data_11193 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11193 _Entry.Title ; Solution structure of the first 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 . . . 11193 2 C. Kurosaki . . . 11193 3 M. Yoshida . . . 11193 4 F. Hayashi . . . 11193 5 S. Yokoyama . . . 11193 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)' . 11193 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11193 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 280 11193 '15N chemical shifts' 72 11193 '1H chemical shifts' 437 11193 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 . 11193 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EGA 'BMRB Entry Tracking System' 11193 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11193 _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 first 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 . . . 11193 1 2 C. Kurosaki . . . 11193 1 3 M. Yoshida . . . 11193 1 4 F. Hayashi . . . 11193 1 5 S. Yokoyama . . . 11193 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11193 _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 . . . 11193 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 2ega . . . . . . 11193 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11193 _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 ; GSSGSSGLEQYVVVSNYKKQ ENSELSLQAGEVVDVIEKNE SGWWFVSTSEEQGWVPATYL EAQNSGPSSG ; _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2EGA . "Solution Structure Of The First Sh3 Domain From Human Kiaa0418 Protein" . . . . . 100.00 70 100.00 100.00 2.52e-39 . . . . 11193 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11193 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 . 11193 1 2 . SER . 11193 1 3 . SER . 11193 1 4 . GLY . 11193 1 5 . SER . 11193 1 6 . SER . 11193 1 7 . GLY . 11193 1 8 . LEU . 11193 1 9 . GLU . 11193 1 10 . GLN . 11193 1 11 . TYR . 11193 1 12 . VAL . 11193 1 13 . VAL . 11193 1 14 . VAL . 11193 1 15 . SER . 11193 1 16 . ASN . 11193 1 17 . TYR . 11193 1 18 . LYS . 11193 1 19 . LYS . 11193 1 20 . GLN . 11193 1 21 . GLU . 11193 1 22 . ASN . 11193 1 23 . SER . 11193 1 24 . GLU . 11193 1 25 . LEU . 11193 1 26 . SER . 11193 1 27 . LEU . 11193 1 28 . GLN . 11193 1 29 . ALA . 11193 1 30 . GLY . 11193 1 31 . GLU . 11193 1 32 . VAL . 11193 1 33 . VAL . 11193 1 34 . ASP . 11193 1 35 . VAL . 11193 1 36 . ILE . 11193 1 37 . GLU . 11193 1 38 . LYS . 11193 1 39 . ASN . 11193 1 40 . GLU . 11193 1 41 . SER . 11193 1 42 . GLY . 11193 1 43 . TRP . 11193 1 44 . TRP . 11193 1 45 . PHE . 11193 1 46 . VAL . 11193 1 47 . SER . 11193 1 48 . THR . 11193 1 49 . SER . 11193 1 50 . GLU . 11193 1 51 . GLU . 11193 1 52 . GLN . 11193 1 53 . GLY . 11193 1 54 . TRP . 11193 1 55 . VAL . 11193 1 56 . PRO . 11193 1 57 . ALA . 11193 1 58 . THR . 11193 1 59 . TYR . 11193 1 60 . LEU . 11193 1 61 . GLU . 11193 1 62 . ALA . 11193 1 63 . GLN . 11193 1 64 . ASN . 11193 1 65 . SER . 11193 1 66 . GLY . 11193 1 67 . PRO . 11193 1 68 . SER . 11193 1 69 . SER . 11193 1 70 . GLY . 11193 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 11193 1 . SER 2 2 11193 1 . SER 3 3 11193 1 . GLY 4 4 11193 1 . SER 5 5 11193 1 . SER 6 6 11193 1 . GLY 7 7 11193 1 . LEU 8 8 11193 1 . GLU 9 9 11193 1 . GLN 10 10 11193 1 . TYR 11 11 11193 1 . VAL 12 12 11193 1 . VAL 13 13 11193 1 . VAL 14 14 11193 1 . SER 15 15 11193 1 . ASN 16 16 11193 1 . TYR 17 17 11193 1 . LYS 18 18 11193 1 . LYS 19 19 11193 1 . GLN 20 20 11193 1 . GLU 21 21 11193 1 . ASN 22 22 11193 1 . SER 23 23 11193 1 . GLU 24 24 11193 1 . LEU 25 25 11193 1 . SER 26 26 11193 1 . LEU 27 27 11193 1 . GLN 28 28 11193 1 . ALA 29 29 11193 1 . GLY 30 30 11193 1 . GLU 31 31 11193 1 . VAL 32 32 11193 1 . VAL 33 33 11193 1 . ASP 34 34 11193 1 . VAL 35 35 11193 1 . ILE 36 36 11193 1 . GLU 37 37 11193 1 . LYS 38 38 11193 1 . ASN 39 39 11193 1 . GLU 40 40 11193 1 . SER 41 41 11193 1 . GLY 42 42 11193 1 . TRP 43 43 11193 1 . TRP 44 44 11193 1 . PHE 45 45 11193 1 . VAL 46 46 11193 1 . SER 47 47 11193 1 . THR 48 48 11193 1 . SER 49 49 11193 1 . GLU 50 50 11193 1 . GLU 51 51 11193 1 . GLN 52 52 11193 1 . GLY 53 53 11193 1 . TRP 54 54 11193 1 . VAL 55 55 11193 1 . PRO 56 56 11193 1 . ALA 57 57 11193 1 . THR 58 58 11193 1 . TYR 59 59 11193 1 . LEU 60 60 11193 1 . GLU 61 61 11193 1 . ALA 62 62 11193 1 . GLN 63 63 11193 1 . ASN 64 64 11193 1 . SER 65 65 11193 1 . GLY 66 66 11193 1 . PRO 67 67 11193 1 . SER 68 68 11193 1 . SER 69 69 11193 1 . GLY 70 70 11193 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 11193 _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 . . . . . . . . . . . . . . . . . . . . . 11193 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 11193 _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 . . P050905-04 . . . . . . 11193 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11193 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.13mM 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 1.13 . . mM . . . . 11193 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11193 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11193 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11193 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11193 1 6 H2O . . . . . . solvent 90 . . % . . . . 11193 1 7 D2O . . . . . . solvent 10 . . % . . . . 11193 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 11193 _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 11193 1 pH 7.0 0.05 pH 11193 1 pressure 1 0.001 atm 11193 1 temperature 298 0.1 K 11193 1 stop_ save_ ############################ # Computer software used # ############################ save_Delta_NMR _Software.Sf_category software _Software.Sf_framecode Delta_NMR _Software.Entry_ID 11193 _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 . . 11193 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11193 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11193 _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.' . . 11193 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11193 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11193 _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.' . . 11193 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11193 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11193 _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.' . . 11193 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11193 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11193 _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.' . . 11193 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11193 5 'structure solution' 11193 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 11193 _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 11193 _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 . . . 11193 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 11193 _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 . . . . . . . . . . . . . . . . 11193 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11193 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 11193 _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 . . . . . . . . . 11193 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11193 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11193 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 11193 _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 11193 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11193 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 . . 11193 1 2 $NMRPipe . . 11193 1 3 $NMRView . . 11193 1 4 $Kujira . . 11193 1 5 $CYANA . . 11193 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 4.485 0.030 . 1 . . . . 6 SER HA . 11193 1 2 . 1 1 6 6 SER HB2 H 1 3.901 0.030 . 1 . . . . 6 SER HB2 . 11193 1 3 . 1 1 6 6 SER HB3 H 1 3.901 0.030 . 1 . . . . 6 SER HB3 . 11193 1 4 . 1 1 6 6 SER C C 13 174.842 0.300 . 1 . . . . 6 SER C . 11193 1 5 . 1 1 6 6 SER CA C 13 58.438 0.300 . 1 . . . . 6 SER CA . 11193 1 6 . 1 1 6 6 SER CB C 13 63.772 0.300 . 1 . . . . 6 SER CB . 11193 1 7 . 1 1 7 7 GLY H H 1 8.397 0.030 . 1 . . . . 7 GLY H . 11193 1 8 . 1 1 7 7 GLY HA2 H 1 3.937 0.030 . 