyama . . . 11185 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)' . 11185 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11185 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 298 11185 '15N chemical shifts' 69 11185 '1H chemical shifts' 456 11185 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 . 11185 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CSI 'BMRB Entry Tracking System' 11185 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11185 _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 SH3 domain of human RIM-binding 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 K. Inoue . . . 11185 1 2 F. Hayashi . . . 11185 1 3 S. Yokoyama . . . 11185 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11185 _Assembly.ID 1 _Assembly.Name 'RIM binding 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 'SH3 domain' 1 $entity_1 A . yes native no no . . . 11185 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 2csi . . . . . . 11185 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11185 _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 ; GSSGSSGRRMVALYDYDPRE SSPNVDVEAELTFCTGDIIT VFGEIDEDGFYYGELNGQKG LVPSNFLEEVSGPSSG ; _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 76 _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 2CSI . "Solution Structure Of The Third Sh3 Domain Of Human Rim- Binding Protein 2" . . . . . 100.00 76 100.00 100.00 1.00e-45 . . . . 11185 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11185 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 . 11185 1 2 . SER . 11185 1 3 . SER . 11185 1 4 . GLY . 11185 1 5 . SER . 11185 1 6 . SER . 11185 1 7 . GLY . 11185 1 8 . ARG . 11185 1 9 . ARG . 11185 1 10 . MET . 11185 1 11 . VAL . 11185 1 12 . ALA . 11185 1 13 . LEU . 11185 1 14 . TYR . 11185 1 15 . ASP . 11185 1 16 . TYR . 11185 1 17 . ASP . 11185 1 18 . PRO . 11185 1 19 . ARG . 11185 1 20 . GLU . 11185 1 21 . SER . 11185 1 22 . SER . 11185 1 23 . PRO . 11185 1 24 . ASN . 11185 1 25 . VAL . 11185 1 26 . ASP . 11185 1 27 . VAL . 11185 1 28 . GLU . 11185 1 29 . ALA . 11185 1 30 . GLU . 11185 1 31 . LEU . 11185 1 32 . THR . 11185 1 33 . PHE . 11185 1 34 . CYS . 11185 1 35 . THR . 11185 1 36 . GLY . 11185 1 37 . ASP . 11185 1 38 . ILE . 11185 1 39 . ILE . 11185 1 40 . THR . 11185 1 41 . VAL . 11185 1 42 . PHE . 11185 1 43 . GLY . 11185 1 44 . GLU . 11185 1 45 . ILE . 11185 1 46 . ASP . 11185 1 47 . GLU . 11185 1 48 . ASP . 11185 1 49 . GLY . 11185 1 50 . PHE . 11185 1 51 . TYR . 11185 1 52 . TYR . 11185 1 53 . GLY . 11185 1 54 . GLU . 11185 1 55 . LEU . 11185 1 56 . ASN . 11185 1 57 . GLY . 11185 1 58 . GLN . 11185 1 59 . LYS . 11185 1 60 . GLY . 11185 1 61 . LEU . 11185 1 62 . VAL . 11185 1 63 . PRO . 11185 1 64 . SER . 11185 1 65 . ASN . 11185 1 66 . PHE . 11185 1 67 . LEU . 11185 1 68 . GLU . 11185 1 69 . GLU . 11185 1 70 . VAL . 11185 1 71 . SER . 11185 1 72 . GLY . 11185 1 73 . PRO . 11185 1 74 . SER . 11185 1 75 . SER . 11185 1 76 . GLY . 11185 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 11185 1 . SER 2 2 11185 1 . SER 3 3 11185 1 . GLY 4 4 11185 1 . SER 5 5 11185 1 . SER 6 6 11185 1 . GLY 7 7 11185 1 . ARG 8 8 11185 1 . ARG 9 9 11185 1 . MET 10 10 11185 1 . VAL 11 11 11185 1 . ALA 12 12 11185 1 . LEU 13 13 11185 1 . TYR 14 14 11185 1 . ASP 15 15 11185 1 . TYR 16 16 11185 1 . ASP 17 17 11185 1 . PRO 18 18 11185 1 . ARG 19 19 11185 1 . GLU 20 20 11185 1 . SER 21 21 11185 1 . SER 22 22 11185 1 . PRO 23 23 11185 1 . ASN 24 24 11185 1 . VAL 25 25 11185 1 . ASP 26 26 11185 1 . VAL 27 27 11185 1 . GLU 28 28 11185 1 . ALA 29 29 11185 1 . GLU 30 30 11185 1 . LEU 31 31 11185 1 . THR 32 32 11185 1 . PHE 33 33 11185 1 . CYS 34 34 11185 1 . THR 35 35 11185 1 . GLY 36 36 11185 1 . ASP 37 37 11185 1 . ILE 38 38 11185 1 . ILE 39 39 11185 1 . THR 40 40 11185 1 . VAL 41 41 11185 1 . PHE 42 42 11185 1 . GLY 43 43 11185 1 . GLU 44 44 11185 1 . ILE 45 45 11185 1 . ASP 46 46 11185 1 . GLU 47 47 11185 1 . ASP 48 48 11185 1 . GLY 49 49 11185 1 . PHE 50 50 11185 1 . TYR 51 51 11185 1 . TYR 52 52 11185 1 . GLY 53 53 11185 1 . GLU 54 54 11185 1 . LEU 55 55 11185 1 . ASN 56 56 11185 1 . GLY 57 57 11185 1 . GLN 58 58 11185 1 . LYS 59 59 11185 1 . GLY 60 60 11185 1 . LEU 61 61 11185 1 . VAL 62 62 11185 1 . PRO 63 63 11185 1 . SER 64 64 11185 1 . ASN 65 65 11185 1 . PHE 66 66 11185 1 . LEU 67 67 11185 1 . GLU 68 68 11185 1 . GLU 69 69 11185 1 . VAL 70 70 11185 1 . SER 71 71 11185 1 . GLY 72 72 11185 1 . PRO 73 73 11185 1 . SER 74 74 11185 1 . SER 75 75 11185 1 . GLY 76 76 11185 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 11185 _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 . . . . . . . . . . . . . . . . . . . . . 11185 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 11185 _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 . . P040705-06 . . . . . . 11185 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11185 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.08mM U-15N, 13C-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 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 1.08 . . mM . . . . 11185 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11185 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11185 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11185 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11185 1 6 H2O . . . . . . solvent 90 . . % . . . . 11185 1 7 D2O . . . . . . solvent 10 . . % . . . . 11185 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 11185 _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 11185 1 pH 7.0 0.05 pH 11185 1 pressure 1 0.001 atm 11185 1 temperature 298 0.1 K 11185 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11185 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11185 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11185 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11185 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11185 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11185 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11185 _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.' . . 11185 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11185 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11185 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9296 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11185 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11185 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11185 _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.' . . 11185 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11185 5 'structure solution' 11185 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 11185 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 11185 _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 Varian INOVA . 800 . . . 11185 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 11185 _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 . . . . . . . . . . . . . . . . 11185 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11185 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 11185 _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 . . . . . . . . . 11185 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11185 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11185 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 11185 _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 11185 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11185 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 $VNMR . . 11185 1 2 $NMRPipe . . 11185 1 3 $NMRView . . 11185 1 4 $Kujira . . 11185 1 5 $CYANA . . 11185 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 4.606 0.030 . 1 . . . . 6 SER HA . 11185 1 2 . 1 1 6 6 SER HB2 H 1 3.964 0.030 . 1 . . . . 6 SER HB2 . 11185 1 3 . 1 1 6 6 SER HB3 H 1 3.964 0.030 . 1 . . . . 6 SER HB3 . 11185 1 4 . 1 1 6 6 SER C C 13 174.597 0.300 . 1 . . . . 6 SER C . 11185 1 5 . 1 1 6 6 SER CA C 13 58.635 0.300 . 1 . . . . 6 SER CA . 11185 1 6 . 1 1 6 6 SER CB C 13 63.963 0.300 . 1 . . . . 6 SER CB . 11185 1 7 . 1 1 7 7 GLY H H 1 8.359 0.030 . 1 . . . . 7 GLY H . 11185 1 8 . 1 1 7 7 GLY HA2 H 1 3.887 0.030 . 2 . . . . 7 GLY HA2 . 11185 1 9 . 1 1 7 7 GLY HA3 H 1 3.158 0.030 . 2 . . . . 7 GLY HA3 . 11185 1 10 . 1 1 7 7 GLY C C 13 173.006 0.300 . 1 . . . . 7 GLY C . 11185 1 11 . 1 1 7 7 GLY CA C 13 45.169 0.300 . 1 . . . . 7 GLY CA . 