1 . . . . 7 GLY HA2 . 11193 1 9 . 1 1 7 7 GLY HA3 H 1 3.937 0.030 . 1 . . . . 7 GLY HA3 . 11193 1 10 . 1 1 7 7 GLY C C 13 173.657 0.300 . 1 . . . . 7 GLY C . 11193 1 11 . 1 1 7 7 GLY CA C 13 45.085 0.300 . 1 . . . . 7 GLY CA . 11193 1 12 . 1 1 7 7 GLY N N 15 110.598 0.300 . 1 . . . . 7 GLY N . 11193 1 13 . 1 1 8 8 LEU H H 1 8.005 0.030 . 1 . . . . 8 LEU H . 11193 1 14 . 1 1 8 8 LEU HA H 1 4.468 0.030 . 1 . . . . 8 LEU HA . 11193 1 15 . 1 1 8 8 LEU HB2 H 1 1.536 0.030 . 2 . . . . 8 LEU HB2 . 11193 1 16 . 1 1 8 8 LEU HB3 H 1 1.582 0.030 . 2 . . . . 8 LEU HB3 . 11193 1 17 . 1 1 8 8 LEU HD11 H 1 0.837 0.030 . 1 . . . . 8 LEU HD1 . 11193 1 18 . 1 1 8 8 LEU HD12 H 1 0.837 0.030 . 1 . . . . 8 LEU HD1 . 11193 1 19 . 1 1 8 8 LEU HD13 H 1 0.837 0.030 . 1 . . . . 8 LEU HD1 . 11193 1 20 . 1 1 8 8 LEU HD21 H 1 0.880 0.030 . 1 . . . . 8 LEU HD2 . 11193 1 21 . 1 1 8 8 LEU HD22 H 1 0.880 0.030 . 1 . . . . 8 LEU HD2 . 11193 1 22 . 1 1 8 8 LEU HD23 H 1 0.880 0.030 . 1 . . . . 8 LEU HD2 . 11193 1 23 . 1 1 8 8 LEU HG H 1 1.565 0.030 . 1 . . . . 8 LEU HG . 11193 1 24 . 1 1 8 8 LEU C C 13 177.001 0.300 . 1 . . . . 8 LEU C . 11193 1 25 . 1 1 8 8 LEU CA C 13 54.452 0.300 . 1 . . . . 8 LEU CA . 11193 1 26 . 1 1 8 8 LEU CB C 13 42.202 0.300 . 1 . . . . 8 LEU CB . 11193 1 27 . 1 1 8 8 LEU CD1 C 13 25.196 0.300 . 2 . . . . 8 LEU CD1 . 11193 1 28 . 1 1 8 8 LEU CD2 C 13 22.782 0.300 . 2 . . . . 8 LEU CD2 . 11193 1 29 . 1 1 8 8 LEU CG C 13 26.899 0.300 . 1 . . . . 8 LEU CG . 11193 1 30 . 1 1 8 8 LEU N N 15 121.156 0.300 . 1 . . . . 8 LEU N . 11193 1 31 . 1 1 9 9 GLU H H 1 8.661 0.030 . 1 . . . . 9 GLU H . 11193 1 32 . 1 1 9 9 GLU HA H 1 4.383 0.030 . 1 . . . . 9 GLU HA . 11193 1 33 . 1 1 9 9 GLU HB2 H 1 1.986 0.030 . 2 . . . . 9 GLU HB2 . 11193 1 34 . 1 1 9 9 GLU HB3 H 1 2.162 0.030 . 2 . . . . 9 GLU HB3 . 11193 1 35 . 1 1 9 9 GLU HG2 H 1 2.363 0.030 . 2 . . . . 9 GLU HG2 . 11193 1 36 . 1 1 9 9 GLU HG3 H 1 2.266 0.030 . 2 . . . . 9 GLU HG3 . 11193 1 37 . 1 1 9 9 GLU C C 13 175.342 0.300 . 1 . . . . 9 GLU C . 11193 1 38 . 1 1 9 9 GLU CA C 13 56.293 0.300 . 1 . . . . 9 GLU CA . 11193 1 39 . 1 1 9 9 GLU CB C 13 31.539 0.300 . 1 . . . . 9 GLU CB . 11193 1 40 . 1 1 9 9 GLU CG C 13 36.459 0.300 . 1 . . . . 9 GLU CG . 11193 1 41 . 1 1 9 9 GLU N N 15 122.240 0.300 . 1 . . . . 9 GLU N . 11193 1 42 . 1 1 10 10 GLN H H 1 8.328 0.030 . 1 . . . . 10 GLN H . 11193 1 43 . 1 1 10 10 GLN HA H 1 5.445 0.030 . 1 . . . . 10 GLN HA . 11193 1 44 . 1 1 10 10 GLN HB2 H 1 1.764 0.030 . 2 . . . . 10 GLN HB2 . 11193 1 45 . 1 1 10 10 GLN HB3 H 1 1.978 0.030 . 2 . . . . 10 GLN HB3 . 11193 1 46 . 1 1 10 10 GLN HE21 H 1 6.702 0.030 . 2 . . . . 10 GLN HE21 . 11193 1 47 . 1 1 10 10 GLN HE22 H 1 8.039 0.030 . 2 . . . . 10 GLN HE22 . 11193 1 48 . 1 1 10 10 GLN HG2 H 1 2.360 0.030 . 1 . . . . 10 GLN HG2 . 11193 1 49 . 1 1 10 10 GLN HG3 H 1 2.360 0.030 . 1 . . . . 10 GLN HG3 . 11193 1 50 . 1 1 10 10 GLN C C 13 175.460 0.300 . 1 . . . . 10 GLN C . 11193 1 51 . 1 1 10 10 GLN CA C 13 55.225 0.300 . 1 . . . . 10 GLN CA . 11193 1 52 . 1 1 10 10 GLN CB C 13 30.986 0.300 . 1 . . . . 10 GLN CB . 11193 1 53 . 1 1 10 10 GLN CG C 13 34.613 0.300 . 1 . . . . 10 GLN CG . 11193 1 54 . 1 1 10 10 GLN N N 15 120.403 0.300 . 1 . . . . 10 GLN N . 11193 1 55 . 1 1 10 10 GLN NE2 N 15 114.099 0.300 . 1 . . . . 10 GLN NE2 . 11193 1 56 . 1 1 11 11 TYR H H 1 9.161 0.030 . 1 . . . . 11 TYR H . 11193 1 57 . 1 1 11 11 TYR HA H 1 4.906 0.030 . 1 . . . . 11 TYR HA . 11193 1 58 . 1 1 11 11 TYR HB2 H 1 2.699 0.030 . 2 . . . . 11 TYR HB2 . 11193 1 59 . 1 1 11 11 TYR HB3 H 1 2.777 0.030 . 2 . . . . 11 TYR HB3 . 11193 1 60 . 1 1 11 11 TYR HD1 H 1 6.892 0.030 . 1 . . . . 11 TYR HD1 . 11193 1 61 . 1 1 11 11 TYR HD2 H 1 6.892 0.030 . 1 . . . . 11 TYR HD2 . 11193 1 62 . 1 1 11 11 TYR HE1 H 1 6.931 0.030 . 1 . . . . 11 TYR HE1 . 11193 1 63 . 1 1 11 11 TYR HE2 H 1 6.931 0.030 . 1 . . . . 11 TYR HE2 . 11193 1 64 . 1 1 11 11 TYR C C 13 173.051 0.300 . 1 . . . . 11 TYR C . 11193 1 65 . 1 1 11 11 TYR CA C 13 56.548 0.300 . 1 . . . . 11 TYR CA . 11193 1 66 . 1 1 11 11 TYR CB C 13 42.943 0.300 . 1 . . . . 11 TYR CB . 11193 1 67 . 1 1 11 11 TYR CD1 C 13 133.170 0.300 . 1 . . . . 11 TYR CD1 . 11193 1 68 . 1 1 11 11 TYR CD2 C 13 133.170 0.300 . 1 . . . . 11 TYR CD2 . 11193 1 69 . 1 1 11 11 TYR CE1 C 13 117.871 0.300 . 1 . . . . 11 TYR CE1 . 11193 1 70 . 1 1 11 11 TYR CE2 C 13 117.871 0.300 . 1 . . . . 11 TYR CE2 . 11193 1 71 . 1 1 11 11 TYR N N 15 124.001 0.300 . 1 . . . . 11 TYR N . 11193 1 72 . 1 1 12 12 VAL H H 1 9.405 0.030 . 1 . . . . 12 VAL H . 11193 1 73 . 1 1 12 12 VAL HA H 1 4.954 0.030 . 1 . . . . 12 VAL HA . 11193 1 74 . 1 1 12 12 VAL HB H 1 1.874 0.030 . 1 . . . . 12 VAL HB . 11193 1 75 . 1 1 12 12 VAL HG11 H 1 0.903 0.030 . 1 . . . . 12 VAL HG1 . 11193 1 76 . 1 1 12 12 VAL HG12 H 1 0.903 0.030 . 1 . . . . 12 VAL HG1 . 11193 1 77 . 1 1 12 12 VAL HG13 H 1 0.903 0.030 . 1 . . . . 12 VAL HG1 . 11193 1 78 . 1 1 12 12 VAL HG21 H 1 0.857 0.030 . 1 . . . . 12 VAL HG2 . 11193 1 79 . 1 1 12 12 VAL HG22 H 1 0.857 0.030 . 1 . . . . 12 VAL HG2 . 11193 1 80 . 1 1 12 12 VAL HG23 H 1 0.857 0.030 . 1 . . . . 12 VAL HG2 . 11193 1 81 . 1 1 12 12 VAL C C 13 174.789 0.300 . 1 . . . . 12 VAL C . 11193 1 82 . 1 1 12 12 VAL CA C 13 59.543 0.300 . 1 . . . . 12 VAL CA . 11193 1 83 . 1 1 12 12 VAL CB C 13 34.369 0.300 . 1 . . . . 12 VAL CB . 11193 1 84 . 1 1 12 12 VAL CG1 C 13 21.660 0.300 . 2 . . . . 12 VAL CG1 . 11193 1 85 . 1 1 12 12 VAL CG2 C 13 20.558 0.300 . 2 . . . . 12 VAL CG2 . 11193 1 86 . 1 1 12 12 VAL N N 15 119.982 0.300 . 1 . . . . 12 VAL N . 11193 1 87 . 1 1 13 13 VAL H H 1 8.764 0.030 . 1 . . . . 13 VAL H . 11193 1 88 . 1 1 13 13 VAL HA H 1 4.455 0.030 . 1 . . . . 13 VAL HA . 11193 1 89 . 1 1 13 13 VAL HB H 1 2.268 0.030 . 1 . . . . 13 VAL HB . 11193 1 90 . 1 1 13 13 VAL HG11 H 1 0.910 0.030 . 1 . . . . 13 VAL HG1 . 11193 1 91 . 1 1 13 13 VAL HG12 H 1 0.910 0.030 . 1 . . . . 13 VAL HG1 . 11193 1 92 . 1 1 13 13 VAL HG13 H 1 0.910 0.030 . 1 . . . . 13 VAL HG1 . 11193 1 93 . 1 1 13 13 VAL HG21 H 1 0.967 0.030 . 1 . . . . 13 VAL HG2 . 11193 1 94 . 1 1 13 13 VAL HG22 H 1 0.967 0.030 . 1 . . . . 13 VAL HG2 . 11193 1 95 . 1 1 13 13 VAL HG23 H 1 0.967 0.030 . 1 . . . . 13 VAL HG2 . 11193 1 96 . 1 1 13 13 VAL C C 13 178.712 0.300 . 1 . . . . 13 VAL C . 11193 1 97 . 1 1 13 13 VAL CA C 13 62.297 0.300 . 1 . . . . 13 VAL CA . 11193 1 98 . 1 1 13 13 VAL CB C 13 31.811 0.300 . 1 . . . . 13 VAL CB . 11193 1 99 . 1 1 13 13 VAL CG1 C 13 23.256 0.300 . 2 . . . . 13 VAL CG1 . 11193 1 100 . 1 1 13 13 VAL CG2 C 13 23.386 0.300 . 2 . . . . 13 VAL CG2 . 11193 1 101 . 1 1 13 13 VAL N N 15 126.271 0.300 . 1 . . . . 13 VAL N . 11193 1 102 . 1 1 14 14 VAL H H 1 9.133 0.030 . 1 . . . . 14 VAL H . 11193 1 103 . 1 1 14 14 VAL HA H 1 4.156 0.030 . 1 . . . . 14 VAL HA . 11193 1 104 . 1 1 14 14 VAL HB H 1 2.080 0.030 . 1 . . . . 14 VAL HB . 11193 1 105 . 1 1 14 14 VAL HG11 H 1 0.873 0.030 . 1 . . . . 14 VAL HG1 . 11193 1 106 . 1 1 14 14 VAL HG12 H 1 0.873 0.030 . 1 . . . . 14 VAL HG1 . 11193 1 107 . 1 1 14 14 VAL HG13 H 1 0.873 0.030 . 1 . . . . 14 VAL HG1 . 11193 1 108 . 1 1 14 14 VAL HG21 H 1 0.800 0.030 . 1 . . . . 14 VAL HG2 . 11193 1 109 . 1 1 14 14 VAL HG22 H 1 0.800 0.030 . 1 . . . . 14 VAL HG2 . 11193 1 110 . 1 1 14 14 VAL HG23 H 1 0.800 0.030 . 1 . . . . 14 VAL HG2 . 11193 1 111 . 1 1 14 14 VAL C C 13 175.434 0.300 . 1 . . . . 14 VAL C . 11193 1 112 . 1 1 14 14 VAL CA C 13 63.138 0.300 . 1 . . . . 14 VAL CA . 11193 1 113 . 1 1 14 14 VAL CB C 13 32.592 0.300 . 1 . . . . 14 VAL CB . 11193 1 114 . 1 1 14 14 VAL CG1 C 13 21.590 0.300 . 2 . . . . 14 VAL CG1 . 11193 1 115 . 1 1 14 14 VAL CG2 C 13 19.438 0.300 . 2 . . . . 14 VAL CG2 . 11193 1 116 . 1 1 14 14 VAL N N 15 126.385 0.300 . 1 . . . . 14 VAL N . 11193 1 117 . 1 1 15 15 SER H H 1 7.350 0.030 . 1 . . . . 15 SER H . 11193 1 118 . 1 1 15 15 SER HA H 1 4.595 0.030 . 1 . . . . 15 SER HA . 11193 1 119 . 1 1 15 15 SER HB2 H 1 3.648 0.030 . 2 . . . . 15 SER HB2 . 11193 1 120 . 1 1 15 15 SER HB3 H 1 3.751 0.030 . 2 . . . . 15 SER HB3 . 11193 1 121 . 1 1 15 15 SER C C 13 170.919 0.300 . 1 . . . . 15 SER C . 11193 1 122 . 1 1 15 15 SER CA C 13 56.914 0.300 . 1 . . . . 15 SER CA . 11193 1 123 . 1 1 15 15 SER CB C 13 65.300 0.300 . 1 . . . . 15 SER CB . 11193 1 124 . 1 1 15 15 SER N N 15 113.862 0.300 . 1 . . . . 15 SER N . 11193 1 125 . 1 1 16 16 ASN H H 1 8.474 0.030 . 1 . . . . 16 ASN H . 11193 1 126 . 1 1 16 16 ASN HA H 1 4.584 0.030 . 1 . . . . 16 ASN HA . 11193 1 127 . 1 1 16 16 ASN HB2 H 1 2.792 0.030 . 1 . . . . 16 ASN HB2 . 11193 1 128 . 1 1 16 16 ASN HB3 H 1 2.792 0.030 . 1 . . . . 16 ASN HB3 . 11193 1 129 . 1 1 16 16 ASN HD21 H 1 7.621 0.030 . 2 . . . . 16 ASN HD21 . 11193 1 130 . 1 1 16 16 ASN HD22 H 1 6.921 0.030 . 2 . . . . 16 ASN HD22 . 11193 1 131 . 1 1 16 16 ASN C C 13 174.802 0.300 . 1 . . . . 16 ASN C . 11193 1 132 . 1 1 16 16 ASN CA C 13 53.784 0.300 . 1 . . . . 16 ASN CA . 11193 1 133 . 1 1 16 16 ASN CB C 13 38.263 0.300 . 1 . . . . 16 ASN CB . 11193 1 134 . 1 1 16 16 ASN N N 15 118.846 0.300 . 1 . . . . 16 ASN N . 11193 1 135 . 1 1 16 16 ASN ND2 N 15 112.234 0.300 . 1 . . . . 16 ASN ND2 . 11193 1 136 . 1 1 17 17 TYR H H 1 8.712 0.030 . 1 . . . . 17 TYR H . 11193 1 137 . 1 1 17 17 TYR HA H 1 4.467 0.030 . 1 . . . . 17 TYR HA . 11193 1 138 . 1 1 17 17 TYR HB2 H 1 2.387 0.030 . 1 . . . . 17 TYR HB2 . 11193 1 139 . 1 1 17 17 TYR HB3 H 1 2.387 0.030 . 1 . . . . 17 TYR HB3 . 11193 1 140 . 1 1 17 17 TYR HD1 H 1 6.745 0.030 . 1 . . . . 17 TYR HD1 . 11193 1 141 . 1 1 17 17 TYR HD2 H 1 6.745 0.030 . 1 . . . . 17 TYR HD2 . 11193 1 142 . 1 1 17 17 TYR HE1 H 1 6.774 0.030 . 1 . . . . 17 TYR HE1 . 11193 1 143 . 1 1 17 17 TYR HE2 H 1 6.774 0.030 . 1 . . . . 17 TYR HE2 . 11193 1 144 . 1 1 17 17 TYR C C 13 173.881 0.300 . 1 . . . . 17 TYR C . 11193 1 145 . 1 1 17 17 TYR CA C 13 57.908 0.300 . 1 . . . . 17 TYR CA . 11193 1 146 . 1 1 17 17 TYR CB C 13 41.379 0.300 . 1 . . . . 17 TYR CB . 11193 1 147 . 1 1 17 17 TYR CD1 C 13 132.734 0.300 . 1 . . . . 17 TYR CD1 . 11193 1 148 . 1 1 17 17 TYR CD2 C 13 132.734 0.300 . 1 . . . . 17 TYR CD2 . 11193 1 149 . 1 1 17 17 TYR CE1 C 13 117.491 0.300 . 1 . . . . 17 TYR CE1 . 11193 1 150 . 1 1 17 17 TYR CE2 C 13 117.491 0.300 . 1 . . . . 17 TYR CE2 . 11193 1 151 . 1 1 17 17 TYR N N 15 121.709 0.300 . 1 . . . . 17 TYR N . 11193 1 152 . 1 1 18 18 LYS H H 1 7.353 0.030 . 1 . . . . 18 LYS H . 11193 1 153 . 1 1 18 18 LYS HA H 1 4.376 0.030 . 1 . . . . 18 LYS HA . 11193 1 154 . 1 1 18 18 LYS HB2 H 1 1.442 0.030 . 2 . . . . 18 LYS HB2 . 11193 1 155 . 1 1 18 18 LYS HB3 H 1 1.502 0.030 . 2 . . . . 18 LYS HB3 . 11193 1 156 . 1 1 18 18 LYS HD2 H 1 1.594 0.030 . 1 . . . . 18 LYS HD2 . 11193 1 157 . 1 1 18 18 LYS HD3 H 1 1.594 0.030 . 1 . . . . 18 LYS HD3 . 11193 1 158 . 1 1 18 18 LYS HE2 H 1 2.936 0.030 . 1 . . . . 18 LYS HE2 . 11193 1 159 . 1 1 18 18 LYS HE3 H 1 2.936 0.030 . 1 . . . . 18 LYS HE3 . 11193 1 160 . 1 1 18 18 LYS HG2 H 1 1.255 0.030 . 1 . . . . 18 LYS HG2 . 11193 1 161 . 1 1 18 18 LYS HG3 H 1 1.255 0.030 . 1 . . . . 18 LYS HG3 . 11193 1 162 . 1 1 18 18 LYS C C 13 174.012 0.300 . 1 . . . . 18 LYS C . 11193 1 163 . 1 1 18 18 LYS CA C 13 53.761 0.300 . 1 . . . . 18 LYS CA . 11193 1 164 . 1 1 18 18 LYS CB C 13 33.085 0.300 . 1 . . . . 18 LYS CB . 11193 1 165 . 1 1 18 18 LYS CD C 13 28.814 0.300 . 1 . . . . 18 LYS CD . 11193 1 166 . 1 1 18 18 LYS CE C 13 41.900 0.300 . 1 . . . . 18 LYS CE . 11193 1 167 . 1 1 18 18 LYS CG C 13 24.152 0.300 . 1 . . . . 18 LYS CG . 11193 1 168 . 1 1 18 18 LYS N N 15 129.238 0.300 . 1 . . . . 18 LYS N . 11193 1 169 . 1 1 19 19 LYS H H 1 8.215 0.030 . 1 . . . . 19 LYS H . 11193 1 170 . 1 1 19 19 LYS HA H 1 4.114 0.030 . 1 . . . . 19 LYS HA . 11193 1 171 . 1 1 19 19 LYS HB2 H 1 1.967 0.030 . 2 . . . . 19 LYS HB2 . 11193 1 172 . 1 1 19 19 LYS HB3 H 1 1.596 0.030 . 2 . . . . 19 LYS HB3 . 11193 1 173 . 1 1 19 19 LYS HD2 H 1 1.635 0.030 . 2 . . . . 19 LYS HD2 . 11193 1 174 . 1 1 19 19 LYS HD3 H 1 1.720 0.030 . 2 . . . . 19 LYS HD3 . 11193 1 175 . 1 1 19 19 LYS HE2 H 1 3.115 0.030 . 2 . . . . 19 LYS HE2 . 11193 1 176 . 1 1 19 19 LYS HE3 H 1 2.958 0.030 . 2 . . . . 19 LYS HE3 . 11193 1 177 . 1 1 19 19 LYS HG2 H 1 1.155 0.030 . 2 . . . . 19 LYS HG2 . 11193 1 178 . 1 1 19 19 LYS HG3 H 1 1.314 0.030 . 2 . . . . 19 LYS HG3 . 11193 1 179 . 1 1 19 19 LYS C C 13 175.987 0.300 . 1 . . . . 19 LYS C . 11193 1 180 . 1 1 19 19 LYS CA C 13 56.841 0.300 . 1 . . . . 19 LYS CA . 11193 1 181 . 1 1 19 19 LYS CB C 13 33.003 0.300 . 1 . . . . 19 LYS CB . 11193 1 182 . 1 1 19 19 LYS CD C 13 29.842 0.300 . 1 . . . . 19 LYS CD . 11193 1 183 . 1 1 19 19 LYS CE C 13 42.085 0.300 . 1 . . . . 19 LYS CE . 11193 1 184 . 1 1 19 19 LYS CG C 13 23.384 0.300 . 1 . . . . 19 LYS CG . 11193 1 185 . 1 1 19 19 LYS N N 15 124.304 0.300 . 1 . . . . 19 LYS N . 11193 1 186 . 1 1 20 20 GLN H H 1 8.964 0.030 . 1 . . . . 20 GLN H . 11193 1 187 . 1 1 20 20 GLN HA H 1 4.382 0.030 . 1 . . . . 20 GLN HA . 11193 1 188 . 1 1 20 20 GLN HB2 H 1 2.309 0.030 . 1 . . . . 20 GLN HB2 . 11193 1 189 . 1 1 20 20 GLN HB3 H 1 2.309 0.030 . 1 . . . . 20 GLN HB3 . 11193 1 190 . 1 1 20 20 GLN HE21 H 1 7.560 0.030 . 2 . . . . 20 GLN HE21 . 11193 1 191 . 1 1 20 20 GLN HE22 H 1 6.851 0.030 . 2 . . . . 20 GLN HE22 . 11193 1 192 . 1 1 20 20 GLN HG2 H 1 2.432 0.030 . 2 . . . . 20 GLN HG2 . 11193 1 193 . 1 1 20 20 GLN HG3 H 1 2.562 0.030 . 2 . . . . 20 GLN HG3 . 11193 1 194 . 1 1 20 20 GLN C C 13 175.381 0.300 . 1 . . . . 20 GLN C . 11193 1 195 . 1 1 20 20 GLN CA C 13 55.185 0.300 . 1 . . . . 20 GLN CA . 11193 1 196 . 1 1 20 20 GLN CB C 13 30.490 0.300 . 1 . . . . 20 GLN CB . 11193 1 197 . 1 1 20 20 GLN CG C 13 33.860 0.300 . 1 . . . . 20 GLN CG . 11193 1 198 . 1 1 20 20 GLN N N 15 121.978 0.300 . 1 . . . . 20 GLN N . 11193 1 199 . 1 1 20 20 GLN NE2 N 15 113.556 0.300 . 1 . . . . 20 GLN NE2 . 11193 1 200 . 1 1 21 21 GLU H H 1 7.405 0.030 . 1 . . . . 21 GLU H . 11193 1 201 . 1 1 21 21 GLU HA H 1 4.483 0.030 . 1 . . . . 21 GLU HA . 11193 1 202 . 1 1 21 21 GLU HB2 H 1 1.791 0.030 . 2 . . . . 21 GLU HB2 . 11193 1 203 . 1 1 21 21 GLU HB3 H 1 2.187 0.030 . 2 . . . . 21 GLU HB3 . 11193 1 204 . 1 1 21 21 GLU HG2 H 1 2.258 0.030 . 1 . . . . 21 GLU HG2 . 11193 1 205 . 1 1 21 21 GLU HG3 H 1 2.258 0.030 . 1 . . . . 21 GLU HG3 . 11193 1 206 . 1 1 21 21 GLU CA C 13 54.902 0.300 . 1 . . . . 21 GLU CA . 11193 1 207 . 1 1 21 21 GLU CB C 13 32.074 0.300 . 1 . . . . 21 GLU CB . 11193 1 208 . 1 1 21 21 GLU CG C 13 35.441 0.300 . 1 . . . . 21 GLU CG . 11193 1 209 . 1 1 22 22 ASN HA H 1 4.441 0.030 . 1 . . . . 22 ASN HA . 11193 1 210 . 1 1 22 22 ASN HB2 H 1 2.913 0.030 . 1 . . . . 22 ASN HB2 . 11193 1 211 . 1 1 22 22 ASN HB3 H 1 2.913 0.030 . 1 . . . . 22 ASN HB3 . 11193 1 212 . 1 1 22 22 ASN HD21 H 1 7.723 0.030 . 2 . . . . 22 ASN HD21 . 11193 1 213 . 1 1 22 22 ASN HD22 H 1 7.018 0.030 . 2 . . . . 22 ASN HD22 . 11193 1 214 . 1 1 22 22 ASN C C 13 175.552 0.300 . 1 . . . . 22 ASN C . 11193 1 215 . 1 1 22 22 ASN CA C 13 55.996 0.300 . 1 . . . . 22 ASN CA . 11193 1 216 . 1 1 22 22 ASN CB C 13 38.319 0.300 . 1 . . . . 22 ASN CB . 11193 1 217 . 1 1 22 22 ASN ND2 N 15 113.180 0.300 . 1 . . . . 22 ASN ND2 . 11193 1 218 . 1 1 23 23 SER H H 1 8.115 0.030 . 1 . . . . 23 SER H . 11193 1 219 . 1 1 23 23 SER HA H 1 4.699 0.030 . 1 . . . . 23 SER HA . 11193 1 220 . 1 1 23 23 SER HB2 H 1 4.344 0.030 . 2 . . . . 23 SER HB2 . 11193 1 221 . 1 1 23 23 SER HB3 H 1 4.074 0.030 . 2 . . . . 23 SER HB3 . 11193 1 222 . 1 1 23 23 SER C C 13 174.894 0.300 . 1 . . . . 23 SER C . 11193 1 223 . 1 1 23 23 SER CA C 13 58.530 0.300 . 1 . . . . 23 SER CA . 11193 1 224 . 1 1 23 23 SER CB C 13 63.135 0.300 . 1 . . . . 23 SER CB . 11193 1 225 . 1 1 23 23 SER N N 15 111.564 0.300 . 1 . . . . 23 SER N . 11193 1 226 . 1 1 24 24 GLU H H 1 7.799 0.030 . 1 . . . . 24 GLU H . 11193 1 227 . 1 1 24 24 GLU HA H 1 5.532 0.030 . 1 . . . . 24 GLU HA . 11193 1 228 . 1 1 24 24 GLU HB2 H 1 2.401 0.030 . 2 . . . . 24 GLU HB2 . 11193 1 229 . 1 1 24 24 GLU HB3 H 1 2.708 0.030 . 2 . . . . 24 GLU HB3 . 11193 1 230 . 1 1 24 24 GLU HG2 H 1 2.312 0.030 . 2 . . . . 24 GLU HG2 . 11193 1 231 . 1 1 24 24 GLU HG3 H 1 2.586 0.030 . 2 . . . . 24 GLU HG3 . 11193 1 232 . 1 1 24 24 GLU C C 13 175.184 0.300 . 1 . . . . 24 GLU C . 11193 1 233 . 1 1 24 24 GLU CA C 13 55.404 0.300 . 