11185 1 12 . 1 1 7 7 GLY N N 15 110.721 0.300 . 1 . . . . 7 GLY N . 11185 1 13 . 1 1 8 8 ARG H H 1 8.484 0.030 . 1 . . . . 8 ARG H . 11185 1 14 . 1 1 8 8 ARG HA H 1 4.548 0.030 . 1 . . . . 8 ARG HA . 11185 1 15 . 1 1 8 8 ARG HB2 H 1 1.579 0.030 . 2 . . . . 8 ARG HB2 . 11185 1 16 . 1 1 8 8 ARG HB3 H 1 1.477 0.030 . 2 . . . . 8 ARG HB3 . 11185 1 17 . 1 1 8 8 ARG HD2 H 1 3.079 0.030 . 1 . . . . 8 ARG HD2 . 11185 1 18 . 1 1 8 8 ARG HD3 H 1 3.079 0.030 . 1 . . . . 8 ARG HD3 . 11185 1 19 . 1 1 8 8 ARG HE H 1 7.227 0.030 . 1 . . . . 8 ARG HE . 11185 1 20 . 1 1 8 8 ARG HG2 H 1 1.462 0.030 . 1 . . . . 8 ARG HG2 . 11185 1 21 . 1 1 8 8 ARG HG3 H 1 1.462 0.030 . 1 . . . . 8 ARG HG3 . 11185 1 22 . 1 1 8 8 ARG C C 13 174.764 0.300 . 1 . . . . 8 ARG C . 11185 1 23 . 1 1 8 8 ARG CA C 13 54.742 0.300 . 1 . . . . 8 ARG CA . 11185 1 24 . 1 1 8 8 ARG CB C 13 33.028 0.300 . 1 . . . . 8 ARG CB . 11185 1 25 . 1 1 8 8 ARG CD C 13 43.869 0.300 . 1 . . . . 8 ARG CD . 11185 1 26 . 1 1 8 8 ARG CG C 13 26.872 0.300 . 1 . . . . 8 ARG CG . 11185 1 27 . 1 1 8 8 ARG N N 15 121.598 0.300 . 1 . . . . 8 ARG N . 11185 1 28 . 1 1 8 8 ARG NE N 15 124.467 0.300 . 1 . . . . 8 ARG NE . 11185 1 29 . 1 1 9 9 ARG H H 1 8.602 0.030 . 1 . . . . 9 ARG H . 11185 1 30 . 1 1 9 9 ARG HA H 1 4.350 0.030 . 1 . . . . 9 ARG HA . 11185 1 31 . 1 1 9 9 ARG HB2 H 1 1.680 0.030 . 2 . . . . 9 ARG HB2 . 11185 1 32 . 1 1 9 9 ARG HB3 H 1 1.452 0.030 . 2 . . . . 9 ARG HB3 . 11185 1 33 . 1 1 9 9 ARG HD2 H 1 3.108 0.030 . 1 . . . . 9 ARG HD2 . 11185 1 34 . 1 1 9 9 ARG HD3 H 1 3.108 0.030 . 1 . . . . 9 ARG HD3 . 11185 1 35 . 1 1 9 9 ARG HG2 H 1 1.425 0.030 . 2 . . . . 9 ARG HG2 . 11185 1 36 . 1 1 9 9 ARG HG3 H 1 1.591 0.030 . 2 . . . . 9 ARG HG3 . 11185 1 37 . 1 1 9 9 ARG C C 13 174.922 0.300 . 1 . . . . 9 ARG C . 11185 1 38 . 1 1 9 9 ARG CA C 13 57.077 0.300 . 1 . . . . 9 ARG CA . 11185 1 39 . 1 1 9 9 ARG CB C 13 31.007 0.300 . 1 . . . . 9 ARG CB . 11185 1 40 . 1 1 9 9 ARG CD C 13 43.601 0.300 . 1 . . . . 9 ARG CD . 11185 1 41 . 1 1 9 9 ARG CG C 13 28.143 0.300 . 1 . . . . 9 ARG CG . 11185 1 42 . 1 1 9 9 ARG N N 15 124.113 0.300 . 1 . . . . 9 ARG N . 11185 1 43 . 1 1 10 10 MET H H 1 8.885 0.030 . 1 . . . . 10 MET H . 11185 1 44 . 1 1 10 10 MET HA H 1 4.988 0.030 . 1 . . . . 10 MET HA . 11185 1 45 . 1 1 10 10 MET HB2 H 1 1.685 0.030 . 2 . . . . 10 MET HB2 . 11185 1 46 . 1 1 10 10 MET HB3 H 1 1.634 0.030 . 2 . . . . 10 MET HB3 . 11185 1 47 . 1 1 10 10 MET HE1 H 1 1.705 0.030 . 1 . . . . 10 MET HE . 11185 1 48 . 1 1 10 10 MET HE2 H 1 1.705 0.030 . 1 . . . . 10 MET HE . 11185 1 49 . 1 1 10 10 MET HE3 H 1 1.705 0.030 . 1 . . . . 10 MET HE . 11185 1 50 . 1 1 10 10 MET HG2 H 1 1.964 0.030 . 2 . . . . 10 MET HG2 . 11185 1 51 . 1 1 10 10 MET HG3 H 1 2.255 0.030 . 2 . . . . 10 MET HG3 . 11185 1 52 . 1 1 10 10 MET C C 13 173.328 0.300 . 1 . . . . 10 MET C . 11185 1 53 . 1 1 10 10 MET CA C 13 53.328 0.300 . 1 . . . . 10 MET CA . 11185 1 54 . 1 1 10 10 MET CB C 13 36.800 0.300 . 1 . . . . 10 MET CB . 11185 1 55 . 1 1 10 10 MET CE C 13 18.380 0.300 . 1 . . . . 10 MET CE . 11185 1 56 . 1 1 10 10 MET CG C 13 33.496 0.300 . 1 . . . . 10 MET CG . 11185 1 57 . 1 1 10 10 MET N N 15 122.644 0.300 . 1 . . . . 10 MET N . 11185 1 58 . 1 1 11 11 VAL H H 1 9.351 0.030 . 1 . . . . 11 VAL H . 11185 1 59 . 1 1 11 11 VAL HA H 1 5.016 0.030 . 1 . . . . 11 VAL HA . 11185 1 60 . 1 1 11 11 VAL HB H 1 1.729 0.030 . 1 . . . . 11 VAL HB . 11185 1 61 . 1 1 11 11 VAL HG11 H 1 0.805 0.030 . 1 . . . . 11 VAL HG1 . 11185 1 62 . 1 1 11 11 VAL HG12 H 1 0.805 0.030 . 1 . . . . 11 VAL HG1 . 11185 1 63 . 1 1 11 11 VAL HG13 H 1 0.805 0.030 . 1 . . . . 11 VAL HG1 . 11185 1 64 . 1 1 11 11 VAL HG21 H 1 0.854 0.030 . 1 . . . . 11 VAL HG2 . 11185 1 65 . 1 1 11 11 VAL HG22 H 1 0.854 0.030 . 1 . . . . 11 VAL HG2 . 11185 1 66 . 1 1 11 11 VAL HG23 H 1 0.854 0.030 . 1 . . . . 11 VAL HG2 . 11185 1 67 . 1 1 11 11 VAL C C 13 174.299 0.300 . 1 . . . . 11 VAL C . 11185 1 68 . 1 1 11 11 VAL CA C 13 58.699 0.300 . 1 . . . . 11 VAL CA . 11185 1 69 . 1 1 11 11 VAL CB C 13 34.419 0.300 . 1 . . . . 11 VAL CB . 11185 1 70 . 1 1 11 11 VAL CG1 C 13 19.700 0.300 . 2 . . . . 11 VAL CG1 . 11185 1 71 . 1 1 11 11 VAL CG2 C 13 22.197 0.300 . 2 . . . . 11 VAL CG2 . 11185 1 72 . 1 1 11 11 VAL N N 15 120.586 0.300 . 1 . . . . 11 VAL N . 11185 1 73 . 1 1 12 12 ALA H H 1 8.574 0.030 . 1 . . . . 12 ALA H . 11185 1 74 . 1 1 12 12 ALA HA H 1 4.707 0.030 . 1 . . . . 12 ALA HA . 11185 1 75 . 1 1 12 12 ALA HB1 H 1 1.578 0.030 . 1 . . . . 12 ALA HB . 11185 1 76 . 1 1 12 12 ALA HB2 H 1 1.578 0.030 . 1 . . . . 12 ALA HB . 11185 1 77 . 1 1 12 12 ALA HB3 H 1 1.578 0.030 . 1 . . . . 12 ALA HB . 11185 1 78 . 1 1 12 12 ALA C C 13 179.912 0.300 . 1 . . . . 12 ALA C . 11185 1 79 . 1 1 12 12 ALA CA C 13 51.863 0.300 . 1 . . . . 12 ALA CA . 11185 1 80 . 1 1 12 12 ALA CB C 13 20.726 0.300 . 1 . . . . 12 ALA CB . 11185 1 81 . 1 1 12 12 ALA N N 15 127.366 0.300 . 1 . . . . 12 ALA N . 11185 1 82 . 1 1 13 13 LEU H H 1 9.334 0.030 . 1 . . . . 13 LEU H . 11185 1 83 . 1 1 13 13 LEU HA H 1 3.956 0.030 . 1 . . . . 13 LEU HA . 11185 1 84 . 1 1 13 13 LEU HB2 H 1 0.585 0.030 . 2 . . . . 13 LEU HB2 . 11185 1 85 . 1 1 13 13 LEU HB3 H 1 0.963 0.030 . 2 . . . . 13 LEU HB3 . 11185 1 86 . 1 1 13 13 LEU HD11 H 1 0.618 0.030 . 1 . . . . 13 LEU HD1 . 11185 1 87 . 1 1 13 13 LEU HD12 H 1 0.618 0.030 . 1 . . . . 13 LEU HD1 . 11185 1 88 . 1 1 13 13 LEU HD13 H 1 0.618 0.030 . 1 . . . . 13 LEU HD1 . 11185 1 89 . 1 1 13 13 LEU HD21 H 1 0.664 0.030 . 1 . . . . 13 LEU HD2 . 11185 1 90 . 1 1 13 13 LEU HD22 H 1 0.664 0.030 . 1 . . . . 13 LEU HD2 . 11185 1 91 . 1 1 13 13 LEU HD23 H 1 0.664 0.030 . 1 . . . . 13 LEU HD2 . 11185 1 92 . 1 1 13 13 LEU HG H 1 1.347 0.030 . 1 . . . . 13 LEU HG . 11185 1 93 . 1 1 13 13 LEU C C 13 175.319 0.300 . 1 . . . . 13 LEU C . 11185 1 94 . 1 1 13 13 LEU CA C 13 55.678 0.300 . 1 . . . . 13 LEU CA . 11185 1 95 . 1 1 13 13 LEU CB C 13 43.888 0.300 . 1 . . . . 13 LEU CB . 11185 1 96 . 1 1 13 13 LEU CD1 C 13 22.094 0.300 . 2 . . . . 13 LEU CD1 . 11185 1 97 . 1 1 13 13 LEU CD2 C 13 25.396 0.300 . 2 . . . . 13 LEU CD2 . 11185 1 98 . 1 1 13 13 LEU CG C 13 26.804 0.300 . 1 . . . . 13 LEU CG . 11185 1 99 . 1 1 13 13 LEU N N 15 125.959 0.300 . 1 . . . . 13 LEU N . 11185 1 100 . 1 1 14 14 TYR H H 1 7.210 0.030 . 1 . . . . 14 TYR H . 11185 1 101 . 1 1 14 14 TYR HA H 1 4.905 0.030 . 1 . . . . 14 TYR HA . 11185 1 102 . 1 1 14 14 TYR HB2 H 1 3.260 0.030 . 2 . . . . 14 TYR HB2 . 11185 1 103 . 1 1 14 14 TYR HB3 H 1 2.450 0.030 . 2 . . . . 14 TYR HB3 . 11185 1 104 . 1 1 14 14 TYR HD1 H 1 6.699 0.030 . 1 . . . . 14 TYR HD1 . 11185 1 105 . 1 1 14 14 TYR HD2 H 1 6.699 0.030 . 1 . . . . 14 TYR HD2 . 11185 1 106 . 1 1 14 14 TYR HE1 H 1 6.654 0.030 . 1 . . . . 14 TYR HE1 . 11185 1 107 . 1 1 14 14 TYR HE2 H 1 6.654 0.030 . 1 . . . . 14 TYR HE2 . 11185 1 108 . 1 1 14 14 TYR C C 13 173.870 0.300 . 1 . . . . 14 TYR C . 11185 1 109 . 1 1 14 14 TYR CA C 13 54.374 0.300 . 1 . . . . 14 TYR CA . 11185 1 110 . 1 1 14 14 TYR CB C 13 42.321 0.300 . 1 . . . . 14 TYR CB . 11185 1 111 . 1 1 14 14 TYR CD1 C 13 133.910 0.300 . 1 . . . . 14 TYR CD1 . 11185 1 112 . 1 1 14 14 TYR CD2 C 13 133.910 0.300 . 1 . . . . 14 TYR CD2 . 11185 1 113 . 1 1 14 14 TYR CE1 C 13 117.530 0.300 . 1 . . . . 14 TYR CE1 . 11185 1 114 . 1 1 14 14 TYR CE2 C 13 117.530 0.300 . 1 . . . . 14 TYR CE2 . 11185 1 115 . 1 1 14 14 TYR N N 15 112.750 0.300 . 1 . . . . 14 TYR N . 11185 1 116 . 1 1 15 15 ASP H H 1 8.128 0.030 . 1 . . . . 15 ASP H . 11185 1 117 . 1 1 15 15 ASP HA H 1 4.633 0.030 . 1 . . . . 15 ASP HA . 11185 1 118 . 1 1 15 15 ASP HB2 H 1 2.822 0.030 . 2 . . . . 15 ASP HB2 . 11185 1 119 . 1 1 15 15 ASP HB3 H 1 2.634 0.030 . 2 . . . . 15 ASP HB3 . 11185 1 120 . 1 1 15 15 ASP C C 13 175.722 0.300 . 1 . . . . 15 ASP C . 11185 1 121 . 1 1 15 15 ASP CA C 13 54.187 0.300 . 1 . . . . 15 ASP CA . 11185 1 122 . 1 1 15 15 ASP CB C 13 41.419 0.300 . 1 . . . . 15 ASP CB . 11185 1 123 . 1 1 15 15 ASP N N 15 116.868 0.300 . 1 . . . . 15 ASP N . 11185 1 124 . 1 1 16 16 TYR H H 1 8.166 0.030 . 1 . . . . 16 TYR H . 11185 1 125 . 1 1 16 16 TYR HA H 1 4.409 0.030 . 1 . . . . 16 TYR HA . 11185 1 126 . 1 1 16 16 TYR HB2 H 1 1.956 0.030 . 2 . . . . 16 TYR HB2 . 11185 1 127 . 1 1 16 16 TYR HB3 H 1 0.963 0.030 . 2 . . . . 16 TYR HB3 . 11185 1 128 . 1 1 16 16 TYR HD1 H 1 6.811 0.030 . 1 . . . . 16 TYR HD1 . 11185 1 129 . 1 1 16 16 TYR HD2 H 1 6.811 0.030 . 1 . . . . 16 TYR HD2 . 11185 1 130 . 