1 . . . . 24 GLU CA . 11193 1 234 . 1 1 24 24 GLU CB C 13 32.582 0.300 . 1 . . . . 24 GLU CB . 11193 1 235 . 1 1 24 24 GLU CG C 13 36.604 0.300 . 1 . . . . 24 GLU CG . 11193 1 236 . 1 1 24 24 GLU N N 15 122.170 0.300 . 1 . . . . 24 GLU N . 11193 1 237 . 1 1 25 25 LEU H H 1 7.498 0.030 . 1 . . . . 25 LEU H . 11193 1 238 . 1 1 25 25 LEU HA H 1 4.654 0.030 . 1 . . . . 25 LEU HA . 11193 1 239 . 1 1 25 25 LEU HB2 H 1 1.182 0.030 . 2 . . . . 25 LEU HB2 . 11193 1 240 . 1 1 25 25 LEU HB3 H 1 1.387 0.030 . 2 . . . . 25 LEU HB3 . 11193 1 241 . 1 1 25 25 LEU HD11 H 1 0.650 0.030 . 1 . . . . 25 LEU HD1 . 11193 1 242 . 1 1 25 25 LEU HD12 H 1 0.650 0.030 . 1 . . . . 25 LEU HD1 . 11193 1 243 . 1 1 25 25 LEU HD13 H 1 0.650 0.030 . 1 . . . . 25 LEU HD1 . 11193 1 244 . 1 1 25 25 LEU HD21 H 1 0.604 0.030 . 1 . . . . 25 LEU HD2 . 11193 1 245 . 1 1 25 25 LEU HD22 H 1 0.604 0.030 . 1 . . . . 25 LEU HD2 . 11193 1 246 . 1 1 25 25 LEU HD23 H 1 0.604 0.030 . 1 . . . . 25 LEU HD2 . 11193 1 247 . 1 1 25 25 LEU HG H 1 1.307 0.030 . 1 . . . . 25 LEU HG . 11193 1 248 . 1 1 25 25 LEU C C 13 175.289 0.300 . 1 . . . . 25 LEU C . 11193 1 249 . 1 1 25 25 LEU CA C 13 53.664 0.300 . 1 . . . . 25 LEU CA . 11193 1 250 . 1 1 25 25 LEU CB C 13 44.606 0.300 . 1 . . . . 25 LEU CB . 11193 1 251 . 1 1 25 25 LEU CD1 C 13 25.659 0.300 . 2 . . . . 25 LEU CD1 . 11193 1 252 . 1 1 25 25 LEU CD2 C 13 24.702 0.300 . 2 . . . . 25 LEU CD2 . 11193 1 253 . 1 1 25 25 LEU CG C 13 26.448 0.300 . 1 . . . . 25 LEU CG . 11193 1 254 . 1 1 25 25 LEU N N 15 118.827 0.300 . 1 . . . . 25 LEU N . 11193 1 255 . 1 1 26 26 SER H H 1 8.105 0.030 . 1 . . . . 26 SER H . 11193 1 256 . 1 1 26 26 SER HA H 1 4.979 0.030 . 1 . . . . 26 SER HA . 11193 1 257 . 1 1 26 26 SER HB2 H 1 3.998 0.030 . 2 . . . . 26 SER HB2 . 11193 1 258 . 1 1 26 26 SER HB3 H 1 3.809 0.030 . 2 . . . . 26 SER HB3 . 11193 1 259 . 1 1 26 26 SER C C 13 173.696 0.300 . 1 . . . . 26 SER C . 11193 1 260 . 1 1 26 26 SER CA C 13 57.814 0.300 . 1 . . . . 26 SER CA . 11193 1 261 . 1 1 26 26 SER CB C 13 63.772 0.300 . 1 . . . . 26 SER CB . 11193 1 262 . 1 1 26 26 SER N N 15 116.438 0.300 . 1 . . . . 26 SER N . 11193 1 263 . 1 1 27 27 LEU H H 1 9.010 0.030 . 1 . . . . 27 LEU H . 11193 1 264 . 1 1 27 27 LEU HA H 1 4.854 0.030 . 1 . . . . 27 LEU HA . 11193 1 265 . 1 1 27 27 LEU HB2 H 1 1.598 0.030 . 1 . . . . 27 LEU HB2 . 11193 1 266 . 1 1 27 27 LEU HB3 H 1 1.598 0.030 . 1 . . . . 27 LEU HB3 . 11193 1 267 . 1 1 27 27 LEU HD11 H 1 0.752 0.030 . 1 . . . . 27 LEU HD1 . 11193 1 268 . 1 1 27 27 LEU HD12 H 1 0.752 0.030 . 1 . . . . 27 LEU HD1 . 11193 1 269 . 1 1 27 27 LEU HD13 H 1 0.752 0.030 . 1 . . . . 27 LEU HD1 . 11193 1 270 . 1 1 27 27 LEU HD21 H 1 0.761 0.030 . 1 . . . . 27 LEU HD2 . 11193 1 271 . 1 1 27 27 LEU HD22 H 1 0.761 0.030 . 1 . . . . 27 LEU HD2 . 11193 1 272 . 1 1 27 27 LEU HD23 H 1 0.761 0.030 . 1 . . . . 27 LEU HD2 . 11193 1 273 . 1 1 27 27 LEU HG H 1 1.555 0.030 . 1 . . . . 27 LEU HG . 11193 1 274 . 1 1 27 27 LEU C C 13 175.947 0.300 . 1 . . . . 27 LEU C . 11193 1 275 . 1 1 27 27 LEU CA C 13 53.164 0.300 . 1 . . . . 27 LEU CA . 11193 1 276 . 1 1 27 27 LEU CB C 13 47.735 0.300 . 1 . . . . 27 LEU CB . 11193 1 277 . 1 1 27 27 LEU CD1 C 13 26.054 0.300 . 2 . . . . 27 LEU CD1 . 11193 1 278 . 1 1 27 27 LEU CD2 C 13 23.089 0.300 . 2 . . . . 27 LEU CD2 . 11193 1 279 . 1 1 27 27 LEU CG C 13 25.913 0.300 . 1 . . . . 27 LEU CG . 11193 1 280 . 1 1 27 27 LEU N N 15 122.227 0.300 . 1 . . . . 27 LEU N . 11193 1 281 . 1 1 28 28 GLN H H 1 9.298 0.030 . 1 . . . . 28 GLN H . 11193 1 282 . 1 1 28 28 GLN HA H 1 4.741 0.030 . 1 . . . . 28 GLN HA . 11193 1 283 . 1 1 28 28 GLN HB2 H 1 1.889 0.030 . 2 . . . . 28 GLN HB2 . 11193 1 284 . 1 1 28 28 GLN HB3 H 1 2.018 0.030 . 2 . . . . 28 GLN HB3 . 11193 1 285 . 1 1 28 28 GLN HE21 H 1 6.746 0.030 . 2 . . . . 28 GLN HE21 . 11193 1 286 . 1 1 28 28 GLN HE22 H 1 7.577 0.030 . 2 . . . . 28 GLN HE22 . 11193 1 287 . 1 1 28 28 GLN HG2 H 1 2.356 0.030 . 2 . . . . 28 GLN HG2 . 11193 1 288 . 1 1 28 28 GLN HG3 H 1 2.318 0.030 . 2 . . . . 28 GLN HG3 . 11193 1 289 . 1 1 28 28 GLN C C 13 174.749 0.300 . 1 . . . . 28 GLN C . 11193 1 290 . 1 1 28 28 GLN CA C 13 53.185 0.300 . 1 . . . . 28 GLN CA . 11193 1 291 . 1 1 28 28 GLN CB C 13 30.977 0.300 . 1 . . . . 28 GLN CB . 11193 1 292 . 1 1 28 28 GLN CG C 13 33.929 0.300 . 1 . . . . 28 GLN CG . 11193 1 293 . 1 1 28 28 GLN N N 15 122.063 0.300 . 1 . . . . 28 GLN N . 11193 1 294 . 1 1 28 28 GLN NE2 N 15 112.034 0.300 . 1 . . . . 28 GLN NE2 . 11193 1 295 . 1 1 29 29 ALA H H 1 8.536 0.030 . 1 . . . . 29 ALA H . 11193 1 296 . 1 1 29 29 ALA HA H 1 3.586 0.030 . 1 . . . . 29 ALA HA . 11193 1 297 . 1 1 29 29 ALA HB1 H 1 1.235 0.030 . 1 . . . . 29 ALA HB . 11193 1 298 . 1 1 29 29 ALA HB2 H 1 1.235 0.030 . 1 . . . . 29 ALA HB . 11193 1 299 . 1 1 29 29 ALA HB3 H 1 1.235 0.030 . 1 . . . . 29 ALA HB . 11193 1 300 . 1 1 29 29 ALA C C 13 178.198 0.300 . 1 . . . . 29 ALA C . 11193 1 301 . 1 1 29 29 ALA CA C 13 53.351 0.300 . 1 . . . . 29 ALA CA . 11193 1 302 . 1 1 29 29 ALA CB C 13 17.684 0.300 . 1 . . . . 29 ALA CB . 11193 1 303 . 1 1 29 29 ALA N N 15 123.985 0.300 . 1 . . . . 29 ALA N . 11193 1 304 . 1 1 30 30 GLY H H 1 9.099 0.030 . 1 . . . . 30 GLY H . 11193 1 305 . 1 1 30 30 GLY HA2 H 1 4.404 0.030 . 2 . . . . 30 GLY HA2 . 11193 1 306 . 1 1 30 30 GLY HA3 H 1 3.509 0.030 . 2 . . . . 30 GLY HA3 . 11193 1 307 . 1 1 30 30 GLY C C 13 174.328 0.300 . 1 . . . . 30 GLY C . 11193 1 308 . 1 1 30 30 GLY CA C 13 44.743 0.300 . 1 . . . . 30 GLY CA . 11193 1 309 . 1 1 30 30 GLY N N 15 111.643 0.300 . 1 . . . . 30 GLY N . 11193 1 310 . 1 1 31 31 GLU H H 1 7.940 0.030 . 1 . . . . 31 GLU H . 11193 1 311 . 1 1 31 31 GLU HA H 1 4.386 0.030 . 1 . . . . 31 GLU HA . 11193 1 312 . 1 1 31 31 GLU HB2 H 1 2.308 0.030 . 2 . . . . 31 GLU HB2 . 11193 1 313 . 1 1 31 31 GLU HB3 H 1 1.987 0.030 . 2 . . . . 31 GLU HB3 . 11193 1 314 . 1 1 31 31 GLU HG2 H 1 2.319 0.030 . 2 . . . . 31 GLU HG2 . 11193 1 315 . 1 1 31 31 GLU HG3 H 1 2.407 0.030 . 2 . . . . 31 GLU HG3 . 11193 1 316 . 1 1 31 31 GLU C C 13 173.788 0.300 . 1 . . . . 31 GLU C . 11193 1 317 . 1 1 31 31 GLU CA C 13 56.848 0.300 . 1 . . . . 31 GLU CA . 11193 1 318 . 1 1 31 31 GLU CB C 13 30.665 0.300 . 1 . . . . 31 GLU CB . 11193 1 319 . 1 1 31 31 GLU CG C 13 37.119 0.300 . 1 . . . . 31 GLU CG . 11193 1 320 . 1 1 31 31 GLU N N 15 121.087 0.300 . 1 . . . . 31 GLU N . 11193 1 321 . 1 1 32 32 VAL H H 1 8.239 0.030 . 1 . . . . 32 VAL H . 11193 1 322 . 1 1 32 32 VAL HA H 1 4.931 0.030 . 1 . . . . 32 VAL HA . 11193 1 323 . 1 1 32 32 VAL HB H 1 1.918 0.030 . 1 . . . . 32 VAL HB . 11193 1 324 . 1 1 32 32 VAL HG11 H 1 0.867 0.030 . 1 . . . . 32 VAL HG1 . 11193 1 325 . 1 1 32 32 VAL HG12 H 1 0.867 0.030 . 1 . . . . 32 VAL HG1 . 11193 1 326 . 1 1 32 32 VAL HG13 H 1 0.867 0.030 . 1 . . . . 32 VAL HG1 . 11193 1 327 . 1 1 32 32 VAL HG21 H 1 0.959 0.030 . 1 . . . . 32 VAL HG2 . 11193 1 328 . 1 1 32 32 VAL HG22 H 1 0.959 0.030 . 1 . . . . 32 VAL HG2 . 11193 1 329 . 1 1 32 32 VAL HG23 H 1 0.959 0.030 . 1 . . . . 32 VAL HG2 . 11193 1 330 . 1 1 32 32 VAL C C 13 176.619 0.300 . 1 . . . . 32 VAL C . 11193 1 331 . 1 1 32 32 VAL CA C 13 61.156 0.300 . 1 . . . . 32 VAL CA . 11193 1 332 . 1 1 32 32 VAL CB C 13 33.109 0.300 . 1 . . . . 32 VAL CB . 11193 1 333 . 1 1 32 32 VAL CG1 C 13 21.542 0.300 . 2 . . . . 32 VAL CG1 . 11193 1 334 . 1 1 32 32 VAL CG2 C 13 21.275 0.300 . 2 . . . . 32 VAL CG2 . 11193 1 335 . 1 1 32 32 VAL N N 15 120.484 0.300 . 1 . . . . 32 VAL N . 11193 1 336 . 1 1 33 33 VAL H H 1 9.223 0.030 . 1 . . . . 33 VAL H . 11193 1 337 . 1 1 33 33 VAL HA H 1 4.976 0.030 . 1 . . . . 33 VAL HA . 11193 1 338 . 1 1 33 33 VAL HB H 1 1.991 0.030 . 1 . . . . 33 VAL HB . 11193 1 339 . 1 1 33 33 VAL HG11 H 1 0.691 0.030 . 1 . . . . 33 VAL HG1 . 11193 1 340 . 1 1 33 33 VAL HG12 H 1 0.691 0.030 . 1 . . . . 33 VAL HG1 . 11193 1 341 . 1 1 33 33 VAL HG13 H 1 0.691 0.030 . 1 . . . . 33 VAL HG1 . 11193 1 342 . 1 1 33 33 VAL HG21 H 1 0.718 0.030 . 1 . . . . 33 VAL HG2 . 11193 1 343 . 1 1 33 33 VAL HG22 H 1 0.718 0.030 . 1 . . . . 33 VAL HG2 . 11193 1 344 . 1 1 33 33 VAL HG23 H 1 0.718 0.030 . 1 . . . . 33 VAL HG2 . 11193 1 345 . 1 1 33 33 VAL C C 13 173.894 0.300 . 1 . . . . 33 VAL C . 11193 1 346 . 1 1 33 33 VAL CA C 13 57.978 0.300 . 1 . . . . 33 VAL CA . 11193 1 347 . 1 1 33 33 VAL CB C 13 34.607 0.300 . 1 . . . . 33 VAL CB . 11193 1 348 . 1 1 33 33 VAL CG1 C 13 21.907 0.300 . 2 . . . . 33 VAL CG1 . 11193 1 349 . 1 1 33 33 VAL CG2 C 13 19.174 0.300 . 2 . . . . 33 VAL CG2 . 11193 1 350 . 1 1 33 33 VAL N N 15 118.931 0.300 . 1 . . . . 33 VAL N . 11193 1 351 . 1 1 34 34 ASP H H 1 8.550 0.030 . 1 . . . . 34 ASP H . 11193 1 352 . 1 1 34 34 ASP HA H 1 5.262 0.030 . 1 . . . . 34 ASP HA . 11193 1 353 . 1 1 34 34 ASP HB2 H 1 2.606 0.030 . 2 . . . . 34 ASP HB2 . 11193 1 354 . 1 1 34 34 ASP HB3 H 1 2.422 0.030 . 2 . . . . 34 ASP HB3 . 11193 1 355 . 1 1 34 34 ASP C C 13 176.276 0.300 . 1 . . . . 34 ASP C . 11193 1 356 . 1 1 34 34 ASP CA C 13 52.793 0.300 . 1 . . . . 34 ASP CA . 11193 1 357 . 1 1 34 34 ASP CB C 13 42.411 0.300 . 1 . . . . 34 ASP CB . 11193 1 358 . 1 1 34 34 ASP N N 15 120.736 0.300 . 1 . . . . 34 ASP N . 11193 1 359 . 1 1 35 35 VAL H H 1 8.926 0.030 . 1 . . . . 35 VAL H . 11193 1 360 . 1 1 35 35 VAL HA H 1 3.971 0.030 . 1 . . . . 35 VAL HA . 11193 1 361 . 1 1 35 35 VAL HB H 1 1.900 0.030 . 1 . . . . 35 VAL HB . 11193 1 362 . 1 1 35 35 VAL HG11 H 1 0.324 0.030 . 1 . . . . 35 VAL HG1 . 11193 1 363 . 1 1 35 35 VAL HG12 H 1 0.324 0.030 . 1 . . . . 35 VAL HG1 . 11193 1 364 . 1 1 35 35 VAL HG13 H 1 0.324 0.030 . 1 . . . . 35 VAL HG1 . 11193 1 365 . 1 1 35 35 VAL HG21 H 1 0.811 0.030 . 1 . . . . 35 VAL HG2 . 11193 1 366 . 1 1 35 35 VAL HG22 H 1 0.811 0.030 . 1 . . . . 35 VAL HG2 . 11193 1 367 . 1 1 35 35 VAL HG23 H 1 0.811 0.030 . 1 . . . . 35 VAL HG2 . 11193 1 368 . 1 1 35 35 VAL C C 13 174.460 0.300 . 1 . . . . 35 VAL C . 11193 1 369 . 1 1 35 35 VAL CA C 13 63.352 0.300 . 1 . . . . 35 VAL CA . 11193 1 370 . 1 1 35 35 VAL CB C 13 31.641 0.300 . 1 . . . . 35 VAL CB . 11193 1 371 . 1 1 35 35 VAL CG1 C 13 21.929 0.300 . 2 . . . . 35 VAL CG1 . 11193 1 372 . 1 1 35 35 VAL CG2 C 13 22.786 0.300 . 2 . . . . 35 VAL CG2 . 11193 1 373 . 1 1 35 35 VAL N N 15 122.494 0.300 . 1 . . . . 35 VAL N . 11193 1 374 . 1 1 36 36 ILE H H 1 8.877 0.030 . 1 . . . . 36 ILE H . 11193 1 375 . 1 1 36 36 ILE HA H 1 4.006 0.030 . 1 . . . . 36 ILE HA . 11193 1 376 . 1 1 36 36 ILE HB H 1 1.673 0.030 . 1 . . . . 36 ILE HB . 11193 1 377 . 1 1 36 36 ILE HD11 H 1 0.637 0.030 . 1 . . . . 36 ILE HD1 . 11193 1 378 . 1 1 36 36 ILE HD12 H 1 0.637 0.030 . 1 . . . . 36 ILE HD1 . 11193 1 379 . 1 1 36 36 ILE HD13 H 1 0.637 0.030 . 1 . . . . 36 ILE HD1 . 11193 1 380 . 1 1 36 36 ILE HG12 H 1 1.015 0.030 . 2 . . . . 36 ILE HG12 . 11193 1 381 . 1 1 36 36 ILE HG13 H 1 1.418 0.030 . 2 . . . . 36 ILE HG13 . 11193 1 382 . 1 1 36 36 ILE HG21 H 1 0.954 0.030 . 1 . . . . 36 ILE HG2 . 11193 1 383 . 1 1 36 36 ILE HG22 H 1 0.954 0.030 . 1 . . . . 36 ILE HG2 . 11193 1 384 . 1 1 36 36 ILE HG23 H 1 0.954 0.030 . 1 . . . . 36 ILE HG2 . 11193 1 385 . 1 1 36 36 ILE C C 13 176.290 0.300 . 1 . . . . 36 ILE C . 11193 1 386 . 1 1 36 36 ILE CA C 13 62.666 0.300 . 1 . . . . 36 ILE CA . 11193 1 387 . 1 1 36 36 ILE CB C 13 38.636 0.300 . 1 . . . . 36 ILE CB . 11193 1 388 . 1 1 36 36 ILE CD1 C 13 13.022 0.300 . 1 . . . . 36 ILE CD1 . 11193 1 389 . 1 1 36 36 ILE CG1 C 13 28.164 0.300 . 1 . . . . 36 ILE CG1 . 11193 1 390 . 1 1 36 36 ILE CG2 C 13 17.198 0.300 . 1 . . . . 36 ILE CG2 . 11193 1 391 . 1 1 36 36 ILE N N 15 129.400 0.300 . 1 . . . . 36 ILE N . 11193 1 392 . 1 1 37 37 GLU H H 1 7.933 0.030 . 1 . . . . 37 GLU H . 11193 1 393 . 1 1 37 37 GLU HA H 1 4.507 0.030 . 1 . . . . 37 GLU HA . 11193 1 394 . 1 1 37 37 GLU HB2 H 1 1.930 0.030 . 1 . . . . 37 GLU HB2 . 11193 1 395 . 1 1 37 37 GLU HB3 H 1 1.930 0.030 . 1 . . . . 37 GLU HB3 . 11193 1 396 . 1 1 37 37 GLU HG2 H 1 2.096 0.030 . 2 . . . . 37 GLU HG2 . 11193 1 397 . 1 1 37 37 GLU HG3 H 1 2.270 0.030 . 2 . . . . 37 GLU HG3 . 11193 1 398 . 1 1 37 37 GLU C C 13 173.999 0.300 . 1 . . . . 37 GLU C . 11193 1 399 . 1 1 37 37 GLU CA C 13 55.447 0.300 . 1 . . . . 37 GLU CA . 11193 1 400 . 1 1 37 37 GLU CB C 13 33.685 0.300 . 1 . . . . 37 GLU CB . 11193 1 401 . 1 1 37 37 GLU CG C 13 36.169 0.300 . 1 . . . . 37 GLU CG . 11193 1 402 . 1 1 37 37 GLU N N 15 117.683 0.300 . 1 . . . . 37 GLU N . 11193 1 403 . 1 1 38 38 LYS H H 1 8.573 0.030 . 1 . . . . 38 LYS H . 11193 1 404 . 1 1 38 38 LYS HA H 1 3.728 0.030 . 1 . . . . 38 LYS HA . 11193 1 405 . 1 1 38 38 LYS HB2 H 1 1.293 0.030 . 2 . . . . 38 LYS HB2 . 11193 1 406 . 1 1 38 38 LYS HB3 H 1 0.989 0.030 . 2 . . . . 38 LYS HB3 . 11193 1 407 . 1 1 38 38 LYS HD2 H 1 1.068 0.030 . 2 . . . . 38 LYS HD2 . 11193 1 408 . 1 1 38 38 LYS HD3 H 1 0.942 0.030 . 2 . . . . 38 LYS HD3 . 11193 1 409 . 1 1 38 38 LYS HE2 H 1 1.678 0.030 . 2 . . . . 38 LYS HE2 . 11193 1 410 . 1 1 38 38 LYS HE3 H 1 2.270 0.030 . 2 . . . . 38 LYS HE3 . 11193 1 411 . 1 1 38 38 LYS HG2 H 1 -1.276 0.030 . 2 . . . . 38 LYS HG2 . 11193 1 412 . 1 1 38 38 LYS HG3 H 1 0.341 0.030 . 2 . . . . 38 LYS HG3 . 11193 1 413 . 1 1 38 38 LYS C C 13 175.118 0.300 . 1 . . . . 38 LYS C . 11193 1 414 . 1 1 38 38 LYS CA C 13 54.613 0.300 . 1 . . . . 38 LYS CA . 11193 1 415 . 1 1 38 38 LYS CB C 13 33.337 0.300 . 1 . . . . 38 LYS CB . 11193 1 416 . 1 1 38 38 LYS CD C 13 29.918 0.300 . 1 . . . . 38 LYS CD . 11193 1 417 . 1 1 38 38 LYS CE C 13 41.323 0.300 . 1 . . . . 38 LYS CE . 11193 1 418 . 1 1 38 38 LYS CG C 13 23.870 0.300 . 1 . . . . 38 LYS CG . 11193 1 419 . 1 1 38 38 LYS N N 15 125.801 0.300 . 1 . . . . 38 LYS N . 11193 1 420 . 1 1 39 39 ASN H H 1 7.596 0.030 . 1 . . . . 39 ASN H . 11193 1 421 . 1 1 39 39 ASN HA H 1 5.073 0.030 . 1 . . . . 39 ASN HA . 11193 1 422 . 1 1 39 39 ASN HB2 H 1 3.113 0.030 . 2 . . . . 39 ASN HB2 . 11193 1 423 . 1 1 39 39 ASN HB3 H 1 3.758 0.030 . 2 . . . . 39 ASN HB3 . 11193 1 424 . 1 1 39 39 ASN HD21 H 1 8.038 0.030 . 2 . . . . 39 ASN HD21 . 11193 1 425 . 1 1 39 39 ASN HD22 H 1 7.109 0.030 . 2 . . . . 39 ASN HD22 . 11193 1 426 . 1 1 39 39 ASN C C 13 176.421 0.300 . 1 . . . . 39 ASN C . 11193 1 427 . 1 1 39 39 ASN CA C 13 53.530 0.300 . 1 . . . . 39 ASN CA . 11193 1 428 . 1 1 39 39 ASN CB C 13 41.632 0.300 . 1 . . . . 39 ASN CB . 11193 1 429 . 1 1 39 39 ASN N N 15 121.254 0.300 . 1 . . . . 39 ASN N . 11193 1 430 . 1 1 39 39 ASN ND2 N 15 114.625 0.300 . 1 . . . . 39 ASN ND2 . 11193 1 431 . 1 1 40 40 GLU H H 1 9.349 0.030 . 1 . . . . 40 GLU H . 11193 1 432 . 1 1 40 40 GLU HA H 1 4.302 0.030 . 1 . . . . 40 GLU HA . 11193 1 433 . 1 1 40 40 GLU HB2 H 1 2.234 0.030 . 2 . . . . 40 GLU HB2 . 11193 1 434 . 1 1 40 40 GLU HB3 H 1 2.149 0.030 . 2 . . . . 40 GLU HB3 . 11193 1 435 . 1 1 40 40 GLU HG2 H 1 2.413 0.030 . 1 . . . . 40 GLU HG2 . 11193 1 436 . 1 1 40 40 GLU HG3 H 1 2.413 0.030 . 1 . . . . 40 GLU HG3 . 11193 1 437 . 1 1 40 40 GLU C C 13 176.592 0.300 . 1 . . . . 40 GLU C . 11193 1 438 . 1 1 40 40 GLU CA C 13 58.415 0.300 . 1 . . . . 40 GLU CA . 11193 1 439 . 1 1 40 40 GLU CB C 13 29.110 0.300 . 1 . . . . 40 GLU CB . 11193 1 440 . 1 1 40 40 GLU CG C 13 35.967 0.300 . 1 . . . . 40 GLU CG . 11193 1 441 . 1 1 40 40 GLU N N 15 126.548 0.300 . 1 . . . . 40 GLU N . 11193 1 442 . 1 1 41 41 SER H H 1 9.285 0.030 . 1 . . . . 41 SER H . 11193 1 443 . 1 1 41 41 SER HA H 1 4.403 0.030 . 1 . . . . 41 SER HA . 11193 1 444 . 1 1 41 41 SER HB2 H 1 4.076 0.030 . 2 . . . . 41 SER HB2 . 11193 1 445 . 1 1 41 41 SER HB3 H 1 4.176 0.030 . 2 . . . . 41 SER HB3 . 11193 1 446 . 1 1 41 41 SER C C 13 175.605 0.300 . 1 . . . . 41 SER C . 11193 1 447 . 1 1 41 41 SER CA C 13 59.409 0.300 . 1 . . . . 41 SER CA . 11193 1 448 . 1 1 41 41 SER CB C 13 63.785 0.300 . 1 . . . . 41 SER CB . 11193 1 449 . 1 1 41 41 SER N N 15 116.816 0.300 . 1 . . . . 41 SER N . 11193 1 450 . 1 1 42 42 GLY H H 1 8.321 0.030 . 1 . . . . 42 GLY H . 11193 1 451 . 1 1 42 42 GLY HA2 H 1 3.713 0.030 . 2 . . . . 42 GLY HA2 . 11193 1 452 . 1 1 42 42 GLY HA3 H 1 4.434 0.030 . 2 . . . . 42 GLY HA3 . 11193 1 453 . 1 1 42 42 GLY C C 13 172.985 0.300 . 1 . . . . 42 GLY C . 11193 1 454 . 1 1 42 42 GLY CA C 13 44.900 0.300 . 1 . . . . 42 GLY CA . 11193 1 455 . 1 1 42 42 GLY N N 15 108.439 0.300 . 1 . . . . 42 GLY N . 11193 1 456 . 1 1 43 43 TRP H H 1 8.195 0.030 . 