1 1 16 16 TYR HE1 H 1 6.742 0.030 . 1 . . . . 16 TYR HE1 . 11185 1 131 . 1 1 16 16 TYR HE2 H 1 6.742 0.030 . 1 . . . . 16 TYR HE2 . 11185 1 132 . 1 1 16 16 TYR C C 13 172.533 0.300 . 1 . . . . 16 TYR C . 11185 1 133 . 1 1 16 16 TYR CA C 13 58.080 0.300 . 1 . . . . 16 TYR CA . 11185 1 134 . 1 1 16 16 TYR CB C 13 41.549 0.300 . 1 . . . . 16 TYR CB . 11185 1 135 . 1 1 16 16 TYR CD1 C 13 133.305 0.300 . 1 . . . . 16 TYR CD1 . 11185 1 136 . 1 1 16 16 TYR CD2 C 13 133.305 0.300 . 1 . . . . 16 TYR CD2 . 11185 1 137 . 1 1 16 16 TYR CE1 C 13 117.377 0.300 . 1 . . . . 16 TYR CE1 . 11185 1 138 . 1 1 16 16 TYR CE2 C 13 117.377 0.300 . 1 . . . . 16 TYR CE2 . 11185 1 139 . 1 1 16 16 TYR N N 15 121.376 0.300 . 1 . . . . 16 TYR N . 11185 1 140 . 1 1 17 17 ASP H H 1 7.855 0.030 . 1 . . . . 17 ASP H . 11185 1 141 . 1 1 17 17 ASP HA H 1 4.900 0.030 . 1 . . . . 17 ASP HA . 11185 1 142 . 1 1 17 17 ASP HB2 H 1 2.392 0.030 . 2 . . . . 17 ASP HB2 . 11185 1 143 . 1 1 17 17 ASP HB3 H 1 2.674 0.030 . 2 . . . . 17 ASP HB3 . 11185 1 144 . 1 1 17 17 ASP C C 13 174.563 0.300 . 1 . . . . 17 ASP C . 11185 1 145 . 1 1 17 17 ASP CA C 13 49.572 0.300 . 1 . . . . 17 ASP CA . 11185 1 146 . 1 1 17 17 ASP CB C 13 41.933 0.300 . 1 . . . . 17 ASP CB . 11185 1 147 . 1 1 17 17 ASP N N 15 125.647 0.300 . 1 . . . . 17 ASP N . 11185 1 148 . 1 1 18 18 PRO HA H 1 3.763 0.030 . 1 . . . . 18 PRO HA . 11185 1 149 . 1 1 18 18 PRO HB2 H 1 1.795 0.030 . 2 . . . . 18 PRO HB2 . 11185 1 150 . 1 1 18 18 PRO HB3 H 1 2.397 0.030 . 2 . . . . 18 PRO HB3 . 11185 1 151 . 1 1 18 18 PRO HD2 H 1 3.225 0.030 . 2 . . . . 18 PRO HD2 . 11185 1 152 . 1 1 18 18 PRO HD3 H 1 3.912 0.030 . 2 . . . . 18 PRO HD3 . 11185 1 153 . 1 1 18 18 PRO HG2 H 1 1.726 0.030 . 2 . . . . 18 PRO HG2 . 11185 1 154 . 1 1 18 18 PRO HG3 H 1 1.902 0.030 . 2 . . . . 18 PRO HG3 . 11185 1 155 . 1 1 18 18 PRO C C 13 177.850 0.300 . 1 . . . . 18 PRO C . 11185 1 156 . 1 1 18 18 PRO CA C 13 63.676 0.300 . 1 . . . . 18 PRO CA . 11185 1 157 . 1 1 18 18 PRO CB C 13 32.427 0.300 . 1 . . . . 18 PRO CB . 11185 1 158 . 1 1 18 18 PRO CD C 13 51.370 0.300 . 1 . . . . 18 PRO CD . 11185 1 159 . 1 1 18 18 PRO CG C 13 26.872 0.300 . 1 . . . . 18 PRO CG . 11185 1 160 . 1 1 19 19 ARG H H 1 7.960 0.030 . 1 . . . . 19 ARG H . 11185 1 161 . 1 1 19 19 ARG HA H 1 3.935 0.030 . 1 . . . . 19 ARG HA . 11185 1 162 . 1 1 19 19 ARG HB2 H 1 1.808 0.030 . 1 . . . . 19 ARG HB2 . 11185 1 163 . 1 1 19 19 ARG HB3 H 1 1.808 0.030 . 1 . . . . 19 ARG HB3 . 11185 1 164 . 1 1 19 19 ARG HD2 H 1 3.170 0.030 . 2 . . . . 19 ARG HD2 . 11185 1 165 . 1 1 19 19 ARG HD3 H 1 3.219 0.030 . 2 . . . . 19 ARG HD3 . 11185 1 166 . 1 1 19 19 ARG HE H 1 7.542 0.030 . 1 . . . . 19 ARG HE . 11185 1 167 . 1 1 19 19 ARG HG2 H 1 1.626 0.030 . 1 . . . . 19 ARG HG2 . 11185 1 168 . 1 1 19 19 ARG HG3 H 1 1.626 0.030 . 1 . . . . 19 ARG HG3 . 11185 1 169 . 1 1 19 19 ARG C C 13 177.499 0.300 . 1 . . . . 19 ARG C . 11185 1 170 . 1 1 19 19 ARG CA C 13 58.226 0.300 . 1 . . . . 19 ARG CA . 11185 1 171 . 1 1 19 19 ARG CB C 13 29.786 0.300 . 1 . . . . 19 ARG CB . 11185 1 172 . 1 1 19 19 ARG CD C 13 43.263 0.300 . 1 . . . . 19 ARG CD . 11185 1 173 . 1 1 19 19 ARG CG C 13 27.416 0.300 . 1 . . . . 19 ARG CG . 11185 1 174 . 1 1 19 19 ARG N N 15 116.587 0.300 . 1 . . . . 19 ARG N . 11185 1 175 . 1 1 19 19 ARG NE N 15 124.732 0.300 . 1 . . . . 19 ARG NE . 11185 1 176 . 1 1 20 20 GLU H H 1 7.489 0.030 . 1 . . . . 20 GLU H . 11185 1 177 . 1 1 20 20 GLU HA H 1 4.262 0.030 . 1 . . . . 20 GLU HA . 11185 1 178 . 1 1 20 20 GLU HB2 H 1 2.057 0.030 . 2 . . . . 20 GLU HB2 . 11185 1 179 . 1 1 20 20 GLU HB3 H 1 1.901 0.030 . 2 . . . . 20 GLU HB3 . 11185 1 180 . 1 1 20 20 GLU HG2 H 1 2.121 0.030 . 2 . . . . 20 GLU HG2 . 11185 1 181 . 1 1 20 20 GLU HG3 H 1 2.228 0.030 . 2 . . . . 20 GLU HG3 . 11185 1 182 . 1 1 20 20 GLU C C 13 177.949 0.300 . 1 . . . . 20 GLU C . 11185 1 183 . 1 1 20 20 GLU CA C 13 56.980 0.300 . 1 . . . . 20 GLU CA . 11185 1 184 . 1 1 20 20 GLU CB C 13 30.827 0.300 . 1 . . . . 20 GLU CB . 11185 1 185 . 1 1 20 20 GLU CG C 13 35.894 0.300 . 1 . . . . 20 GLU CG . 11185 1 186 . 1 1 20 20 GLU N N 15 116.466 0.300 . 1 . . . . 20 GLU N . 11185 1 187 . 1 1 21 21 SER H H 1 7.731 0.030 . 1 . . . . 21 SER H . 11185 1 188 . 1 1 21 21 SER HA H 1 4.578 0.030 . 1 . . . . 21 SER HA . 11185 1 189 . 1 1 21 21 SER HB2 H 1 3.989 0.030 . 2 . . . . 21 SER HB2 . 11185 1 190 . 1 1 21 21 SER HB3 H 1 3.584 0.030 . 2 . . . . 21 SER HB3 . 11185 1 191 . 1 1 21 21 SER C C 13 174.200 0.300 . 1 . . . . 21 SER C . 11185 1 192 . 1 1 21 21 SER CA C 13 59.263 0.300 . 1 . . . . 21 SER CA . 11185 1 193 . 1 1 21 21 SER CB C 13 64.964 0.300 . 1 . . . . 21 SER CB . 11185 1 194 . 1 1 21 21 SER N N 15 112.569 0.300 . 1 . . . . 21 SER N . 11185 1 195 . 1 1 22 22 SER H H 1 8.170 0.030 . 1 . . . . 22 SER H . 11185 1 196 . 1 1 22 22 SER HA H 1 4.971 0.030 . 1 . . . . 22 SER HA . 11185 1 197 . 1 1 22 22 SER HB2 H 1 3.832 0.030 . 2 . . . . 22 SER HB2 . 11185 1 198 . 1 1 22 22 SER HB3 H 1 4.105 0.030 . 2 . . . . 22 SER HB3 . 11185 1 199 . 1 1 22 22 SER C C 13 174.480 0.300 . 1 . . . . 22 SER C . 11185 1 200 . 1 1 22 22 SER CA C 13 56.290 0.300 . 1 . . . . 22 SER CA . 11185 1 201 . 1 1 22 22 SER CB C 13 64.218 0.300 . 1 . . . . 22 SER CB . 11185 1 202 . 1 1 22 22 SER N N 15 117.541 0.300 . 1 . . . . 22 SER N . 11185 1 203 . 1 1 23 23 PRO HA H 1 4.578 0.030 . 1 . . . . 23 PRO HA . 11185 1 204 . 1 1 23 23 PRO HB2 H 1 2.261 0.030 . 2 . . . . 23 PRO HB2 . 11185 1 205 . 1 1 23 23 PRO HB3 H 1 2.015 0.030 . 2 . . . . 23 PRO HB3 . 11185 1 206 . 1 1 23 23 PRO HD2 H 1 3.833 0.030 . 2 . . . . 23 PRO HD2 . 11185 1 207 . 1 1 23 23 PRO HD3 H 1 4.014 0.030 . 2 . . . . 23 PRO HD3 . 11185 1 208 . 1 1 23 23 PRO HG2 H 1 1.933 0.030 . 2 . . . . 23 PRO HG2 . 11185 1 209 . 1 1 23 23 PRO HG3 H 1 2.091 0.030 . 2 . . . . 23 PRO HG3 . 11185 1 210 . 1 1 23 23 PRO C C 13 176.768 0.300 . 1 . . . . 23 PRO C . 11185 1 211 . 1 1 23 23 PRO CA C 13 63.498 0.300 . 1 . . . . 23 PRO CA . 11185 1 212 . 1 1 23 23 PRO CB C 13 32.074 0.300 . 1 . . . . 23 PRO CB . 11185 1 213 . 1 1 23 23 PRO CD C 13 50.881 0.300 . 1 . . . . 23 PRO CD . 11185 1 214 . 1 1 23 23 PRO CG C 13 26.668 0.300 . 1 . . . . 23 PRO CG . 11185 1 215 . 1 1 24 24 ASN H H 1 8.553 0.030 . 1 . . . . 24 ASN H . 11185 1 216 . 1 1 24 24 ASN HA H 1 4.730 0.030 . 1 . . . . 24 ASN HA . 11185 1 217 . 1 1 24 24 ASN HB2 H 1 2.803 0.030 . 2 . . . . 24 ASN HB2 . 11185 1 218 . 1 1 24 24 ASN HB3 H 1 2.664 0.030 . 2 . . . . 24 ASN HB3 . 11185 1 219 . 1 1 24 24 ASN HD21 H 1 6.707 0.030 . 2 . . . . 24 ASN HD21 . 11185 1 220 . 1 1 24 24 ASN HD22 H 1 7.712 0.030 . 2 . . . . 24 ASN HD22 . 11185 1 221 . 1 1 24 24 ASN C C 13 174.778 0.300 . 1 . . . . 24 ASN C . 11185 1 222 . 1 1 24 24 ASN CA C 13 53.071 0.300 . 1 . . . . 24 ASN CA . 11185 1 223 . 1 1 24 24 ASN CB C 13 39.387 0.300 . 1 . . . . 24 ASN CB . 11185 1 224 . 1 1 24 24 ASN N N 15 118.753 0.300 . 1 . . . . 24 ASN N . 11185 1 225 . 1 1 24 24 ASN ND2 N 15 113.794 0.300 . 1 . . . . 24 ASN ND2 . 11185 1 226 . 1 1 25 25 VAL H H 1 7.899 0.030 . 1 . . . . 25 VAL H . 11185 1 227 . 1 1 25 25 VAL HA H 1 4.014 0.030 . 1 . . . . 25 VAL HA . 11185 1 228 . 1 1 25 25 VAL HB H 1 2.047 0.030 . 1 . . . . 25 VAL HB . 11185 1 229 . 1 1 25 25 VAL HG11 H 1 0.939 0.030 . 1 . . . . 25 VAL HG1 . 11185 1 230 . 1 1 25 25 VAL HG12 H 1 0.939 0.030 . 1 . . . . 25 VAL HG1 . 11185 1 231 . 1 1 25 25 VAL HG13 H 1 0.939 0.030 . 1 . . . . 25 VAL HG1 . 11185 1 232 . 1 1 25 25 VAL HG21 H 1 0.927 0.030 . 1 . . . . 25 VAL HG2 . 11185 1 233 . 1 1 25 25 VAL HG22 H 1 0.927 0.030 . 1 . . . . 25 VAL HG2 . 11185 1 234 . 1 1 25 25 VAL HG23 H 1 0.927 0.030 . 1 . . . . 25 VAL HG2 . 11185 1 235 . 1 1 25 25 VAL C C 13 176.184 0.300 . 1 . . . . 25 VAL C . 11185 1 236 . 1 1 25 25 VAL CA C 13 63.235 0.300 . 1 . . . . 25 VAL CA . 11185 1 237 . 1 1 25 25 VAL CB C 13 32.682 0.300 . 1 . . . . 25 VAL CB . 11185 1 238 . 1 1 25 25 VAL CG1 C 13 20.866 0.300 . 2 . . . . 25 VAL CG1 . 11185 1 239 . 1 1 25 25 VAL CG2 C 13 21.139 0.300 . 2 . . . . 25 VAL CG2 . 11185 1 240 . 1 1 25 25 VAL N N 15 118.227 0.300 . 1 . . . . 25 VAL N . 11185 1 241 . 1 1 26 26 ASP H H 1 8.263 0.030 . 1 . . . . 26 ASP H . 11185 1 242 . 1 1 26 26 ASP HA H 1 4.749 0.030 . 1 . . . . 26 ASP HA . 11185 1 243 . 1 1 26 26 ASP HB2 H 1 2.794 0.030 . 2 . . . . 26 ASP HB2 . 11185 1 244 . 1 1 26 26 ASP HB3 H 1 2.539 0.030 . 2 . . . . 26 ASP HB3 . 11185 1 245 . 1 1 26 26 ASP C C 13 176.720 0.300 . 1 . . . . 26 ASP C . 11185 1 246 . 1 1 26 26 ASP CA C 13 53.658 0.300 . 1 . . . . 26 ASP CA . 11185 1 247 . 1 1 26 26 ASP CB C 13 40.553 0.300 . 1 . . . . 26 ASP CB . 11185 1 248 . 1 1 26 26 ASP N N 15 121.776 0.300 . 1 . . . . 26 ASP N . 11185 1 249 . 1 1 27 27 VAL H H 1 7.987 0.030 . 1 . . . . 27 VAL H . 11185 1 250 . 1 1 27 27 VAL HA H 1 4.104 0.030 . 1 . . . . 27 VAL HA . 11185 1 251 . 1 1 27 27 VAL HB H 1 2.131 0.030 . 1 . . . . 27 VAL HB . 11185 1 252 . 1 1 27 27 VAL HG11 H 1 0.834 0.030 . 1 . . . . 27 VAL HG1 . 11185 1 253 . 1 1 27 27 VAL HG12 H 1 0.834 0.030 . 1 . . . . 27 VAL HG1 . 11185 1 254 . 1 1 27 27 VAL HG13 H 1 0.834 0.030 . 1 . . . . 27 VAL HG1 . 11185 1 255 . 1 1 27 27 VAL HG21 H 1 0.864 0.030 . 1 . . . . 27 VAL HG2 . 11185 1 256 . 1 1 27 27 VAL HG22 H 1 0.864 0.030 . 1 . . . . 27 VAL HG2 . 11185 1 257 . 1 1 27 27 VAL HG23 H 1 0.864 0.030 . 1 . . . . 27 VAL HG2 . 11185 1 258 . 1 1 27 27 VAL C C 13 176.819 0.300 . 1 . . . . 27 VAL C . 11185 1 259 . 1 1 27 27 VAL CA C 13 62.536 0.300 . 1 . . . . 27 VAL CA . 11185 1 260 . 1 1 27 27 VAL CB C 13 32.238 0.300 . 1 . . . . 27 VAL CB . 11185 1 261 . 1 1 27 27 VAL CG1 C 13 19.547 0.300 . 2 . . . . 27 VAL CG1 . 11185 1 262 . 1 1 27 27 VAL CG2 C 13 21.657 0.300 . 2 . . . . 27 VAL CG2 . 11185 1 263 . 1 1 27 27 VAL N N 15 118.976 0.300 . 1 . . . . 27 VAL N . 11185 1 264 . 1 1 28 28 GLU H H 1 8.363 0.030 . 1 . . . . 28 GLU H . 11185 1 265 . 1 1 28 28 GLU HA H 1 4.198 0.030 . 1 . . . . 28 GLU HA . 11185 1 266 . 1 1 28 28 GLU HB2 H 1 2.010 0.030 . 2 . . . . 28 GLU HB2 . 11185 1 267 . 1 1 28 28 GLU HB3 H 1 2.104 0.030 . 2 . . . . 28 GLU HB3 . 11185 1 268 . 1 1 28 28 GLU HG2 H 1 2.335 0.030 . 2 . . . . 28 GLU HG2 . 11185 1 269 . 1 1 28 28 GLU HG3 H 1 2.309 0.030 . 2 . . . . 28 GLU HG3 . 11185 1 270 . 1 1 28 28 GLU C C 13 176.531 0.300 . 1 . . . . 28 GLU C . 11185 1 271 . 1 1 28 28 GLU CA C 13 57.739 0.300 . 1 . . . . 28 GLU CA . 11185 1 272 . 1 1 28 28 GLU CB C 13 29.532 0.300 . 1 . . . . 28 GLU CB . 11185 1 273 . 1 1 28 28 GLU CG C 13 36.598 0.300 . 1 . . . . 28 GLU CG . 11185 1 274 . 1 1 28 28 GLU N N 15 121.440 0.300 . 1 . . . . 28 GLU N . 11185 1 275 . 1 1 29 29 ALA H H 1 8.010 0.030 . 1 . . . . 29 ALA H . 11185 1 276 . 1 1 29 29 ALA HA H 1 4.410 0.030 . 1 . . . . 29 ALA HA . 11185 1 277 . 1 1 29 29 ALA HB1 H 1 1.465 0.030 . 1 . . . . 29 ALA HB . 11185 1 278 . 1 1 29 29 ALA HB2 H 1 1.465 0.030 . 1 . . . . 29 ALA HB . 11185 1 279 . 1 1 29 29 ALA HB3 H 1 1.465 0.030 . 1 . . . . 29 ALA HB . 11185 1 280 . 1 1 29 29 ALA C C 13 177.695 0.300 . 1 . . . . 29 ALA C . 11185 1 281 . 1 1 29 29 ALA CA C 13 52.587 0.300 . 1 . . . . 29 ALA CA . 11185 1 282 . 1 1 29 29 ALA CB C 13 19.816 0.300 . 1 . . . . 29 ALA CB . 11185 1 283 . 1 1 29 29 ALA N N 15 121.006 0.300 . 1 . . . . 29 ALA N . 11185 1 284 . 1 1 30 30 GLU H H 1 7.792 0.030 . 1 . . . . 30 GLU H . 11185 1 285 . 1 1 30 30 GLU HA H 1 4.884 0.030 . 1 . . . . 30 GLU HA . 11185 1 286 . 1 1 30 30 GLU HB2 H 1 1.928 0.030 . 2 . . . . 30 GLU HB2 . 11185 1 287 . 1 1 30 30 GLU HB3 H 1 2.461 0.030 . 2 . . . . 30 GLU HB3 . 11185 1 288 . 1 1 30 30 GLU HG2 H 1 2.006 0.030 . 2 . . . . 30 GLU HG2 . 11185 1 289 . 1 1 30 30 GLU HG3 H 1 2.123 0.030 . 2 . . . . 30 GLU HG3 . 11185 1 290 . 1 1 30 30 GLU C C 13 176.301 0.300 . 1 . . . . 30 GLU C . 11185 1 291 . 1 1 30 30 GLU CA C 13 55.744 0.300 . 1 . . . . 30 GLU CA . 11185 1 292 . 1 1 30 30 GLU CB C 13 32.899 0.300 . 1 . . . . 30 GLU CB . 11185 1 293 . 1 1 30 30 GLU CG C 13 37.060 0.300 . 1 . . . . 30 GLU CG . 11185 1 294 . 1 1 30 30 GLU N N 15 118.497 0.300 . 1 . . . . 30 GLU N . 11185 1 295 . 1 1 31 31 LEU H H 1 8.314 0.030 . 1 . . . . 31 LEU H . 11185 1 296 . 1 1 31 31 LEU HA H 1 4.416 0.030 . 1 . . . . 31 LEU HA . 11185 1 297 . 1 1 31 31 LEU HB2 H 1 1.535 0.030 . 2 . . . . 31 LEU HB2 . 11185 1 298 . 1 1 31 31 LEU HB3 H 1 1.593 0.030 . 2 . . . . 31 LEU HB3 . 11185 1 299 . 1 1 31 31 LEU HD11 H 1 0.647 0.030 . 1 . . . . 31 LEU HD1 . 11185 1 300 . 1 1 31 31 LEU HD12 H 1 0.647 0.030 . 1 . . . . 31 LEU HD1 . 11185 1 301 . 1 1 31 31 LEU HD13 H 1 0.647 0.030 . 1 . . . . 31 LEU HD1 . 11185 1 302 . 1 1 31 31 LEU HD21 H 1 0.690 0.030 . 1 . . . . 31 LEU HD2 . 11185 1 303 . 1 1 31 31 LEU HD22 H 1 0.690 0.030 . 1 . . . . 31 LEU HD2 . 11185 1 304 . 1 1 31 31 LEU HD23 H 1 0.690 0.030 . 1 . . . . 31 LEU HD2 . 11185 1 305 . 1 1 31 31 LEU HG H 1 1.345 0.030 . 1 . . . . 31 LEU HG . 11185 1 306 . 1 1 31 31 LEU C C 13 174.770 0.300 . 1 . . . . 31 LEU C . 11185 1 307 . 1 1 31 31 LEU CA C 13 54.683 0.300 . 1 . . . . 31 LEU CA . 11185 1 308 . 1 1 31 31 LEU CB C 13 43.584 0.300 . 1 . . . . 31 LEU CB . 11185 1 309 . 1 1 31 31 LEU CD1 C 13 25.171 0.300 . 2 . . . . 31 LEU CD1 . 11185 1 310 . 1 1 31 31 LEU CD2 C 13 23.063 0.300 . 2 . . . . 31 LEU CD2 . 11185 1 311 . 1 1 31 31 LEU CG C 13 27.000 0.300 . 1 . . . . 31 LEU CG . 11185 1 312 . 1 1 31 31 LEU N N 15 121.468 0.300 . 1 . . . . 31 LEU N . 11185 1 313 . 1 1 32 32 THR H H 1 7.627 0.030 . 1 . . . . 32 THR H . 11185 1 314 . 1 1 32 32 THR HA H 1 4.662 0.030 . 1 . . . . 32 THR HA . 11185 1 315 . 1 1 32 32 THR HB H 1 3.986 0.030 . 1 . . . . 32 THR HB . 11185 1 316 . 1 1 32 32 THR HG21 H 1 1.248 0.030 . 1 . . . . 32 THR HG2 . 11185 1 317 . 1 1 32 32 THR HG22 H 1 1.248 0.030 . 1 . . . . 32 THR HG2 . 11185 1 318 . 1 1 32 32 THR HG23 H 1 1.248 0.030 . 1 . . . . 32 THR HG2 . 11185 1 319 . 1 1 32 32 THR C C 13 174.170 0.300 . 1 . . . . 32 THR C . 11185 1 320 . 1 1 32 32 THR CA C 13 61.516 0.300 . 1 . . . . 32 THR CA . 11185 1 321 . 1 1 32 32 THR CB C 13 70.483 0.300 . 1 . . . . 32 THR CB . 11185 1 322 . 1 1 32 32 THR CG2 C 13 20.997 0.300 . 1 . . . . 32 THR CG2 . 11185 1 323 . 1 1 32 32 THR N N 15 114.291 0.300 . 1 . . . . 32 THR N . 11185 1 324 . 1 1 33 33 PHE H H 1 8.304 0.030 . 1 . . . . 33 PHE H . 11185 1 325 . 1 1 33 33 PHE HA H 1 5.036 0.030 . 1 . . . . 33 PHE HA . 11185 1 326 . 1 1 33 33 PHE HB2 H 1 3.165 0.030 . 2 . . . . 33 PHE HB2 . 11185 1 327 . 1 1 33 33 PHE HB3 H 1 3.414 0.030 . 2 . . . . 33 PHE HB3 . 11185 1 328 . 1 1 33 33 PHE HD1 H 1 6.914 0.030 . 1 . . . . 33 PHE HD1 . 11185 1 329 . 1 1 33 33 PHE HD2 H 1 6.914 0.030 . 1 . . . . 33 PHE HD2 . 11185 1 330 . 1 1 33 33 PHE HE1 H 1 7.467 0.030 . 1 . . . . 33 PHE HE1 . 11185 1 331 . 1 1 33 33 PHE HE2 H 1 7.467 0.030 . 1 . . . . 33 PHE HE2 . 11185 1 332 . 1 1 33 33 PHE HZ H 1 6.728 0.030 . 1 . . . . 33 PHE HZ . 11185 1 333 . 1 1 33 33 PHE C C 13 174.090 0.300 . 1 . . . . 33 PHE C . 11185 1 334 . 1 1 33 33 PHE CA C 13 56.529 0.300 . 1 . . . . 33 PHE CA . 11185 1 335 . 1 1 33 33 PHE CB C 13 40.750 0.300 . 1 . . . . 33 PHE CB . 11185 1 336 . 1 1 33 33 PHE CD1 C 13 132.955 0.300 . 1 . . . . 33 PHE CD1 . 11185 1 337 . 1 1 33 33 PHE CD2 C 13 132.955 0.300 . 1 . . . . 33 PHE CD2 . 11185 1 338 . 1 1 33 33 PHE CE1 C 13 131.643 0.300 . 1 . . . . 33 PHE CE1 . 11185 1 339 . 1 1 33 33 PHE CE2 C 13 131.643 0.300 . 1 . . . . 33 PHE CE2 . 11185 1 340 . 1 1 33 33 PHE CZ C 13 128.729 0.300 . 1 . . . . 33 PHE CZ . 11185 1 341 . 1 1 33 33 PHE N N 15 119.433 0.300 . 1 . . . . 33 PHE N . 11185 1 342 . 1 1 34 34 CYS H H 1 9.767 0.030 . 1 . . . . 34 CYS H . 11185 1 343 . 1 1 34 34 CYS HA H 1 5.099 0.030 . 1 . . . . 34 CYS HA . 11185 1 344 . 1 1 34 34 CYS HB2 H 1 2.715 0.030 . 2 . . . . 34 CYS HB2 . 11185 1 345 . 1 1 34 34 CYS HB3 H 1 3.035 0.030 . 2 . . . . 34 CYS HB3 . 11185 1 346 . 1 1 34 34 CYS C C 13 173.353 0.300 . 1 . . . . 34 CYS C . 11185 1 347 . 1 1 34 34 CYS CA C 13 57.276 0.300 . 1 . . . . 34 CYS CA . 11185 1 348 . 1 1 34 34 CYS CB C 13 31.980 0.300 . 1 . . . . 34 CYS CB . 11185 1 349 . 1 1 34 34 CYS N N 15 120.293 0.300 . 1 . . . . 34 CYS N . 11185 1 350 . 1 1 35 35 THR H H 1 9.064 0.030 . 1 . . . . 35 THR H . 11185 1 351 . 1 1 35 35 THR HA H 1 3.248 0.030 . 1 . . . . 35 THR HA . 11185 1 352 . 1 1 35 35 THR HB H 1 3.885 0.030 . 1 . . . . 35 THR HB . 11185 1 353 . 1 1 35 35 THR HG21 H 1 1.031 0.030 . 1 . . . . 35 THR HG2 . 11185 1 354 . 1 1 35 35 THR HG22 H 1 1.031 0.030 . 1 . . . . 35 THR HG2 . 11185 1 355 . 1 1 35 35 THR HG23 H 1 1.031 0.030 . 1 . . . . 35 THR HG2 . 11185 1 356 . 1 1 35 35 THR C C 13 175.622 0.300 . 1 . . . . 35 THR C . 11185 1 357 . 1 1 35 35 THR CA C 13 65.768 0.300 . 1 . . . . 35 THR CA . 11185 1 358 . 1 1 35 35 THR CB C 13 69.332 0.300 . 1 . . . . 35 THR CB . 11185 1 359 . 1 1 35 35 THR CG2 C 13 21.216 0.300 . 1 . . . . 35 THR CG2 . 11185 1 360 . 1 1 35 35 THR N N 15 118.347 0.300 . 1 . . . . 35 THR N . 11185 1 361 . 1 1 36 36 GLY H H 1 9.125 0.030 . 1 . . . . 36 GLY H . 