1 . . . . 43 TRP H . 11193 1 457 . 1 1 43 43 TRP HA H 1 5.007 0.030 . 1 . . . . 43 TRP HA . 11193 1 458 . 1 1 43 43 TRP HB2 H 1 2.964 0.030 . 2 . . . . 43 TRP HB2 . 11193 1 459 . 1 1 43 43 TRP HB3 H 1 3.288 0.030 . 2 . . . . 43 TRP HB3 . 11193 1 460 . 1 1 43 43 TRP HD1 H 1 6.963 0.030 . 1 . . . . 43 TRP HD1 . 11193 1 461 . 1 1 43 43 TRP HE1 H 1 10.103 0.030 . 1 . . . . 43 TRP HE1 . 11193 1 462 . 1 1 43 43 TRP HE3 H 1 7.341 0.030 . 1 . . . . 43 TRP HE3 . 11193 1 463 . 1 1 43 43 TRP HH2 H 1 7.314 0.030 . 1 . . . . 43 TRP HH2 . 11193 1 464 . 1 1 43 43 TRP HZ2 H 1 7.474 0.030 . 1 . . . . 43 TRP HZ2 . 11193 1 465 . 1 1 43 43 TRP HZ3 H 1 6.936 0.030 . 1 . . . . 43 TRP HZ3 . 11193 1 466 . 1 1 43 43 TRP C C 13 174.262 0.300 . 1 . . . . 43 TRP C . 11193 1 467 . 1 1 43 43 TRP CA C 13 56.825 0.300 . 1 . . . . 43 TRP CA . 11193 1 468 . 1 1 43 43 TRP CB C 13 30.106 0.300 . 1 . . . . 43 TRP CB . 11193 1 469 . 1 1 43 43 TRP CD1 C 13 126.178 0.300 . 1 . . . . 43 TRP CD1 . 11193 1 470 . 1 1 43 43 TRP CE3 C 13 119.192 0.300 . 1 . . . . 43 TRP CE3 . 11193 1 471 . 1 1 43 43 TRP CH2 C 13 125.635 0.300 . 1 . . . . 43 TRP CH2 . 11193 1 472 . 1 1 43 43 TRP CZ2 C 13 114.391 0.300 . 1 . . . . 43 TRP CZ2 . 11193 1 473 . 1 1 43 43 TRP CZ3 C 13 121.291 0.300 . 1 . . . . 43 TRP CZ3 . 11193 1 474 . 1 1 43 43 TRP N N 15 123.391 0.300 . 1 . . . . 43 TRP N . 11193 1 475 . 1 1 43 43 TRP NE1 N 15 129.505 0.300 . 1 . . . . 43 TRP NE1 . 11193 1 476 . 1 1 44 44 TRP H H 1 9.799 0.030 . 1 . . . . 44 TRP H . 11193 1 477 . 1 1 44 44 TRP HA H 1 5.846 0.030 . 1 . . . . 44 TRP HA . 11193 1 478 . 1 1 44 44 TRP HB2 H 1 2.874 0.030 . 2 . . . . 44 TRP HB2 . 11193 1 479 . 1 1 44 44 TRP HB3 H 1 2.977 0.030 . 2 . . . . 44 TRP HB3 . 11193 1 480 . 1 1 44 44 TRP HD1 H 1 7.305 0.030 . 1 . . . . 44 TRP HD1 . 11193 1 481 . 1 1 44 44 TRP HE1 H 1 10.286 0.030 . 1 . . . . 44 TRP HE1 . 11193 1 482 . 1 1 44 44 TRP HE3 H 1 6.742 0.030 . 1 . . . . 44 TRP HE3 . 11193 1 483 . 1 1 44 44 TRP HH2 H 1 6.970 0.030 . 1 . . . . 44 TRP HH2 . 11193 1 484 . 1 1 44 44 TRP HZ2 H 1 7.374 0.030 . 1 . . . . 44 TRP HZ2 . 11193 1 485 . 1 1 44 44 TRP HZ3 H 1 5.400 0.030 . 1 . . . . 44 TRP HZ3 . 11193 1 486 . 1 1 44 44 TRP C C 13 173.578 0.300 . 1 . . . . 44 TRP C . 11193 1 487 . 1 1 44 44 TRP CA C 13 53.115 0.300 . 1 . . . . 44 TRP CA . 11193 1 488 . 1 1 44 44 TRP CB C 13 32.252 0.300 . 1 . . . . 44 TRP CB . 11193 1 489 . 1 1 44 44 TRP CD1 C 13 121.934 0.300 . 1 . . . . 44 TRP CD1 . 11193 1 490 . 1 1 44 44 TRP CE3 C 13 121.153 0.300 . 1 . . . . 44 TRP CE3 . 11193 1 491 . 1 1 44 44 TRP CH2 C 13 124.664 0.300 . 1 . . . . 44 TRP CH2 . 11193 1 492 . 1 1 44 44 TRP CZ2 C 13 113.974 0.300 . 1 . . . . 44 TRP CZ2 . 11193 1 493 . 1 1 44 44 TRP CZ3 C 13 120.897 0.300 . 1 . . . . 44 TRP CZ3 . 11193 1 494 . 1 1 44 44 TRP N N 15 123.559 0.300 . 1 . . . . 44 TRP N . 11193 1 495 . 1 1 44 44 TRP NE1 N 15 127.692 0.300 . 1 . . . . 44 TRP NE1 . 11193 1 496 . 1 1 45 45 PHE H H 1 9.049 0.030 . 1 . . . . 45 PHE H . 11193 1 497 . 1 1 45 45 PHE HA H 1 4.375 0.030 . 1 . . . . 45 PHE HA . 11193 1 498 . 1 1 45 45 PHE HB2 H 1 0.771 0.030 . 2 . . . . 45 PHE HB2 . 11193 1 499 . 1 1 45 45 PHE HB3 H 1 2.326 0.030 . 2 . . . . 45 PHE HB3 . 11193 1 500 . 1 1 45 45 PHE HD1 H 1 5.723 0.030 . 1 . . . . 45 PHE HD1 . 11193 1 501 . 1 1 45 45 PHE HD2 H 1 5.723 0.030 . 1 . . . . 45 PHE HD2 . 11193 1 502 . 1 1 45 45 PHE HE1 H 1 7.071 0.030 . 1 . . . . 45 PHE HE1 . 11193 1 503 . 1 1 45 45 PHE HE2 H 1 7.071 0.030 . 1 . . . . 45 PHE HE2 . 11193 1 504 . 1 1 45 45 PHE HZ H 1 7.094 0.030 . 1 . . . . 45 PHE HZ . 11193 1 505 . 1 1 45 45 PHE C C 13 175.078 0.300 . 1 . . . . 45 PHE C . 11193 1 506 . 1 1 45 45 PHE CA C 13 56.417 0.300 . 1 . . . . 45 PHE CA . 11193 1 507 . 1 1 45 45 PHE CB C 13 39.217 0.300 . 1 . . . . 45 PHE CB . 11193 1 508 . 1 1 45 45 PHE CD1 C 13 130.625 0.300 . 1 . . . . 45 PHE CD1 . 11193 1 509 . 1 1 45 45 PHE CD2 C 13 130.625 0.300 . 1 . . . . 45 PHE CD2 . 11193 1 510 . 1 1 45 45 PHE CE1 C 13 130.555 0.300 . 1 . . . . 45 PHE CE1 . 11193 1 511 . 1 1 45 45 PHE CE2 C 13 130.555 0.300 . 1 . . . . 45 PHE CE2 . 11193 1 512 . 1 1 45 45 PHE CZ C 13 129.202 0.300 . 1 . . . . 45 PHE CZ . 11193 1 513 . 1 1 45 45 PHE N N 15 126.724 0.300 . 1 . . . . 45 PHE N . 11193 1 514 . 1 1 46 46 VAL H H 1 8.674 0.030 . 1 . . . . 46 VAL H . 11193 1 515 . 1 1 46 46 VAL HA H 1 5.239 0.030 . 1 . . . . 46 VAL HA . 11193 1 516 . 1 1 46 46 VAL HB H 1 2.096 0.030 . 1 . . . . 46 VAL HB . 11193 1 517 . 1 1 46 46 VAL HG11 H 1 0.876 0.030 . 1 . . . . 46 VAL HG1 . 11193 1 518 . 1 1 46 46 VAL HG12 H 1 0.876 0.030 . 1 . . . . 46 VAL HG1 . 11193 1 519 . 1 1 46 46 VAL HG13 H 1 0.876 0.030 . 1 . . . . 46 VAL HG1 . 11193 1 520 . 1 1 46 46 VAL HG21 H 1 0.700 0.030 . 1 . . . . 46 VAL HG2 . 11193 1 521 . 1 1 46 46 VAL HG22 H 1 0.700 0.030 . 1 . . . . 46 VAL HG2 . 11193 1 522 . 1 1 46 46 VAL HG23 H 1 0.700 0.030 . 1 . . . . 46 VAL HG2 . 11193 1 523 . 1 1 46 46 VAL C C 13 172.696 0.300 . 1 . . . . 46 VAL C . 11193 1 524 . 1 1 46 46 VAL CA C 13 58.090 0.300 . 1 . . . . 46 VAL CA . 11193 1 525 . 1 1 46 46 VAL CB C 13 35.341 0.300 . 1 . . . . 46 VAL CB . 11193 1 526 . 1 1 46 46 VAL CG1 C 13 21.675 0.300 . 2 . . . . 46 VAL CG1 . 11193 1 527 . 1 1 46 46 VAL CG2 C 13 18.999 0.300 . 2 . . . . 46 VAL CG2 . 11193 1 528 . 1 1 46 46 VAL N N 15 121.031 0.300 . 1 . . . . 46 VAL N . 11193 1 529 . 1 1 47 47 SER H H 1 9.024 0.030 . 1 . . . . 47 SER H . 11193 1 530 . 1 1 47 47 SER HA H 1 5.391 0.030 . 1 . . . . 47 SER HA . 11193 1 531 . 1 1 47 47 SER HB2 H 1 3.715 0.030 . 2 . . . . 47 SER HB2 . 11193 1 532 . 1 1 47 47 SER HB3 H 1 3.753 0.030 . 2 . . . . 47 SER HB3 . 11193 1 533 . 1 1 47 47 SER C C 13 175.250 0.300 . 1 . . . . 47 SER C . 11193 1 534 . 1 1 47 47 SER CA C 13 55.719 0.300 . 1 . . . . 47 SER CA . 11193 1 535 . 1 1 47 47 SER CB C 13 66.371 0.300 . 1 . . . . 47 SER CB . 11193 1 536 . 1 1 47 47 SER N N 15 110.896 0.300 . 1 . . . . 47 SER N . 11193 1 537 . 1 1 48 48 THR H H 1 8.915 0.030 . 1 . . . . 48 THR H . 11193 1 538 . 1 1 48 48 THR HA H 1 4.955 0.030 . 1 . . . . 48 THR HA . 11193 1 539 . 1 1 48 48 THR HB H 1 4.850 0.030 . 1 . . . . 48 THR HB . 11193 1 540 . 1 1 48 48 THR HG21 H 1 1.217 0.030 . 1 . . . . 48 THR HG2 . 11193 1 541 . 1 1 48 48 THR HG22 H 1 1.217 0.030 . 1 . . . . 48 THR HG2 . 11193 1 542 . 1 1 48 48 THR HG23 H 1 1.217 0.030 . 1 . . . . 48 THR HG2 . 11193 1 543 . 1 1 48 48 THR C C 13 175.105 0.300 . 1 . . . . 48 THR C . 11193 1 544 . 1 1 48 48 THR CA C 13 60.025 0.300 . 1 . . . . 48 THR CA . 11193 1 545 . 1 1 48 48 THR CB C 13 70.521 0.300 . 1 . . . . 48 THR CB . 11193 1 546 . 1 1 48 48 THR CG2 C 13 22.004 0.300 . 1 . . . . 48 THR CG2 . 11193 1 547 . 1 1 48 48 THR N N 15 116.283 0.300 . 1 . . . . 48 THR N . 11193 1 548 . 1 1 49 49 SER H H 1 8.842 0.030 . 1 . . . . 49 SER H . 11193 1 549 . 1 1 49 49 SER HA H 1 4.233 0.030 . 1 . . . . 49 SER HA . 11193 1 550 . 1 1 49 49 SER HB2 H 1 4.050 0.030 . 1 . . . . 49 SER HB2 . 11193 1 551 . 1 1 49 49 SER HB3 H 1 4.050 0.030 . 1 . . . . 49 SER HB3 . 11193 1 552 . 1 1 49 49 SER C C 13 175.065 0.300 . 1 . . . . 49 SER C . 11193 1 553 . 1 1 49 49 SER CA C 13 61.364 0.300 . 1 . . . . 49 SER CA . 11193 1 554 . 1 1 49 49 SER CB C 13 62.562 0.300 . 1 . . . . 49 SER CB . 11193 1 555 . 1 1 49 49 SER N N 15 114.611 0.300 . 1 . . . . 49 SER N . 11193 1 556 . 1 1 50 50 GLU H H 1 8.019 0.030 . 1 . . . . 50 GLU H . 11193 1 557 . 1 1 50 50 GLU HA H 1 4.509 0.030 . 1 . . . . 50 GLU HA . 11193 1 558 . 1 1 50 50 GLU HB2 H 1 2.159 0.030 . 2 . . . . 50 GLU HB2 . 11193 1 559 . 1 1 50 50 GLU HB3 H 1 1.868 0.030 . 2 . . . . 50 GLU HB3 . 11193 1 560 . 1 1 50 50 GLU HG2 H 1 2.211 0.030 . 1 . . . . 50 GLU HG2 . 11193 1 561 . 1 1 50 50 GLU HG3 H 1 2.211 0.030 . 1 . . . . 50 GLU HG3 . 11193 1 562 . 1 1 50 50 GLU C C 13 175.631 0.300 . 1 . . . . 50 GLU C . 11193 1 563 . 1 1 50 50 GLU CA C 13 56.706 0.300 . 1 . . . . 50 GLU CA . 11193 1 564 . 1 1 50 50 GLU CB C 13 32.707 0.300 . 1 . . . . 50 GLU CB . 11193 1 565 . 1 1 50 50 GLU CG C 13 36.178 0.300 . 1 . . . . 50 GLU CG . 11193 1 566 . 1 1 50 50 GLU N N 15 116.195 0.300 . 1 . . . . 50 GLU N . 11193 1 567 . 1 1 51 51 GLU H H 1 7.758 0.030 . 