11185 1 362 . 1 1 36 36 GLY HA2 H 1 4.387 0.030 . 2 . . . . 36 GLY HA2 . 11185 1 363 . 1 1 36 36 GLY HA3 H 1 3.422 0.030 . 2 . . . . 36 GLY HA3 . 11185 1 364 . 1 1 36 36 GLY C C 13 174.384 0.300 . 1 . . . . 36 GLY C . 11185 1 365 . 1 1 36 36 GLY CA C 13 44.976 0.300 . 1 . . . . 36 GLY CA . 11185 1 366 . 1 1 36 36 GLY N N 15 115.910 0.300 . 1 . . . . 36 GLY N . 11185 1 367 . 1 1 37 37 ASP H H 1 8.460 0.030 . 1 . . . . 37 ASP H . 11185 1 368 . 1 1 37 37 ASP HA H 1 4.562 0.030 . 1 . . . . 37 ASP HA . 11185 1 369 . 1 1 37 37 ASP HB2 H 1 2.897 0.030 . 2 . . . . 37 ASP HB2 . 11185 1 370 . 1 1 37 37 ASP HB3 H 1 2.428 0.030 . 2 . . . . 37 ASP HB3 . 11185 1 371 . 1 1 37 37 ASP C C 13 174.893 0.300 . 1 . . . . 37 ASP C . 11185 1 372 . 1 1 37 37 ASP CA C 13 55.943 0.300 . 1 . . . . 37 ASP CA . 11185 1 373 . 1 1 37 37 ASP CB C 13 41.567 0.300 . 1 . . . . 37 ASP CB . 11185 1 374 . 1 1 37 37 ASP N N 15 122.903 0.300 . 1 . . . . 37 ASP N . 11185 1 375 . 1 1 38 38 ILE H H 1 8.149 0.030 . 1 . . . . 38 ILE H . 11185 1 376 . 1 1 38 38 ILE HA H 1 4.835 0.030 . 1 . . . . 38 ILE HA . 11185 1 377 . 1 1 38 38 ILE HB H 1 1.857 0.030 . 1 . . . . 38 ILE HB . 11185 1 378 . 1 1 38 38 ILE HD11 H 1 0.757 0.030 . 1 . . . . 38 ILE HD1 . 11185 1 379 . 1 1 38 38 ILE HD12 H 1 0.757 0.030 . 1 . . . . 38 ILE HD1 . 11185 1 380 . 1 1 38 38 ILE HD13 H 1 0.757 0.030 . 1 . . . . 38 ILE HD1 . 11185 1 381 . 1 1 38 38 ILE HG12 H 1 1.234 0.030 . 2 . . . . 38 ILE HG12 . 11185 1 382 . 1 1 38 38 ILE HG13 H 1 1.576 0.030 . 2 . . . . 38 ILE HG13 . 11185 1 383 . 1 1 38 38 ILE HG21 H 1 0.712 0.030 . 1 . . . . 38 ILE HG2 . 11185 1 384 . 1 1 38 38 ILE HG22 H 1 0.712 0.030 . 1 . . . . 38 ILE HG2 . 11185 1 385 . 1 1 38 38 ILE HG23 H 1 0.712 0.030 . 1 . . . . 38 ILE HG2 . 11185 1 386 . 1 1 38 38 ILE C C 13 175.571 0.300 . 1 . . . . 38 ILE C . 11185 1 387 . 1 1 38 38 ILE CA C 13 59.077 0.300 . 1 . . . . 38 ILE CA . 11185 1 388 . 1 1 38 38 ILE CB C 13 36.829 0.300 . 1 . . . . 38 ILE CB . 11185 1 389 . 1 1 38 38 ILE CD1 C 13 11.456 0.300 . 1 . . . . 38 ILE CD1 . 11185 1 390 . 1 1 38 38 ILE CG1 C 13 26.938 0.300 . 1 . . . . 38 ILE CG1 . 11185 1 391 . 1 1 38 38 ILE CG2 C 13 17.198 0.300 . 1 . . . . 38 ILE CG2 . 11185 1 392 . 1 1 38 38 ILE N N 15 119.959 0.300 . 1 . . . . 38 ILE N . 11185 1 393 . 1 1 39 39 ILE H H 1 9.010 0.030 . 1 . . . . 39 ILE H . 11185 1 394 . 1 1 39 39 ILE HA H 1 4.186 0.030 . 1 . . . . 39 ILE HA . 11185 1 395 . 1 1 39 39 ILE HB H 1 1.156 0.030 . 1 . . . . 39 ILE HB . 11185 1 396 . 1 1 39 39 ILE HD11 H 1 0.083 0.030 . 1 . . . . 39 ILE HD1 . 11185 1 397 . 1 1 39 39 ILE HD12 H 1 0.083 0.030 . 1 . . . . 39 ILE HD1 . 11185 1 398 . 1 1 39 39 ILE HD13 H 1 0.083 0.030 . 1 . . . . 39 ILE HD1 . 11185 1 399 . 1 1 39 39 ILE HG12 H 1 0.737 0.030 . 2 . . . . 39 ILE HG12 . 11185 1 400 . 1 1 39 39 ILE HG13 H 1 1.153 0.030 . 2 . . . . 39 ILE HG13 . 11185 1 401 . 1 1 39 39 ILE HG21 H 1 0.468 0.030 . 1 . . . . 39 ILE HG2 . 11185 1 402 . 1 1 39 39 ILE HG22 H 1 0.468 0.030 . 1 . . . . 39 ILE HG2 . 11185 1 403 . 1 1 39 39 ILE HG23 H 1 0.468 0.030 . 1 . . . . 39 ILE HG2 . 11185 1 404 . 1 1 39 39 ILE C C 13 175.204 0.300 . 1 . . . . 39 ILE C . 11185 1 405 . 1 1 39 39 ILE CA C 13 59.844 0.300 . 1 . . . . 39 ILE CA . 11185 1 406 . 1 1 39 39 ILE CB C 13 41.464 0.300 . 1 . . . . 39 ILE CB . 11185 1 407 . 1 1 39 39 ILE CD1 C 13 13.938 0.300 . 1 . . . . 39 ILE CD1 . 11185 1 408 . 1 1 39 39 ILE CG1 C 13 29.483 0.300 . 1 . . . . 39 ILE CG1 . 11185 1 409 . 1 1 39 39 ILE CG2 C 13 17.877 0.300 . 1 . . . . 39 ILE CG2 . 11185 1 410 . 1 1 39 39 ILE N N 15 131.046 0.300 . 1 . . . . 39 ILE N . 11185 1 411 . 1 1 40 40 THR H H 1 8.271 0.030 . 1 . . . . 40 THR H . 11185 1 412 . 1 1 40 40 THR HA H 1 4.612 0.030 . 1 . . . . 40 THR HA . 11185 1 413 . 1 1 40 40 THR HB H 1 3.915 0.030 . 1 . . . . 40 THR HB . 11185 1 414 . 1 1 40 40 THR HG21 H 1 0.617 0.030 . 1 . . . . 40 THR HG2 . 11185 1 415 . 1 1 40 40 THR HG22 H 1 0.617 0.030 . 1 . . . . 40 THR HG2 . 11185 1 416 . 1 1 40 40 THR HG23 H 1 0.617 0.030 . 1 . . . . 40 THR HG2 . 11185 1 417 . 1 1 40 40 THR C C 13 173.527 0.300 . 1 . . . . 40 THR C . 11185 1 418 . 1 1 40 40 THR CA C 13 62.176 0.300 . 1 . . . . 40 THR CA . 11185 1 419 . 1 1 40 40 THR CB C 13 69.038 0.300 . 1 . . . . 40 THR CB . 11185 1 420 . 1 1 40 40 THR CG2 C 13 21.907 0.300 . 1 . . . . 40 THR CG2 . 11185 1 421 . 1 1 40 40 THR N N 15 124.229 0.300 . 1 . . . . 40 THR N . 11185 1 422 . 1 1 41 41 VAL H H 1 8.726 0.030 . 1 . . . . 41 VAL H . 11185 1 423 . 1 1 41 41 VAL HA H 1 4.972 0.030 . 1 . . . . 41 VAL HA . 11185 1 424 . 1 1 41 41 VAL HB H 1 1.525 0.030 . 1 . . . . 41 VAL HB . 11185 1 425 . 1 1 41 41 VAL HG11 H 1 0.138 0.030 . 1 . . . . 41 VAL HG1 . 11185 1 426 . 1 1 41 41 VAL HG12 H 1 0.138 0.030 . 1 . . . . 41 VAL HG1 . 11185 1 427 . 1 1 41 41 VAL HG13 H 1 0.138 0.030 . 1 . . . . 41 VAL HG1 . 11185 1 428 . 1 1 41 41 VAL HG21 H 1 0.208 0.030 . 1 . . . . 41 VAL HG2 . 11185 1 429 . 1 1 41 41 VAL HG22 H 1 0.208 0.030 . 1 . . . . 41 VAL HG2 . 11185 1 430 . 1 1 41 41 VAL HG23 H 1 0.208 0.030 . 1 . . . . 41 VAL HG2 . 11185 1 431 . 1 1 41 41 VAL C C 13 174.983 0.300 . 1 . . . . 41 VAL C . 11185 1 432 . 1 1 41 41 VAL CA C 13 58.973 0.300 . 1 . . . . 41 VAL CA . 11185 1 433 . 1 1 41 41 VAL CB C 13 33.877 0.300 . 1 . . . . 41 VAL CB . 11185 1 434 . 1 1 41 41 VAL CG1 C 13 18.770 0.300 . 2 . . . . 41 VAL CG1 . 11185 1 435 . 1 1 41 41 VAL CG2 C 13 21.189 0.300 . 2 . . . . 41 VAL CG2 . 11185 1 436 . 1 1 41 41 VAL N N 15 119.684 0.300 . 1 . . . . 41 VAL N . 11185 1 437 . 1 1 42 42 PHE H H 1 8.514 0.030 . 1 . . . . 42 PHE H . 11185 1 438 . 1 1 42 42 PHE HA H 1 4.895 0.030 . 1 . . . . 42 PHE HA . 11185 1 439 . 1 1 42 42 PHE HB2 H 1 2.898 0.030 . 2 . . . . 42 PHE HB2 . 11185 1 440 . 1 1 42 42 PHE HB3 H 1 3.198 0.030 . 2 . . . . 42 PHE HB3 . 11185 1 441 . 1 1 42 42 PHE HD1 H 1 7.140 0.030 . 1 . . . . 42 PHE HD1 . 11185 1 442 . 1 1 42 42 PHE HD2 H 1 7.140 0.030 . 1 . . . . 42 PHE HD2 . 11185 1 443 . 1 1 42 42 PHE HE1 H 1 7.097 0.030 . 1 . . . . 42 PHE HE1 . 11185 1 444 . 1 1 42 42 PHE HE2 H 1 7.097 0.030 . 1 . . . . 42 PHE HE2 . 11185 1 445 . 1 1 42 42 PHE HZ H 1 7.221 0.030 . 1 . . . . 42 PHE HZ . 11185 1 446 . 1 1 42 42 PHE C C 13 176.324 0.300 . 1 . . . . 42 PHE C . 11185 1 447 . 1 1 42 42 PHE CA C 13 56.580 0.300 . 1 . . . . 42 PHE CA . 11185 1 448 . 1 1 42 42 PHE CB C 13 41.760 0.300 . 1 . . . . 42 PHE CB . 11185 1 449 . 1 1 42 42 PHE CD1 C 13 132.019 0.300 . 1 . . . . 42 PHE CD1 . 11185 1 450 . 1 1 42 42 PHE CD2 C 13 132.019 0.300 . 1 . . . . 42 PHE CD2 . 11185 1 451 . 1 1 42 42 PHE CE1 C 13 131.097 0.300 . 1 . . . . 42 PHE CE1 . 11185 1 452 . 1 1 42 42 PHE CE2 C 13 131.097 0.300 . 1 . . . . 42 PHE CE2 . 11185 1 453 . 1 1 42 42 PHE CZ C 13 129.843 0.300 . 1 . . . . 42 PHE CZ . 11185 1 454 . 1 1 42 42 PHE N N 15 120.189 0.300 . 1 . . . . 42 PHE N . 11185 1 455 . 1 1 43 43 GLY H H 1 8.744 0.030 . 1 . . . . 43 GLY H . 11185 1 456 . 1 1 43 43 GLY HA2 H 1 4.002 0.030 . 2 . . . . 43 GLY HA2 . 11185 1 457 . 1 1 43 43 GLY HA3 H 1 4.290 0.030 . 2 . . . . 43 GLY HA3 . 11185 1 458 . 1 1 43 43 GLY C C 13 173.225 0.300 . 1 . . . . 43 GLY C . 11185 1 459 . 1 1 43 43 GLY CA C 13 45.482 0.300 . 1 . . . . 43 GLY CA . 11185 1 460 . 1 1 43 43 GLY N N 15 111.278 0.300 . 1 . . . . 43 GLY N . 11185 1 461 . 1 1 44 44 GLU H H 1 8.432 0.030 . 1 . . . . 44 GLU H . 11185 1 462 . 1 1 44 44 GLU HA H 1 4.734 0.030 . 1 . . . . 44 GLU HA . 11185 1 463 . 1 1 44 44 GLU HB2 H 1 1.853 0.030 . 2 . . . . 44 GLU HB2 . 11185 1 464 . 1 1 44 44 GLU HB3 H 1 2.197 0.030 . 2 . . . . 44 GLU HB3 . 11185 1 465 . 1 1 44 44 GLU HG2 H 1 2.389 0.030 . 2 . . . . 44 GLU HG2 . 11185 1 466 . 1 1 44 44 GLU HG3 H 1 2.325 0.030 . 2 . . . . 44 GLU HG3 . 11185 1 467 . 1 1 44 44 GLU C C 13 176.933 0.300 . 1 . . . . 44 GLU C . 11185 1 468 . 1 1 44 44 GLU CA C 13 54.659 0.300 . 1 . . . . 44 GLU CA . 11185 1 469 . 1 1 44 44 GLU CB C 13 32.157 0.300 . 1 . . . . 44 GLU CB . 11185 1 470 . 1 1 44 44 GLU CG C 13 36.155 0.300 . 1 . . . . 44 GLU CG . 11185 1 471 . 1 1 44 44 GLU N N 15 118.857 0.300 . 1 . . . . 44 GLU N . 11185 1 472 . 1 1 45 45 ILE H H 1 8.339 0.030 . 1 . . . . 45 ILE H . 11185 1 473 . 1 1 45 45 ILE HA H 1 3.569 0.030 . 1 . . . . 45 ILE HA . 11185 1 474 . 1 1 45 45 ILE HB H 1 1.367 0.030 . 1 . . . . 45 ILE HB . 11185 1 475 . 1 1 45 45 ILE HD11 H 1 0.707 0.030 . 1 . . . . 45 ILE HD1 . 11185 1 476 . 1 1 45 45 ILE HD12 H 1 0.707 0.030 . 1 . . . . 45 ILE HD1 . 11185 1 477 . 1 1 45 45 ILE HD13 H 1 0.707 0.030 . 