1 . . . . 51 GLU H . 11193 1 568 . 1 1 51 51 GLU HA H 1 4.715 0.030 . 1 . . . . 51 GLU HA . 11193 1 569 . 1 1 51 51 GLU HB2 H 1 2.064 0.030 . 2 . . . . 51 GLU HB2 . 11193 1 570 . 1 1 51 51 GLU HB3 H 1 1.824 0.030 . 2 . . . . 51 GLU HB3 . 11193 1 571 . 1 1 51 51 GLU HG2 H 1 2.168 0.030 . 1 . . . . 51 GLU HG2 . 11193 1 572 . 1 1 51 51 GLU HG3 H 1 2.168 0.030 . 1 . . . . 51 GLU HG3 . 11193 1 573 . 1 1 51 51 GLU C C 13 173.459 0.300 . 1 . . . . 51 GLU C . 11193 1 574 . 1 1 51 51 GLU CA C 13 54.950 0.300 . 1 . . . . 51 GLU CA . 11193 1 575 . 1 1 51 51 GLU CB C 13 34.713 0.300 . 1 . . . . 51 GLU CB . 11193 1 576 . 1 1 51 51 GLU CG C 13 36.419 0.300 . 1 . . . . 51 GLU CG . 11193 1 577 . 1 1 51 51 GLU N N 15 117.967 0.300 . 1 . . . . 51 GLU N . 11193 1 578 . 1 1 52 52 GLN H H 1 8.260 0.030 . 1 . . . . 52 GLN H . 11193 1 579 . 1 1 52 52 GLN HA H 1 5.372 0.030 . 1 . . . . 52 GLN HA . 11193 1 580 . 1 1 52 52 GLN HB2 H 1 1.743 0.030 . 1 . . . . 52 GLN HB2 . 11193 1 581 . 1 1 52 52 GLN HB3 H 1 1.743 0.030 . 1 . . . . 52 GLN HB3 . 11193 1 582 . 1 1 52 52 GLN HE21 H 1 7.302 0.030 . 2 . . . . 52 GLN HE21 . 11193 1 583 . 1 1 52 52 GLN HE22 H 1 6.736 0.030 . 2 . . . . 52 GLN HE22 . 11193 1 584 . 1 1 52 52 GLN HG2 H 1 2.239 0.030 . 1 . . . . 52 GLN HG2 . 11193 1 585 . 1 1 52 52 GLN HG3 H 1 2.239 0.030 . 1 . . . . 52 GLN HG3 . 11193 1 586 . 1 1 52 52 GLN C C 13 175.052 0.300 . 1 . . . . 52 GLN C . 11193 1 587 . 1 1 52 52 GLN CA C 13 53.876 0.300 . 1 . . . . 52 GLN CA . 11193 1 588 . 1 1 52 52 GLN CB C 13 31.616 0.300 . 1 . . . . 52 GLN CB . 11193 1 589 . 1 1 52 52 GLN CG C 13 33.092 0.300 . 1 . . . . 52 GLN CG . 11193 1 590 . 1 1 52 52 GLN N N 15 115.757 0.300 . 1 . . . . 52 GLN N . 11193 1 591 . 1 1 52 52 GLN NE2 N 15 110.672 0.300 . 1 . . . . 52 GLN NE2 . 11193 1 592 . 1 1 53 53 GLY H H 1 8.147 0.030 . 1 . . . . 53 GLY H . 11193 1 593 . 1 1 53 53 GLY HA2 H 1 3.968 0.030 . 2 . . . . 53 GLY HA2 . 11193 1 594 . 1 1 53 53 GLY HA3 H 1 3.915 0.030 . 2 . . . . 53 GLY HA3 . 11193 1 595 . 1 1 53 53 GLY C C 13 169.957 0.300 . 1 . . . . 53 GLY C . 11193 1 596 . 1 1 53 53 GLY CA C 13 45.698 0.300 . 1 . . . . 53 GLY CA . 11193 1 597 . 1 1 53 53 GLY N N 15 107.657 0.300 . 1 . . . . 53 GLY N . 11193 1 598 . 1 1 54 54 TRP H H 1 8.576 0.030 . 1 . . . . 54 TRP H . 11193 1 599 . 1 1 54 54 TRP HA H 1 5.662 0.030 . 1 . . . . 54 TRP HA . 11193 1 600 . 1 1 54 54 TRP HB2 H 1 3.105 0.030 . 2 . . . . 54 TRP HB2 . 11193 1 601 . 1 1 54 54 TRP HB3 H 1 3.434 0.030 . 2 . . . . 54 TRP HB3 . 11193 1 602 . 1 1 54 54 TRP HD1 H 1 7.526 0.030 . 1 . . . . 54 TRP HD1 . 11193 1 603 . 1 1 54 54 TRP HE1 H 1 10.238 0.030 . 1 . . . . 54 TRP HE1 . 11193 1 604 . 1 1 54 54 TRP HE3 H 1 7.581 0.030 . 1 . . . . 54 TRP HE3 . 11193 1 605 . 1 1 54 54 TRP HH2 H 1 7.197 0.030 . 1 . . . . 54 TRP HH2 . 11193 1 606 . 1 1 54 54 TRP HZ2 H 1 7.282 0.030 . 1 . . . . 54 TRP HZ2 . 11193 1 607 . 1 1 54 54 TRP HZ3 H 1 7.250 0.030 . 1 . . . . 54 TRP HZ3 . 11193 1 608 . 1 1 54 54 TRP C C 13 176.540 0.300 . 1 . . . . 54 TRP C . 11193 1 609 . 1 1 54 54 TRP CA C 13 56.934 0.300 . 1 . . . . 54 TRP CA . 11193 1 610 . 1 1 54 54 TRP CB C 13 31.311 0.300 . 1 . . . . 54 TRP CB . 11193 1 611 . 1 1 54 54 TRP CD1 C 13 127.881 0.300 . 1 . . . . 54 TRP CD1 . 11193 1 612 . 1 1 54 54 TRP CE3 C 13 120.312 0.300 . 1 . . . . 54 TRP CE3 . 11193 1 613 . 1 1 54 54 TRP CH2 C 13 124.068 0.300 . 1 . . . . 54 TRP CH2 . 11193 1 614 . 1 1 54 54 TRP CZ2 C 13 115.011 0.300 . 1 . . . . 54 TRP CZ2 . 11193 1 615 . 1 1 54 54 TRP CZ3 C 13 122.184 0.300 . 1 . . . . 54 TRP CZ3 . 11193 1 616 . 1 1 54 54 TRP N N 15 120.439 0.300 . 1 . . . . 54 TRP N . 11193 1 617 . 1 1 54 54 TRP NE1 N 15 130.517 0.300 . 1 . . . . 54 TRP NE1 . 11193 1 618 . 1 1 55 55 VAL H H 1 9.637 0.030 . 1 . . . . 55 VAL H . 11193 1 619 . 1 1 55 55 VAL HA H 1 4.906 0.030 . 1 . . . . 55 VAL HA . 11193 1 620 . 1 1 55 55 VAL HB H 1 1.747 0.030 . 1 . . . . 55 VAL HB . 11193 1 621 . 1 1 55 55 VAL HG11 H 1 0.896 0.030 . 1 . . . . 55 VAL HG1 . 11193 1 622 . 1 1 55 55 VAL HG12 H 1 0.896 0.030 . 1 . . . . 55 VAL HG1 . 11193 1 623 . 1 1 55 55 VAL HG13 H 1 0.896 0.030 . 1 . . . . 55 VAL HG1 . 11193 1 624 . 1 1 55 55 VAL HG21 H 1 0.638 0.030 . 1 . . . . 55 VAL HG2 . 11193 1 625 . 1 1 55 55 VAL HG22 H 1 0.638 0.030 . 1 . . . . 55 VAL HG2 . 11193 1 626 . 1 1 55 55 VAL HG23 H 1 0.638 0.030 . 1 . . . . 55 VAL HG2 . 11193 1 627 . 1 1 55 55 VAL C C 13 171.853 0.300 . 1 . . . . 55 VAL C . 11193 1 628 . 1 1 55 55 VAL CA C 13 57.808 0.300 . 1 . . . . 55 VAL CA . 11193 1 629 . 1 1 55 55 VAL CB C 13 34.919 0.300 . 1 . . . . 55 VAL CB . 11193 1 630 . 1 1 55 55 VAL CG1 C 13 22.264 0.300 . 2 . . . . 55 VAL CG1 . 11193 1 631 . 1 1 55 55 VAL CG2 C 13 19.874 0.300 . 2 . . . . 55 VAL CG2 . 11193 1 632 . 1 1 55 55 VAL N N 15 115.242 0.300 . 1 . . . . 55 VAL N . 11193 1 633 . 1 1 56 56 PRO HA H 1 3.757 0.030 . 1 . . . . 56 PRO HA . 11193 1 634 . 1 1 56 56 PRO HB2 H 1 1.392 0.030 . 1 . . . . 56 PRO HB2 . 11193 1 635 . 1 1 56 56 PRO HB3 H 1 1.392 0.030 . 1 . . . . 56 PRO HB3 . 11193 1 636 . 1 1 56 56 PRO HD2 H 1 2.789 0.030 . 2 . . . . 56 PRO HD2 . 11193 1 637 . 1 1 56 56 PRO HD3 H 1 2.209 0.030 . 2 . . . . 56 PRO HD3 . 11193 1 638 . 1 1 56 56 PRO HG2 H 1 1.185 0.030 . 2 . . . . 56 PRO HG2 . 11193 1 639 . 1 1 56 56 PRO HG3 H 1 0.341 0.030 . 2 . . . . 56 PRO HG3 . 11193 1 640 . 1 1 56 56 PRO C C 13 177.804 0.300 . 1 . . . . 56 PRO C . 11193 1 641 . 1 1 56 56 PRO CA C 13 61.473 0.300 . 1 . . . . 56 PRO CA . 11193 1 642 . 1 1 56 56 PRO CB C 13 30.012 0.300 . 1 . . . . 56 PRO CB . 11193 1 643 . 1 1 56 56 PRO CD C 13 50.180 0.300 . 1 . . . . 56 PRO CD . 11193 1 644 . 1 1 56 56 PRO CG C 13 27.110 0.300 . 1 . . . . 56 PRO CG . 11193 1 645 . 1 1 57 57 ALA H H 1 8.027 0.030 . 1 . . . . 57 ALA H . 11193 1 646 . 1 1 57 57 ALA HA H 1 2.669 0.030 . 1 . . . . 57 ALA HA . 11193 1 647 . 1 1 57 57 ALA HB1 H 1 -0.170 0.030 . 1 . . . . 57 ALA HB . 11193 1 648 . 1 1 57 57 ALA HB2 H 1 -0.170 0.030 . 1 . . . . 57 ALA HB . 11193 1 649 . 1 1 57 57 ALA HB3 H 1 -0.170 0.030 . 1 . . . . 57 ALA HB . 11193 1 650 . 1 1 57 57 ALA C C 13 178.370 0.300 . 1 . . . . 57 ALA C . 11193 1 651 . 1 1 57 57 ALA CA C 13 54.337 0.300 . 1 . . . . 57 ALA CA . 11193 1 652 . 1 1 57 57 ALA CB C 13 15.633 0.300 . 1 . . . . 57 ALA CB . 11193 1 653 . 1 1 57 57 ALA N N 15 126.339 0.300 . 1 . . . . 57 ALA N . 11193 1 654 . 1 1 58 58 THR H H 1 7.037 0.030 . 1 . . . . 58 THR H . 11193 1 655 . 1 1 58 58 THR HA H 1 3.876 0.030 . 1 . . . . 58 THR HA . 11193 1 656 . 1 1 58 58 THR HB H 1 4.042 0.030 . 1 . . . . 58 THR HB . 11193 1 657 . 1 1 58 58 THR HG21 H 1 1.056 0.030 . 1 . . . . 58 THR HG2 . 11193 1 658 . 1 1 58 58 THR HG22 H 1 1.056 0.030 . 1 . . . . 58 THR HG2 . 11193 1 659 . 1 1 58 58 THR HG23 H 1 1.056 0.030 . 1 . . . . 58 THR HG2 . 11193 1 660 . 1 1 58 58 THR C C 13 175.513 0.300 . 1 . . . . 58 THR C . 11193 1 661 . 1 1 58 58 THR CA C 13 62.887 0.300 . 1 . . . . 58 THR CA . 11193 1 662 . 1 1 58 58 THR CB C 13 68.382 0.300 . 1 . . . . 58 THR CB . 11193 1 663 . 1 1 58 58 THR CG2 C 13 21.692 0.300 . 1 . . . . 58 THR CG2 . 11193 1 664 . 1 1 58 58 THR N N 15 104.238 0.300 . 1 . . . . 58 THR N . 11193 1 665 . 1 1 59 59 TYR H H 1 7.431 0.030 . 1 . . . . 59 TYR H . 11193 1 666 . 1 1 59 59 TYR HA H 1 4.132 0.030 . 1 . . . . 59 TYR HA . 11193 1 667 . 1 1 59 59 TYR HB2 H 1 2.586 0.030 . 2 . . . . 59 TYR HB2 . 11193 1 668 . 1 1 59 59 TYR HB3 H 1 3.317 0.030 . 2 . . . . 59 TYR HB3 . 11193 1 669 . 1 1 59 59 TYR HD1 H 1 7.046 0.030 . 1 . . . . 59 TYR HD1 . 11193 1 670 . 1 1 59 59 TYR HD2 H 1 7.046 0.030 . 1 . . . . 59 TYR HD2 . 11193 1 671 . 1 1 59 59 TYR HE1 H 1 6.766 0.030 . 1 . . . . 59 TYR HE1 . 11193 1 672 . 1 1 59 59 TYR HE2 H 1 6.766 0.030 . 1 . . . . 59 TYR HE2 . 11193 1 673 . 1 1 59 59 TYR C C 13 173.341 0.300 . 1 . . . . 59 TYR C . 11193 1 674 . 1 1 59 59 TYR CA C 13 59.529 0.300 . 1 . . . . 59 TYR CA . 11193 1 675 . 1 1 59 59 TYR CB C 13 36.926 0.300 . 1 . . . . 59 TYR CB . 11193 1 676 . 1 1 59 59 TYR CD1 C 13 132.842 0.300 . 1 . . . . 59 TYR CD1 . 11193 1 677 . 1 1 59 59 TYR CD2 C 13 132.842 0.300 . 1 . . . . 59 TYR CD2 . 11193 1 678 . 1 1 59 59 TYR CE1 C 13 117.923 0.300 . 