1 . . . . 45 ILE HD1 . 11185 1 478 . 1 1 45 45 ILE HG12 H 1 1.095 0.030 . 2 . . . . 45 ILE HG12 . 11185 1 479 . 1 1 45 45 ILE HG13 H 1 0.139 0.030 . 2 . . . . 45 ILE HG13 . 11185 1 480 . 1 1 45 45 ILE HG21 H 1 0.634 0.030 . 1 . . . . 45 ILE HG2 . 11185 1 481 . 1 1 45 45 ILE HG22 H 1 0.634 0.030 . 1 . . . . 45 ILE HG2 . 11185 1 482 . 1 1 45 45 ILE HG23 H 1 0.634 0.030 . 1 . . . . 45 ILE HG2 . 11185 1 483 . 1 1 45 45 ILE C C 13 176.257 0.300 . 1 . . . . 45 ILE C . 11185 1 484 . 1 1 45 45 ILE CA C 13 62.410 0.300 . 1 . . . . 45 ILE CA . 11185 1 485 . 1 1 45 45 ILE CB C 13 38.744 0.300 . 1 . . . . 45 ILE CB . 11185 1 486 . 1 1 45 45 ILE CD1 C 13 14.008 0.300 . 1 . . . . 45 ILE CD1 . 11185 1 487 . 1 1 45 45 ILE CG1 C 13 28.034 0.300 . 1 . . . . 45 ILE CG1 . 11185 1 488 . 1 1 45 45 ILE CG2 C 13 17.040 0.300 . 1 . . . . 45 ILE CG2 . 11185 1 489 . 1 1 45 45 ILE N N 15 122.654 0.300 . 1 . . . . 45 ILE N . 11185 1 490 . 1 1 46 46 ASP H H 1 8.812 0.030 . 1 . . . . 46 ASP H . 11185 1 491 . 1 1 46 46 ASP HA H 1 4.663 0.030 . 1 . . . . 46 ASP HA . 11185 1 492 . 1 1 46 46 ASP HB2 H 1 2.888 0.030 . 2 . . . . 46 ASP HB2 . 11185 1 493 . 1 1 46 46 ASP HB3 H 1 3.330 0.030 . 2 . . . . 46 ASP HB3 . 11185 1 494 . 1 1 46 46 ASP C C 13 178.607 0.300 . 1 . . . . 46 ASP C . 11185 1 495 . 1 1 46 46 ASP CA C 13 52.962 0.300 . 1 . . . . 46 ASP CA . 11185 1 496 . 1 1 46 46 ASP CB C 13 41.293 0.300 . 1 . . . . 46 ASP CB . 11185 1 497 . 1 1 46 46 ASP N N 15 127.118 0.300 . 1 . . . . 46 ASP N . 11185 1 498 . 1 1 47 47 GLU H H 1 8.696 0.030 . 1 . . . . 47 GLU H . 11185 1 499 . 1 1 47 47 GLU HA H 1 4.053 0.030 . 1 . . . . 47 GLU HA . 11185 1 500 . 1 1 47 47 GLU HB2 H 1 2.035 0.030 . 2 . . . . 47 GLU HB2 . 11185 1 501 . 1 1 47 47 GLU HB3 H 1 2.074 0.030 . 2 . . . . 47 GLU HB3 . 11185 1 502 . 1 1 47 47 GLU HG2 H 1 2.324 0.030 . 1 . . . . 47 GLU HG2 . 11185 1 503 . 1 1 47 47 GLU HG3 H 1 2.324 0.030 . 1 . . . . 47 GLU HG3 . 11185 1 504 . 1 1 47 47 GLU C C 13 176.859 0.300 . 1 . . . . 47 GLU C . 11185 1 505 . 1 1 47 47 GLU CA C 13 58.795 0.300 . 1 . . . . 47 GLU CA . 11185 1 506 . 1 1 47 47 GLU CB C 13 29.497 0.300 . 1 . . . . 47 GLU CB . 11185 1 507 . 1 1 47 47 GLU CG C 13 36.354 0.300 . 1 . . . . 47 GLU CG . 11185 1 508 . 1 1 47 47 GLU N N 15 116.619 0.300 . 1 . . . . 47 GLU N . 11185 1 509 . 1 1 48 48 ASP H H 1 8.367 0.030 . 1 . . . . 48 ASP H . 11185 1 510 . 1 1 48 48 ASP HA H 1 4.886 0.030 . 1 . . . . 48 ASP HA . 11185 1 511 . 1 1 48 48 ASP HB2 H 1 2.849 0.030 . 2 . . . . 48 ASP HB2 . 11185 1 512 . 1 1 48 48 ASP HB3 H 1 3.054 0.030 . 2 . . . . 48 ASP HB3 . 11185 1 513 . 1 1 48 48 ASP C C 13 175.889 0.300 . 1 . . . . 48 ASP C . 11185 1 514 . 1 1 48 48 ASP CA C 13 54.181 0.300 . 1 . . . . 48 ASP CA . 11185 1 515 . 1 1 48 48 ASP CB C 13 42.529 0.300 . 1 . . . . 48 ASP CB . 11185 1 516 . 1 1 48 48 ASP N N 15 118.255 0.300 . 1 . . . . 48 ASP N . 11185 1 517 . 1 1 49 49 GLY H H 1 8.051 0.030 . 1 . . . . 49 GLY H . 11185 1 518 . 1 1 49 49 GLY HA2 H 1 4.088 0.030 . 2 . . . . 49 GLY HA2 . 11185 1 519 . 1 1 49 49 GLY HA3 H 1 3.439 0.030 . 2 . . . . 49 GLY HA3 . 11185 1 520 . 1 1 49 49 GLY C C 13 174.405 0.300 . 1 . . . . 49 GLY C . 11185 1 521 . 1 1 49 49 GLY CA C 13 45.634 0.300 . 1 . . . . 49 GLY CA . 11185 1 522 . 1 1 49 49 GLY N N 15 107.493 0.300 . 1 . . . . 49 GLY N . 11185 1 523 . 1 1 50 50 PHE H H 1 9.087 0.030 . 1 . . . . 50 PHE H . 11185 1 524 . 1 1 50 50 PHE HA H 1 5.024 0.030 . 1 . . . . 50 PHE HA . 11185 1 525 . 1 1 50 50 PHE HB2 H 1 3.528 0.030 . 2 . . . . 50 PHE HB2 . 11185 1 526 . 1 1 50 50 PHE HB3 H 1 2.818 0.030 . 2 . . . . 50 PHE HB3 . 11185 1 527 . 1 1 50 50 PHE HD1 H 1 7.040 0.030 . 1 . . . . 50 PHE HD1 . 11185 1 528 . 1 1 50 50 PHE HD2 H 1 7.040 0.030 . 1 . . . . 50 PHE HD2 . 11185 1 529 . 1 1 50 50 PHE HE1 H 1 7.235 0.030 . 1 . . . . 50 PHE HE1 . 11185 1 530 . 1 1 50 50 PHE HE2 H 1 7.235 0.030 . 1 . . . . 50 PHE HE2 . 11185 1 531 . 1 1 50 50 PHE HZ H 1 7.229 0.030 . 1 . . . . 50 PHE HZ . 11185 1 532 . 1 1 50 50 PHE C C 13 176.840 0.300 . 1 . . . . 50 PHE C . 11185 1 533 . 1 1 50 50 PHE CA C 13 58.020 0.300 . 1 . . . . 50 PHE CA . 11185 1 534 . 1 1 50 50 PHE CB C 13 41.024 0.300 . 1 . . . . 50 PHE CB . 11185 1 535 . 1 1 50 50 PHE CD1 C 13 132.068 0.300 . 1 . . . . 50 PHE CD1 . 11185 1 536 . 1 1 50 50 PHE CD2 C 13 132.068 0.300 . 1 . . . . 50 PHE CD2 . 11185 1 537 . 1 1 50 50 PHE CE1 C 13 130.765 0.300 . 1 . . . . 50 PHE CE1 . 11185 1 538 . 1 1 50 50 PHE CE2 C 13 130.765 0.300 . 1 . . . . 50 PHE CE2 . 11185 1 539 . 1 1 50 50 PHE CZ C 13 130.771 0.300 . 1 . . . . 50 PHE CZ . 11185 1 540 . 1 1 50 50 PHE N N 15 123.148 0.300 . 1 . . . . 50 PHE N . 11185 1 541 . 1 1 51 51 TYR H H 1 9.162 0.030 . 1 . . . . 51 TYR H . 11185 1 542 . 1 1 51 51 TYR HA H 1 4.984 0.030 . 1 . . . . 51 TYR HA . 11185 1 543 . 1 1 51 51 TYR HB2 H 1 3.014 0.030 . 2 . . . . 51 TYR HB2 . 11185 1 544 . 1 1 51 51 TYR HB3 H 1 2.369 0.030 . 2 . . . . 51 TYR HB3 . 11185 1 545 . 1 1 51 51 TYR HD1 H 1 6.816 0.030 . 1 . . . . 51 TYR HD1 . 11185 1 546 . 1 1 51 51 TYR HD2 H 1 6.816 0.030 . 1 . . . . 51 TYR HD2 . 11185 1 547 . 1 1 51 51 TYR HE1 H 1 6.699 0.030 . 1 . . . . 51 TYR HE1 . 11185 1 548 . 1 1 51 51 TYR HE2 H 1 6.699 0.030 . 1 . . . . 51 TYR HE2 . 11185 1 549 . 1 1 51 51 TYR C C 13 175.894 0.300 . 1 . . . . 51 TYR C . 11185 1 550 . 1 1 51 51 TYR CA C 13 57.358 0.300 . 1 . . . . 51 TYR CA . 11185 1 551 . 1 1 51 51 TYR CB C 13 42.514 0.300 . 1 . . . . 51 TYR CB . 11185 1 552 . 1 1 51 51 TYR CD1 C 13 132.619 0.300 . 1 . . . . 51 TYR CD1 . 11185 1 553 . 1 1 51 51 TYR CD2 C 13 132.619 0.300 . 1 . . . . 51 TYR CD2 . 11185 1 554 . 1 1 51 51 TYR CE1 C 13 118.122 0.300 . 1 . . . . 51 TYR CE1 . 11185 1 555 . 1 1 51 51 TYR CE2 C 13 118.122 0.300 . 1 . . . . 51 TYR CE2 . 11185 1 556 . 1 1 51 51 TYR N N 15 117.640 0.300 . 1 . . . . 51 TYR N . 11185 1 557 . 1 1 52 52 TYR H H 1 9.062 0.030 . 1 . . . . 52 TYR H . 11185 1 558 . 1 1 52 52 TYR HA H 1 4.909 0.030 . 1 . . . . 52 TYR HA . 11185 1 559 . 1 1 52 52 TYR HB2 H 1 3.172 0.030 . 2 . . . . 52 TYR HB2 . 11185 1 560 . 1 1 52 52 TYR HB3 H 1 3.085 0.030 . 2 . . . . 52 TYR HB3 . 11185 1 561 . 1 1 52 52 TYR HD1 H 1 7.111 0.030 . 1 . . . . 52 TYR HD1 . 11185 1 562 . 1 1 52 52 TYR HD2 H 1 7.111 0.030 . 1 . . . . 52 TYR HD2 . 11185 1 563 . 1 1 52 52 TYR HE1 H 1 6.690 0.030 . 1 . . . . 52 TYR HE1 . 11185 1 564 . 1 1 52 52 TYR HE2 H 1 6.690 0.030 . 1 . . . . 52 TYR HE2 . 11185 1 565 . 1 1 52 52 TYR C C 13 174.732 0.300 . 1 . . . . 52 TYR C . 11185 1 566 . 1 1 52 52 TYR CA C 13 58.418 0.300 . 1 . . . . 52 TYR CA . 11185 1 567 . 1 1 52 52 TYR CB C 13 39.268 0.300 . 1 . . . . 52 TYR CB . 11185 1 568 . 1 1 52 52 TYR CD1 C 13 132.859 0.300 . 1 . . . . 52 TYR CD1 . 11185 1 569 . 1 1 52 52 TYR CD2 C 13 132.859 0.300 . 1 . . . . 52 TYR CD2 . 11185 1 570 . 1 1 52 52 TYR CE1 C 13 117.866 0.300 . 1 . . . . 52 TYR CE1 . 11185 1 571 . 1 1 52 52 TYR CE2 C 13 117.866 0.300 . 1 . . . . 52 TYR CE2 . 11185 1 572 . 1 1 52 52 TYR N N 15 122.276 0.300 . 1 . . . . 52 TYR N . 11185 1 573 . 1 1 53 53 GLY H H 1 8.896 0.030 . 1 . . . . 53 GLY H . 11185 1 574 . 1 1 53 53 GLY HA2 H 1 5.192 0.030 . 2 . . . . 53 GLY HA2 . 11185 1 575 . 1 1 53 53 GLY HA3 H 1 3.216 0.030 . 2 . . . . 53 GLY HA3 . 11185 1 576 . 1 1 53 53 GLY C C 13 170.689 0.300 . 1 . . . . 53 GLY C . 11185 1 577 . 1 1 53 53 GLY CA C 13 45.276 0.300 . 1 . . . . 53 GLY CA . 11185 1 578 . 1 1 53 53 GLY N N 15 113.834 0.300 . 1 . . . . 53 GLY N . 11185 1 579 . 1 1 54 54 GLU H H 1 8.762 0.030 . 1 . . . . 54 GLU H . 11185 1 580 . 1 1 54 54 GLU HA H 1 5.337 0.030 . 1 . . . . 54 GLU HA . 11185 1 581 . 1 1 54 54 GLU HB2 H 1 1.856 0.030 . 2 . . . . 54 GLU HB2 . 11185 1 582 . 1 1 54 54 GLU HB3 H 1 2.029 0.030 . 2 . . . . 54 GLU HB3 . 11185 1 583 . 1 1 54 54 GLU HG2 H 1 2.104 0.030 . 1 . . . . 54 GLU HG2 . 11185 1 584 . 1 1 54 54 GLU HG3 H 1 2.104 0.030 . 1 . . . . 54 GLU HG3 . 11185 1 585 . 1 1 54 54 GLU C C 13 174.705 0.300 . 1 . . . . 54 GLU C . 11185 1 586 . 1 1 54 54 GLU CA C 13 54.483 0.300 . 1 . . . . 54 GLU CA . 11185 1 587 . 1 1 54 54 GLU CB C 13 34.300 0.300 . 1 . . . . 54 GLU CB . 11185 1 588 . 1 1 54 54 GLU CG C 13 36.498 0.300 . 1 . . . . 54 GLU CG . 11185 1 589 . 1 1 54 54 GLU N N 15 116.997 0.300 . 1 . . . . 54 GLU N . 11185 1 590 . 1 1 55 55 LEU H H 1 8.709 0.030 . 1 . . . . 55 LEU H . 11185 1 591 . 1 1 55 55 LEU HA H 1 4.636 0.030 . 1 . . . . 55 LEU HA . 11185 1 592 . 1 1 55 55 LEU HB2 H 1 1.793 0.030 . 2 . . . . 55 LEU HB2 . 11185 1 593 . 1 1 55 55 LEU HB3 H 1 1.371 0.030 . 2 . . . . 55 LEU HB3 . 11185 1 594 . 1 1 55 55 LEU HD11 H 1 0.941 0.030 . 1 . . . . 55 LEU HD1 . 11185 1 595 . 1 1 55 55 LEU HD12 H 1 0.941 0.030 . 1 . . . . 55 LEU HD1 . 11185 1 596 . 1 1 55 55 LEU HD13 H 1 0.941 0.030 . 1 . . . . 55 LEU HD1 . 11185 1 597 . 1 1 55 55 LEU HD21 H 1 1.051 0.030 . 1 . . . . 55 LEU HD2 . 11185 1 598 . 1 1 55 55 LEU HD22 H 1 1.051 0.030 . 1 . . . . 55 LEU HD2 . 11185 1 599 . 1 1 55 55 LEU HD23 H 1 1.051 0.030 . 1 . . . . 55 LEU HD2 . 11185 1 600 . 1 1 55 55 LEU HG H 1 1.499 0.030 . 1 . . . . 55 LEU HG . 11185 1 601 . 1 1 55 55 LEU C C 13 175.942 0.300 . 1 . . . . 55 LEU C . 11185 1 602 . 1 1 55 55 LEU CA C 13 54.601 0.300 . 1 . . . . 55 LEU CA . 11185 1 603 . 1 1 55 55 LEU CB C 13 45.876 0.300 . 1 . . . . 55 LEU CB . 11185 1 604 . 1 1 55 55 LEU CD1 C 13 23.314 0.300 . 2 . . . . 55 LEU CD1 . 11185 1 605 . 1 1 55 55 LEU CD2 C 13 26.933 0.300 . 2 . . . . 55 LEU CD2 . 11185 1 606 . 1 1 55 55 LEU CG C 13 27.809 0.300 . 1 . . . . 55 LEU CG . 11185 1 607 . 1 1 55 55 LEU N N 15 125.146 0.300 . 1 . . . . 55 LEU N . 11185 1 608 . 1 1 56 56 ASN H H 1 9.807 0.030 . 1 . . . . 56 ASN H . 11185 1 609 . 1 1 56 56 ASN HA H 1 4.457 0.030 . 1 . . . . 56 ASN HA . 11185 1 610 . 1 1 56 56 ASN HB2 H 1 2.846 0.030 . 2 . . . . 56 ASN HB2 . 11185 1 611 . 1 1 56 56 ASN HB3 H 1 3.099 0.030 . 2 . . . . 56 ASN HB3 . 11185 1 612 . 1 1 56 56 ASN HD21 H 1 7.140 0.030 . 2 . . . . 56 ASN HD21 . 11185 1 613 . 1 1 56 56 ASN HD22 H 1 7.847 0.030 . 2 . . . . 56 ASN HD22 . 11185 1 614 . 1 1 56 56 ASN C C 13 175.218 0.300 . 1 . . . . 56 ASN C . 11185 1 615 . 1 1 56 56 ASN CA C 13 54.443 0.300 . 1 . . . . 56 ASN CA . 11185 1 616 . 1 1 56 56 ASN CB C 13 37.495 0.300 . 1 . . . . 56 ASN CB . 11185 1 617 . 1 1 56 56 ASN N N 15 127.874 0.300 . 1 . . . . 56 ASN N . 11185 1 618 . 1 1 56 56 ASN ND2 N 15 114.190 0.300 . 1 . . . . 56 ASN ND2 . 11185 1 619 . 1 1 57 57 GLY H H 1 8.982 0.030 . 1 . . . . 57 GLY H . 11185 1 620 . 1 1 57 57 GLY HA2 H 1 4.227 0.030 . 2 . . . . 57 GLY HA2 . 11185 1 621 . 1 1 57 57 GLY HA3 H 1 3.675 0.030 . 2 . . . . 57 GLY HA3 . 11185 1 622 . 1 1 57 57 GLY C C 13 173.899 0.300 . 1 . . . . 57 GLY C . 11185 1 623 . 1 1 57 57 GLY CA C 13 45.574 0.300 . 1 . . . . 57 GLY CA . 11185 1 624 . 1 1 57 57 GLY N N 15 105.005 0.300 . 1 . . . . 57 GLY N . 11185 1 625 . 1 1 58 58 GLN H H 1 8.009 0.030 . 1 . . . . 58 GLN H . 11185 1 626 . 1 1 58 58 GLN HA H 1 4.613 0.030 . 1 . . . . 58 GLN HA . 11185 1 627 . 1 1 58 58 GLN HB2 H 1 2.170 0.030 . 2 . . . . 58 GLN HB2 . 11185 1 628 . 1 1 58 58 GLN HB3 H 1 2.114 0.030 . 2 . . . . 58 GLN HB3 . 11185 1 629 . 1 1 58 58 GLN HE21 H 1 7.001 0.030 . 2 . . . . 58 GLN HE21 . 11185 1 630 . 1 1 58 58 GLN HE22 H 1 7.594 0.030 . 2 . . . . 58 GLN HE22 . 11185 1 631 . 1 1 58 58 GLN HG2 H 1 2.343 0.030 . 2 . . . . 58 GLN HG2 . 11185 1 632 . 1 1 58 58 GLN HG3 H 1 2.449 0.030 . 2 . . . . 58 GLN HG3 . 11185 1 633 . 1 1 58 58 GLN C C 13 174.470 0.300 . 1 . . . . 58 GLN C . 11185 1 634 . 1 1 58 58 GLN CA C 13 54.424 0.300 . 1 . . . . 58 GLN CA . 11185 1 635 . 1 1 58 58 GLN CB C 13 30.897 0.300 . 1 . . . . 58 GLN CB . 11185 1 636 . 1 1 58 58 GLN CG C 13 34.099 0.300 . 1 . . . . 58 GLN CG . 11185 1 637 . 1 1 58 58 GLN N N 15 121.094 0.300 . 1 . . . . 58 GLN N . 11185 1 638 . 1 1 58 58 GLN NE2 N 15 112.287 0.300 . 1 . . . . 58 GLN NE2 . 11185 1 639 . 1 1 59 59 LYS H H 1 8.479 0.030 . 1 . . . . 59 LYS H . 11185 1 640 . 1 1 59 59 LYS HA H 1 5.511 0.030 . 1 . . . . 59 LYS HA . 11185 1 641 . 1 1 59 59 LYS HB2 H 1 1.711 0.030 . 2 . . . . 59 LYS HB2 . 11185 1 642 . 1 1 59 59 LYS HB3 H 1 1.764 0.030 . 2 . . . . 59 LYS HB3 . 11185 1 643 . 1 1 59 59 LYS HD2 H 1 1.637 0.030 . 1 . . . . 59 LYS HD2 . 11185 1 644 . 1 1 59 59 LYS HD3 H 1 1.637 0.030 . 1 . . . . 59 LYS HD3 . 11185 1 645 . 1 1 59 59 LYS HE2 H 1 2.859 0.030 . 1 . . . . 59 LYS HE2 . 11185 1 646 . 1 1 59 59 LYS HE3 H 1 2.859 0.030 . 1 . . . . 59 LYS HE3 . 11185 1 647 . 1 1 59 59 LYS HG2 H 1 1.268 0.030 . 2 . . . . 59 LYS HG2 . 11185 1 648 . 1 1 59 59 LYS HG3 H 1 1.391 0.030 . 2 . . . . 59 LYS HG3 . 11185 1 649 . 1 1 59 59 LYS C C 13 176.841 0.300 . 1 . . . . 59 LYS C . 11185 1 650 . 1 1 59 59 LYS CA C 13 54.577 0.300 . 1 . . . . 59 LYS CA . 11185 1 651 . 1 1 59 59 LYS CB C 13 35.170 0.300 . 1 . . . . 59 LYS CB . 11185 1 652 . 1 1 59 59 LYS CD C 13 29.408 0.300 . 1 . . . . 59 LYS CD . 11185 1 653 . 1 1 59 59 LYS CE C 13 42.283 0.300 . 1 . . . . 59 LYS CE . 11185 1 654 . 1 1 59 59 LYS CG C 13 25.444 0.300 . 1 . . . . 59 LYS CG . 11185 1 655 . 1 1 59 59 LYS N N 15 121.364 0.300 . 1 . . . . 59 LYS N . 11185 1 656 . 1 1 60 60 GLY H H 1 8.660 0.030 . 1 . . . . 60 GLY H . 11185 1 657 . 1 1 60 60 GLY HA2 H 1 3.996 0.030 . 2 . . . . 60 GLY HA2 . 11185 1 658 . 1 1 60 60 GLY HA3 H 1 4.172 0.030 . 2 . . . . 60 GLY HA3 . 11185 1 659 . 1 1 60 60 GLY C C 13 170.654 0.300 . 1 . . . . 60 GLY C . 11185 1 660 . 1 1 60 60 GLY CA C 13 45.457 0.300 . 1 . . . . 60 GLY CA . 11185 1 661 . 1 1 60 60 GLY N N 15 109.282 0.300 . 1 . . . . 60 GLY N . 11185 1 662 . 1 1 61 61 LEU H H 1 8.744 0.030 . 1 . . . . 61 LEU H . 11185 1 663 . 1 1 61 61 LEU HA H 1 5.376 0.030 . 1 . . . . 61 LEU HA . 11185 1 664 . 1 1 61 61 LEU HB2 H 1 1.188 0.030 . 2 . . . . 61 LEU HB2 . 11185 1 665 . 1 1 61 61 LEU HB3 H 1 1.424 0.030 . 2 . . . . 61 LEU HB3 . 11185 1 666 . 1 1 61 61 LEU HD11 H 1 0.786 0.030 . 1 . . . . 61 LEU HD1 . 11185 1 667 . 1 1 61 61 LEU HD12 H 1 0.786 0.030 . 1 . . . . 61 LEU HD1 . 11185 1 668 . 1 1 61 61 LEU HD13 H 1 0.786 0.030 . 1 . . . . 61 LEU HD1 . 11185 1 669 . 1 1 61 61 LEU HD21 H 1 0.516 0.030 . 1 . . . . 61 LEU HD2 . 11185 1 670 . 1 1 61 61 LEU HD22 H 1 0.516 0.030 . 1 . . . . 61 LEU HD2 . 11185 1 671 . 1 1 61 61 LEU HD23 H 1 0.516 0.030 . 1 . . . . 61 LEU HD2 . 11185 1 672 . 1 1 61 61 LEU HG H 1 1.666 0.030 . 1 . . . . 61 LEU HG . 11185 1 673 . 1 1 61 61 LEU C C 13 178.296 0.300 . 1 . . . . 61 LEU C . 11185 1 674 . 1 1 61 61 LEU CA C 13 54.715 0.300 . 1 . . . . 61 LEU CA . 11185 1 675 . 1 1 61 61 LEU CB C 13 43.525 0.300 . 1 . . . . 61 LEU CB . 11185 1 676 . 1 1 61 61 LEU CD1 C 13 22.407 0.300 . 2 . . . . 61 LEU CD1 . 11185 1 677 . 1 1 61 61 LEU CD2 C 13 25.265 0.300 . 2 . . . . 61 LEU CD2 . 11185 1 678 . 1 1 61 61 LEU CG C 13 27.081 0.300 . 1 . . . . 61 LEU CG . 11185 1 679 . 1 1 61 61 LEU N N 15 119.528 0.300 . 1 . . . . 61 LEU N . 11185 1 680 . 1 1 62 62 VAL H H 1 9.530 0.030 . 1 . . . . 62 VAL H . 11185 1 681 . 1 1 62 62 VAL HA H 1 5.123 0.030 . 1 . . . . 62 VAL HA . 11185 1 682 . 1 1 62 62 VAL HB H 1 1.916 0.030 . 1 . . . . 62 VAL HB . 11185 1 683 . 1 1 62 62 VAL HG11 H 1 0.824 0.030 . 1 . . . . 62 VAL HG1 . 11185 1 684 . 1 1 62 62 VAL HG12 H 1 0.824 0.030 . 1 . . . . 62 VAL HG1 . 11185 1 685 . 1 1 62 62 VAL HG13 H 1 0.824 0.030 . 1 . . . . 62 VAL HG1 . 11185 1 686 . 1 1 62 62 VAL HG21 H 1 0.914 0.030 . 1 . . . . 62 VAL HG2 . 11185 1 687 . 1 1 62 62 VAL HG22 H 1 0.914 0.030 . 1 . . . . 62 VAL HG2 . 11185 1 688 . 1 1 62 62 VAL HG23 H 1 0.914 0.030 . 1 . . . . 62 VAL HG2 . 11185 1 689 . 1 1 62 62 VAL C C 13 173.338 0.300 . 1 . . . . 62 VAL C . 11185 1 690 . 1 1 62 62 VAL CA C 13 57.497 0.300 . 1 . . . . 62 VAL CA . 11185 1 691 . 1 1 62 62 VAL CB C 13 35.320 0.300 . 1 . . . . 62 VAL CB . 11185 1 692 . 1 1 62 62 VAL CG1 C 13 21.081 0.300 . 2 . . . . 62 VAL CG1 . 11185 1 693 . 1 1 62 62 VAL CG2 C 13 23.349 0.300 . 2 . . . . 62 VAL CG2 . 11185 1 694 . 1 1 62 62 VAL N N 15 115.957 0.300 . 1 . . . . 62 VAL N . 11185 1 695 . 1 1 63 63 PRO HA H 1 3.873 0.030 . 1 . . . . 63 PRO HA . 11185 1 696 . 1 1 63 63 PRO HB2 H 1 1.600 0.030 . 2 . . . . 63 PRO HB2 . 11185 1 697 . 1 1 63 63 PRO HB3 H 1 1.775 0.030 . 2 . . . . 63 PRO HB3 . 11185 1 698 . 1 1 63 63 PRO HD2 H 1 3.365 0.030 . 2 . . . . 63 PRO HD2 . 11185 1 699 . 1 1 63 63 PRO HD3 H 1 3.571 0.030 . 2 . . . . 63 PRO HD3 . 11185 1 700 . 1 1 63 63 PRO HG2 H 1 1.261 0.030 . 2 . . . . 63 PRO HG2 . 11185 1 701 . 1 1 63 63 PRO HG3 H 1 0.818 0.030 . 2 . . . . 63 PRO HG3 . 11185 1 702 . 1 1 63 63 PRO C C 13 178.468 0.300 . 1 . . . . 63 PRO C . 11185 1 703 . 1 1 63 63 PRO CA C 13 62.857 0.300 . 1 . . . . 63 PRO CA . 11185 1 704 . 1 1 63 63 PRO CB C 13 31.243 0.300 . 1 . . . . 63 PRO CB . 11185 1 705 . 1 1 63 63 PRO CD C 13 51.356 0.300 . 1 . . . . 63 PRO CD . 11185 1 706 . 1 1 63 63 PRO CG C 13 27.144 0.300 . 1 . . . . 63 PRO CG . 11185 1 707 . 1 1 64 64 SER H H 1 8.536 0.030 . 1 . . . . 64 SER H . 11185 1 708 . 1 1 64 64 SER HA H 1 3.952 0.030 . 