1 . . . . 59 TYR CE1 . 11193 1 679 . 1 1 59 59 TYR CE2 C 13 117.923 0.300 . 1 . . . . 59 TYR CE2 . 11193 1 680 . 1 1 59 59 TYR N N 15 119.901 0.300 . 1 . . . . 59 TYR N . 11193 1 681 . 1 1 60 60 LEU H H 1 7.505 0.030 . 1 . . . . 60 LEU H . 11193 1 682 . 1 1 60 60 LEU HA H 1 5.383 0.030 . 1 . . . . 60 LEU HA . 11193 1 683 . 1 1 60 60 LEU HB2 H 1 1.567 0.030 . 2 . . . . 60 LEU HB2 . 11193 1 684 . 1 1 60 60 LEU HB3 H 1 1.332 0.030 . 2 . . . . 60 LEU HB3 . 11193 1 685 . 1 1 60 60 LEU HD11 H 1 0.567 0.030 . 1 . . . . 60 LEU HD1 . 11193 1 686 . 1 1 60 60 LEU HD12 H 1 0.567 0.030 . 1 . . . . 60 LEU HD1 . 11193 1 687 . 1 1 60 60 LEU HD13 H 1 0.567 0.030 . 1 . . . . 60 LEU HD1 . 11193 1 688 . 1 1 60 60 LEU HD21 H 1 0.668 0.030 . 1 . . . . 60 LEU HD2 . 11193 1 689 . 1 1 60 60 LEU HD22 H 1 0.668 0.030 . 1 . . . . 60 LEU HD2 . 11193 1 690 . 1 1 60 60 LEU HD23 H 1 0.668 0.030 . 1 . . . . 60 LEU HD2 . 11193 1 691 . 1 1 60 60 LEU HG H 1 1.316 0.030 . 1 . . . . 60 LEU HG . 11193 1 692 . 1 1 60 60 LEU C C 13 175.921 0.300 . 1 . . . . 60 LEU C . 11193 1 693 . 1 1 60 60 LEU CA C 13 53.179 0.300 . 1 . . . . 60 LEU CA . 11193 1 694 . 1 1 60 60 LEU CB C 13 45.129 0.300 . 1 . . . . 60 LEU CB . 11193 1 695 . 1 1 60 60 LEU CD1 C 13 26.495 0.300 . 2 . . . . 60 LEU CD1 . 11193 1 696 . 1 1 60 60 LEU CD2 C 13 24.503 0.300 . 2 . . . . 60 LEU CD2 . 11193 1 697 . 1 1 60 60 LEU CG C 13 26.778 0.300 . 1 . . . . 60 LEU CG . 11193 1 698 . 1 1 60 60 LEU N N 15 119.512 0.300 . 1 . . . . 60 LEU N . 11193 1 699 . 1 1 61 61 GLU H H 1 9.289 0.030 . 1 . . . . 61 GLU H . 11193 1 700 . 1 1 61 61 GLU HA H 1 4.743 0.030 . 1 . . . . 61 GLU HA . 11193 1 701 . 1 1 61 61 GLU HB2 H 1 1.866 0.030 . 1 . . . . 61 GLU HB2 . 11193 1 702 . 1 1 61 61 GLU HB3 H 1 1.866 0.030 . 1 . . . . 61 GLU HB3 . 11193 1 703 . 1 1 61 61 GLU HG2 H 1 2.191 0.030 . 2 . . . . 61 GLU HG2 . 11193 1 704 . 1 1 61 61 GLU HG3 H 1 2.220 0.030 . 2 . . . . 61 GLU HG3 . 11193 1 705 . 1 1 61 61 GLU C C 13 174.354 0.300 . 1 . . . . 61 GLU C . 11193 1 706 . 1 1 61 61 GLU CA C 13 54.659 0.300 . 1 . . . . 61 GLU CA . 11193 1 707 . 1 1 61 61 GLU CB C 13 33.557 0.300 . 1 . . . . 61 GLU CB . 11193 1 708 . 1 1 61 61 GLU CG C 13 36.048 0.300 . 1 . . . . 61 GLU CG . 11193 1 709 . 1 1 61 61 GLU N N 15 120.441 0.300 . 1 . . . . 61 GLU N . 11193 1 710 . 1 1 62 62 ALA H H 1 8.761 0.030 . 1 . . . . 62 ALA H . 11193 1 711 . 1 1 62 62 ALA HA H 1 3.236 0.030 . 1 . . . . 62 ALA HA . 11193 1 712 . 1 1 62 62 ALA HB1 H 1 1.151 0.030 . 1 . . . . 62 ALA HB . 11193 1 713 . 1 1 62 62 ALA HB2 H 1 1.151 0.030 . 1 . . . . 62 ALA HB . 11193 1 714 . 1 1 62 62 ALA HB3 H 1 1.151 0.030 . 1 . . . . 62 ALA HB . 11193 1 715 . 1 1 62 62 ALA C C 13 177.672 0.300 . 1 . . . . 62 ALA C . 11193 1 716 . 1 1 62 62 ALA CA C 13 52.693 0.300 . 1 . . . . 62 ALA CA . 11193 1 717 . 1 1 62 62 ALA CB C 13 18.259 0.300 . 1 . . . . 62 ALA CB . 11193 1 718 . 1 1 62 62 ALA N N 15 128.117 0.300 . 1 . . . . 62 ALA N . 11193 1 719 . 1 1 63 63 GLN H H 1 8.150 0.030 . 1 . . . . 63 GLN H . 11193 1 720 . 1 1 63 63 GLN HA H 1 4.257 0.030 . 1 . . . . 63 GLN HA . 11193 1 721 . 1 1 63 63 GLN HB2 H 1 1.735 0.030 . 2 . . . . 63 GLN HB2 . 11193 1 722 . 1 1 63 63 GLN HB3 H 1 1.961 0.030 . 2 . . . . 63 GLN HB3 . 11193 1 723 . 1 1 63 63 GLN HE21 H 1 7.298 0.030 . 2 . . . . 63 GLN HE21 . 11193 1 724 . 1 1 63 63 GLN HE22 H 1 6.768 0.030 . 2 . . . . 63 GLN HE22 . 11193 1 725 . 1 1 63 63 GLN HG2 H 1 2.213 0.030 . 1 . . . . 63 GLN HG2 . 11193 1 726 . 1 1 63 63 GLN HG3 H 1 2.213 0.030 . 1 . . . . 63 GLN HG3 . 11193 1 727 . 1 1 63 63 GLN C C 13 175.329 0.300 . 1 . . . . 63 GLN C . 11193 1 728 . 1 1 63 63 GLN CA C 13 56.062 0.300 . 1 . . . . 63 GLN CA . 11193 1 729 . 1 1 63 63 GLN CB C 13 29.988 0.300 . 1 . . . . 63 GLN CB . 11193 1 730 . 1 1 63 63 GLN CG C 13 34.075 0.300 . 1 . . . . 63 GLN CG . 11193 1 731 . 1 1 63 63 GLN N N 15 120.853 0.300 . 1 . . . . 63 GLN N . 11193 1 732 . 1 1 63 63 GLN NE2 N 15 110.969 0.300 . 1 . . . . 63 GLN NE2 . 11193 1 733 . 1 1 64 64 ASN H H 1 8.570 0.030 . 1 . . . . 64 ASN H . 11193 1 734 . 1 1 64 64 ASN HA H 1 4.762 0.030 . 1 . . . . 64 ASN HA . 11193 1 735 . 1 1 64 64 ASN HB2 H 1 2.830 0.030 . 2 . . . . 64 ASN HB2 . 11193 1 736 . 1 1 64 64 ASN HB3 H 1 2.757 0.030 . 2 . . . . 64 ASN HB3 . 11193 1 737 . 1 1 64 64 ASN HD21 H 1 7.616 0.030 . 2 . . . . 64 ASN HD21 . 11193 1 738 . 1 1 64 64 ASN HD22 H 1 6.894 0.030 . 2 . . . . 64 ASN HD22 . 11193 1 739 . 1 1 64 64 ASN C C 13 174.802 0.300 . 1 . . . . 64 ASN C . 11193 1 740 . 1 1 64 64 ASN CA C 13 52.908 0.300 . 1 . . . . 64 ASN CA . 11193 1 741 . 1 1 64 64 ASN CB C 13 38.888 0.300 . 1 . . . . 64 ASN CB . 11193 1 742 . 1 1 64 64 ASN N N 15 120.731 0.300 . 1 . . . . 64 ASN N . 11193 1 743 . 1 1 64 64 ASN ND2 N 15 113.056 0.300 . 1 . . . . 64 ASN ND2 . 11193 1 744 . 1 1 65 65 SER H H 1 8.372 0.030 . 1 . . . . 65 SER H . 11193 1 745 . 1 1 65 65 SER HA H 1 4.512 0.030 . 1 . . . . 65 SER HA . 11193 1 746 . 1 1 65 65 SER HB2 H 1 3.882 0.030 . 1 . . . . 65 SER HB2 . 11193 1 747 . 1 1 65 65 SER HB3 H 1 3.882 0.030 . 1 . . . . 65 SER HB3 . 11193 1 748 . 1 1 65 65 SER C C 13 174.433 0.300 . 1 . . . . 65 SER C . 11193 1 749 . 1 1 65 65 SER CA C 13 58.138 0.300 . 1 . . . . 65 SER CA . 11193 1 750 . 1 1 65 65 SER CB C 13 63.755 0.300 . 1 . . . . 65 SER CB . 11193 1 751 . 1 1 65 65 SER N N 15 116.814 0.300 . 1 . . . . 65 SER N . 11193 1 752 . 1 1 66 66 GLY H H 1 8.287 0.030 . 1 . . . . 66 GLY H . 11193 1 753 . 1 1 66 66 GLY HA2 H 1 4.099 0.030 . 2 . . . . 66 GLY HA2 . 11193 1 754 . 1 1 66 66 GLY HA3 H 1 4.148 0.030 . 2 . . . . 66 GLY HA3 . 11193 1 755 . 1 1 66 66 GLY C C 13 171.616 0.300 . 1 . . . . 66 GLY C . 11193 1 756 . 1 1 66 66 GLY CA C 13 44.478 0.300 . 1 . . . . 66 GLY CA . 11193 1 757 . 1 1 66 66 GLY N N 15 110.639 0.300 . 1 . . . . 66 GLY N . 11193 1 758 . 1 1 67 67 PRO HA H 1 4.489 0.030 . 1 . . . . 67 PRO HA . 11193 1 759 . 1 1 67 67 PRO HB2 H 1 1.978 0.030 . 2 . . . . 67 PRO HB2 . 11193 1 760 . 1 1 67 67 PRO HB3 H 1 2.303 0.030 . 2 . . . . 67 PRO HB3 . 11193 1 761 . 1 1 67 67 PRO HD2 H 1 3.628 0.030 . 1 . . . . 67 PRO HD2 . 11193 1 762 . 1 1 67 67 PRO HD3 H 1 3.628 0.030 . 1 . . . . 67 PRO HD3 . 11193 1 763 . 1 1 67 67 PRO HG2 H 1 2.019 0.030 . 1 . . . . 67 PRO HG2 . 11193 1 764 . 1 1 67 67 PRO HG3 H 1 2.019 0.030 . 1 . . . . 67 PRO HG3 . 11193 1 765 . 1 1 67 67 PRO C C 13 177.251 0.300 . 1 . . . . 67 PRO C . 11193 1 766 . 1 1 67 67 PRO CA C 13 63.023 0.300 . 1 . . . . 67 PRO CA . 11193 1 767 . 1 1 67 67 PRO CB C 13 31.950 0.300 . 1 . . . . 67 PRO CB . 11193 1 768 . 1 1 67 67 PRO CD C 13 49.605 0.300 . 1 . . . . 67 PRO CD . 11193 1 769 . 1 1 67 67 PRO CG C 13 26.896 0.300 . 1 . . . . 67 PRO CG . 11193 1 770 . 1 1 68 68 SER H H 1 8.523 0.030 . 1 . . . . 68 SER H . 11193 1 771 . 1 1 68 68 SER HA H 1 4.518 0.030 . 1 . . . . 68 SER HA . 11193 1 772 . 1 1 68 68 SER HB2 H 1 3.918 0.030 . 1 . . . . 68 SER HB2 . 11193 1 773 . 1 1 68 68 SER HB3 H 1 3.918 0.030 . 1 . . . . 68 SER HB3 . 11193 1 774 . 1 1 68 68 SER C C 13 174.539 0.300 . 1 . . . . 68 SER C . 11193 1 775 . 1 1 68 68 SER CA C 13 58.115 0.300 . 1 . . . . 68 SER CA . 11193 1 776 . 1 1 68 68 SER CB C 13 63.581 0.300 . 1 . . . . 68 SER CB . 11193 1 777 . 1 1 68 68 SER N N 15 116.378 0.300 . 1 . . . . 68 SER N . 11193 1 778 . 1 1 69 69 SER H H 1 8.340 0.030 . 1 . . . . 69 SER H . 11193 1 779 . 1 1 69 69 SER HA H 1 4.509 0.030 . 1 . . . . 69 SER HA . 11193 1 780 . 1 1 69 69 SER HB2 H 1 3.901 0.030 . 1 . . . . 69 SER HB2 . 11193 1 781 . 1 1 69 69 SER HB3 H 1 3.901 0.030 . 1 . . . . 69 SER HB3 . 11193 1 782 . 1 1 69 69 SER C C 13 173.788 0.300 . 1 . . . . 69 SER C . 11193 1 783 . 1 1 69 69 SER CA C 13 58.161 0.300 . 1 . . . . 69 SER CA . 11193 1 784 . 1 1 69 69 SER CB C 13 63.899 0.300 . 1 . . . . 69 SER CB . 11193 1 785 . 1 1 69 69 SER N N 15 117.829 0.300 . 1 . . . . 69 SER N . 11193 1 786 . 1 1 70 70 GLY H H 1 8.047 0.030 . 1 . . . . 70 GLY H . 11193 1 787 . 1 1 70 70 GLY C C 13 178.804 0.300 . 1 . . . . 70 GLY C . 11193 1 788 . 1 1 70 70 GLY CA C 13 45.818 0.300 . 1 . . . . 70 GLY CA . 11193 1 789 . 1 1 70 70 GLY N N 15 116.803 0.300 . 1 . . . . 70 GLY N . 11193 1 stop_ save_