1 . . . . 64 SER HA . 11185 1 709 . 1 1 64 64 SER HB2 H 1 3.698 0.030 . 2 . . . . 64 SER HB2 . 11185 1 710 . 1 1 64 64 SER HB3 H 1 3.474 0.030 . 2 . . . . 64 SER HB3 . 11185 1 711 . 1 1 64 64 SER C C 13 176.411 0.300 . 1 . . . . 64 SER C . 11185 1 712 . 1 1 64 64 SER CA C 13 61.958 0.300 . 1 . . . . 64 SER CA . 11185 1 713 . 1 1 64 64 SER CB C 13 63.436 0.300 . 1 . . . . 64 SER CB . 11185 1 714 . 1 1 64 64 SER N N 15 120.209 0.300 . 1 . . . . 64 SER N . 11185 1 715 . 1 1 65 65 ASN H H 1 8.682 0.030 . 1 . . . . 65 ASN H . 11185 1 716 . 1 1 65 65 ASN HA H 1 4.767 0.030 . 1 . . . . 65 ASN HA . 11185 1 717 . 1 1 65 65 ASN HB2 H 1 2.791 0.030 . 2 . . . . 65 ASN HB2 . 11185 1 718 . 1 1 65 65 ASN HB3 H 1 2.955 0.030 . 2 . . . . 65 ASN HB3 . 11185 1 719 . 1 1 65 65 ASN HD21 H 1 7.523 0.030 . 2 . . . . 65 ASN HD21 . 11185 1 720 . 1 1 65 65 ASN HD22 H 1 6.695 0.030 . 2 . . . . 65 ASN HD22 . 11185 1 721 . 1 1 65 65 ASN C C 13 175.277 0.300 . 1 . . . . 65 ASN C . 11185 1 722 . 1 1 65 65 ASN CA C 13 54.474 0.300 . 1 . . . . 65 ASN CA . 11185 1 723 . 1 1 65 65 ASN CB C 13 36.690 0.300 . 1 . . . . 65 ASN CB . 11185 1 724 . 1 1 65 65 ASN N N 15 116.937 0.300 . 1 . . . . 65 ASN N . 11185 1 725 . 1 1 65 65 ASN ND2 N 15 112.155 0.300 . 1 . . . . 65 ASN ND2 . 11185 1 726 . 1 1 66 66 PHE H H 1 7.778 0.030 . 1 . . . . 66 PHE H . 11185 1 727 . 1 1 66 66 PHE HA H 1 4.774 0.030 . 1 . . . . 66 PHE HA . 11185 1 728 . 1 1 66 66 PHE HB2 H 1 3.699 0.030 . 2 . . . . 66 PHE HB2 . 11185 1 729 . 1 1 66 66 PHE HB3 H 1 3.318 0.030 . 2 . . . . 66 PHE HB3 . 11185 1 730 . 1 1 66 66 PHE HD1 H 1 7.264 0.030 . 1 . . . . 66 PHE HD1 . 11185 1 731 . 1 1 66 66 PHE HD2 H 1 7.264 0.030 . 1 . . . . 66 PHE HD2 . 11185 1 732 . 1 1 66 66 PHE HE1 H 1 7.430 0.030 . 1 . . . . 66 PHE HE1 . 11185 1 733 . 1 1 66 66 PHE HE2 H 1 7.430 0.030 . 1 . . . . 66 PHE HE2 . 11185 1 734 . 1 1 66 66 PHE HZ H 1 7.380 0.030 . 1 . . . . 66 PHE HZ . 11185 1 735 . 1 1 66 66 PHE C C 13 173.847 0.300 . 1 . . . . 66 PHE C . 11185 1 736 . 1 1 66 66 PHE CA C 13 58.039 0.300 . 1 . . . . 66 PHE CA . 11185 1 737 . 1 1 66 66 PHE CB C 13 39.641 0.300 . 1 . . . . 66 PHE CB . 11185 1 738 . 1 1 66 66 PHE CD1 C 13 130.616 0.300 . 1 . . . . 66 PHE CD1 . 11185 1 739 . 1 1 66 66 PHE CD2 C 13 130.616 0.300 . 1 . . . . 66 PHE CD2 . 11185 1 740 . 1 1 66 66 PHE CE1 C 13 132.025 0.300 . 1 . . . . 66 PHE CE1 . 11185 1 741 . 1 1 66 66 PHE CE2 C 13 132.025 0.300 . 1 . . . . 66 PHE CE2 . 11185 1 742 . 1 1 66 66 PHE CZ C 13 130.290 0.300 . 1 . . . . 66 PHE CZ . 11185 1 743 . 1 1 66 66 PHE N N 15 118.963 0.300 . 1 . . . . 66 PHE N . 11185 1 744 . 1 1 67 67 LEU H H 1 7.497 0.030 . 1 . . . . 67 LEU H . 11185 1 745 . 1 1 67 67 LEU HA H 1 5.382 0.030 . 1 . . . . 67 LEU HA . 11185 1 746 . 1 1 67 67 LEU HB2 H 1 1.743 0.030 . 2 . . . . 67 LEU HB2 . 11185 1 747 . 1 1 67 67 LEU HB3 H 1 1.242 0.030 . 2 . . . . 67 LEU HB3 . 11185 1 748 . 1 1 67 67 LEU HD11 H 1 0.326 0.030 . 1 . . . . 67 LEU HD1 . 11185 1 749 . 1 1 67 67 LEU HD12 H 1 0.326 0.030 . 1 . . . . 67 LEU HD1 . 11185 1 750 . 1 1 67 67 LEU HD13 H 1 0.326 0.030 . 1 . . . . 67 LEU HD1 . 11185 1 751 . 1 1 67 67 LEU HD21 H 1 0.551 0.030 . 1 . . . . 67 LEU HD2 . 11185 1 752 . 1 1 67 67 LEU HD22 H 1 0.551 0.030 . 1 . . . . 67 LEU HD2 . 11185 1 753 . 1 1 67 67 LEU HD23 H 1 0.551 0.030 . 1 . . . . 67 LEU HD2 . 11185 1 754 . 1 1 67 67 LEU HG H 1 1.621 0.030 . 1 . . . . 67 LEU HG . 11185 1 755 . 1 1 67 67 LEU C C 13 176.024 0.300 . 1 . . . . 67 LEU C . 11185 1 756 . 1 1 67 67 LEU CA C 13 53.658 0.300 . 1 . . . . 67 LEU CA . 11185 1 757 . 1 1 67 67 LEU CB C 13 47.121 0.300 . 1 . . . . 67 LEU CB . 11185 1 758 . 1 1 67 67 LEU CD1 C 13 22.769 0.300 . 2 . . . . 67 LEU CD1 . 11185 1 759 . 1 1 67 67 LEU CD2 C 13 26.630 0.300 . 2 . . . . 67 LEU CD2 . 11185 1 760 . 1 1 67 67 LEU CG C 13 26.285 0.300 . 1 . . . . 67 LEU CG . 11185 1 761 . 1 1 67 67 LEU N N 15 118.505 0.300 . 1 . . . . 67 LEU N . 11185 1 762 . 1 1 68 68 GLU H H 1 8.651 0.030 . 1 . . . . 68 GLU H . 11185 1 763 . 1 1 68 68 GLU HA H 1 4.654 0.030 . 1 . . . . 68 GLU HA . 11185 1 764 . 1 1 68 68 GLU HB2 H 1 1.922 0.030 . 2 . . . . 68 GLU HB2 . 11185 1 765 . 1 1 68 68 GLU HB3 H 1 1.879 0.030 . 2 . . . . 68 GLU HB3 . 11185 1 766 . 1 1 68 68 GLU HG2 H 1 2.220 0.030 . 1 . . . . 68 GLU HG2 . 11185 1 767 . 1 1 68 68 GLU HG3 H 1 2.220 0.030 . 1 . . . . 68 GLU HG3 . 11185 1 768 . 1 1 68 68 GLU C C 13 174.526 0.300 . 1 . . . . 68 GLU C . 11185 1 769 . 1 1 68 68 GLU CA C 13 54.558 0.300 . 1 . . . . 68 GLU CA . 11185 1 770 . 1 1 68 68 GLU CB C 13 34.066 0.300 . 1 . . . . 68 GLU CB . 11185 1 771 . 1 1 68 68 GLU CG C 13 36.190 0.300 . 1 . . . . 68 GLU CG . 11185 1 772 . 1 1 68 68 GLU N N 15 119.312 0.300 . 1 . . . . 68 GLU N . 11185 1 773 . 1 1 69 69 GLU H H 1 8.856 0.030 . 1 . . . . 69 GLU H . 11185 1 774 . 1 1 69 69 GLU HA H 1 4.600 0.030 . 1 . . . . 69 GLU HA . 11185 1 775 . 1 1 69 69 GLU HB2 H 1 1.856 0.030 . 2 . . . . 69 GLU HB2 . 11185 1 776 . 1 1 69 69 GLU HB3 H 1 1.981 0.030 . 2 . . . . 69 GLU HB3 . 11185 1 777 . 1 1 69 69 GLU HG2 H 1 2.333 0.030 . 2 . . . . 69 GLU HG2 . 11185 1 778 . 1 1 69 69 GLU HG3 H 1 2.297 0.030 . 2 . . . . 69 GLU HG3 . 11185 1 779 . 1 1 69 69 GLU C C 13 177.063 0.300 . 1 . . . . 69 GLU C . 11185 1 780 . 1 1 69 69 GLU CA C 13 57.846 0.300 . 1 . . . . 69 GLU CA . 11185 1 781 . 1 1 69 69 GLU CB C 13 30.160 0.300 . 1 . . . . 69 GLU CB . 11185 1 782 . 1 1 69 69 GLU CG C 13 36.458 0.300 . 1 . . . . 69 GLU CG . 11185 1 783 . 1 1 69 69 GLU N N 15 125.147 0.300 . 1 . . . . 69 GLU N . 11185 1 784 . 1 1 70 70 VAL H H 1 8.124 0.030 . 1 . . . . 70 VAL H . 11185 1 785 . 1 1 70 70 VAL HA H 1 4.047 0.030 . 1 . . . . 70 VAL HA . 11185 1 786 . 1 1 70 70 VAL HB H 1 1.907 0.030 . 1 . . . . 70 VAL HB . 11185 1 787 . 1 1 70 70 VAL HG11 H 1 0.860 0.030 . 1 . . . . 70 VAL HG1 . 11185 1 788 . 1 1 70 70 VAL HG12 H 1 0.860 0.030 . 1 . . . . 70 VAL HG1 . 11185 1 789 . 1 1 70 70 VAL HG13 H 1 0.860 0.030 . 1 . . . . 70 VAL HG1 . 11185 1 790 . 1 1 70 70 VAL HG21 H 1 0.817 0.030 . 1 . . . . 70 VAL HG2 . 11185 1 791 . 1 1 70 70 VAL HG22 H 1 0.817 0.030 . 1 . . . . 70 VAL HG2 . 11185 1 792 . 1 1 70 70 VAL HG23 H 1 0.817 0.030 . 1 . . . . 70 VAL HG2 . 11185 1 793 . 1 1 70 70 VAL C C 13 175.977 0.300 . 1 . . . . 70 VAL C . 11185 1 794 . 1 1 70 70 VAL CA C 13 62.700 0.300 . 1 . . . . 70 VAL CA . 11185 1 795 . 1 1 70 70 VAL CB C 13 32.653 0.300 . 1 . . . . 70 VAL CB . 11185 1 796 . 1 1 70 70 VAL CG1 C 13 21.367 0.300 . 2 . . . . 70 VAL CG1 . 11185 1 797 . 1 1 70 70 VAL CG2 C 13 21.367 0.300 . 2 . . . . 70 VAL CG2 . 11185 1 798 . 1 1 70 70 VAL N N 15 122.922 0.300 . 1 . . . . 70 VAL N . 11185 1 799 . 1 1 71 71 SER H H 1 8.435 0.030 . 1 . . . . 71 SER H . 11185 1 800 . 1 1 71 71 SER HA H 1 4.504 0.030 . 1 . . . . 71 SER HA . 11185 1 801 . 1 1 71 71 SER HB2 H 1 3.850 0.030 . 1 . . . . 71 SER HB2 . 11185 1 802 . 1 1 71 71 SER HB3 H 1 3.850 0.030 . 1 . . . . 71 SER HB3 . 11185 1 803 . 1 1 71 71 SER C C 13 174.499 0.300 . 1 . . . . 71 SER C . 11185 1 804 . 1 1 71 71 SER CA C 13 58.219 0.300 . 1 . . . . 71 SER CA . 11185 1 805 . 1 1 71 71 SER CB C 13 64.173 0.300 . 1 . . . . 71 SER CB . 11185 1 806 . 1 1 71 71 SER N N 15 120.287 0.300 . 1 . . . . 71 SER N . 11185 1 807 . 1 1 72 72 GLY H H 1 8.286 0.030 . 1 . . . . 72 GLY H . 11185 1 808 . 1 1 72 72 GLY HA2 H 1 4.070 0.030 . 2 . . . . 72 GLY HA2 . 11185 1 809 . 1 1 72 72 GLY HA3 H 1 4.160 0.030 . 2 . . . . 72 GLY HA3 . 11185 1 810 . 1 1 72 72 GLY C C 13 171.781 0.300 . 1 . . . . 72 GLY C . 11185 1 811 . 1 1 72 72 GLY CA C 13 44.653 0.300 . 1 . . . . 72 GLY CA . 11185 1 812 . 1 1 72 72 GLY N N 15 110.735 0.300 . 1 . . . . 72 GLY N . 11185 1 813 . 1 1 73 73 PRO HA H 1 4.476 0.030 . 1 . . . . 73 PRO HA . 11185 1 814 . 1 1 73 73 PRO HB2 H 1 1.969 0.030 . 2 . . . . 73 PRO HB2 . 11185 1 815 . 1 1 73 73 PRO HB3 H 1 2.286 0.030 . 2 . . . . 73 PRO HB3 . 11185 1 816 . 1 1 73 73 PRO HD2 H 1 3.618 0.030 . 1 . . . . 73 PRO HD2 . 11185 1 817 . 1 1 73 73 PRO HD3 H 1 3.618 0.030 . 1 . . . . 73 PRO HD3 . 11185 1 818 . 1 1 73 73 PRO HG2 H 1 2.017 0.030 . 1 . . . . 73 PRO HG2 . 11185 1 819 . 1 1 73 73 PRO HG3 H 1 2.017 0.030 . 1 . . . . 73 PRO HG3 . 11185 1 820 . 1 1 73 73 PRO CA C 13 63.260 0.300 . 1 . . . . 73 PRO CA . 11185 1 821 . 1 1 73 73 PRO CB C 13 32.245 0.300 . 1 . . . . 73 PRO CB . 11185 1 822 . 1 1 73 73 PRO CD C 13 49.861 0.300 . 1 . . . . 73 PRO CD . 11185 1 823 . 1 1 73 73 PRO CG C 13 27.124 0.300 . 1 . . . . 73 PRO CG . 11185 1 stop_ save_