data_11219 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11219 _Entry.Title ; Solution structure of the first SH3 domain of human sorbin and Sh3 domain-containing protein 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-22 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-07-21 _Entry.Original_release_date 2011-07-21 _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 X. Qin . . . 11219 2 T. Nagashima . . . 11219 3 F. Hayashi . . . 11219 4 S. Yokoyama . . . 11219 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)' . 11219 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11219 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 295 11219 '15N chemical shifts' 63 11219 '1H chemical shifts' 457 11219 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 . . 2011-07-21 2010-07-22 original author . 11219 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DL3 'BMRB Entry Tracking System' 11219 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11219 _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 of human sorbin and Sh3 domain-containing protein 1 ; _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 X. Qin . . . 11219 1 2 T. Nagashima . . . 11219 1 3 F. Hayashi . . . 11219 1 4 S. Yokoyama . . . 11219 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11219 _Assembly.ID 1 _Assembly.Name 'Sorbin and SH3 domain-containing protein 1' _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 'Sorbin and SH3 domain-containing protein 1' 1 $entity_1 A . yes native no no . . . 11219 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 2dl3 . . . . . . 11219 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11219 _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 ; GSSGSSGRPARAKFDFKAQT LKELPLQKGDIVYIYKQIDQ NWYEGEHHGRVGIFPRTYIE LLSGPSSG ; _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 68 _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 2015-11-26 loop_ _Entity_db_link.Ordinal _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 1 no PDB 2DL3 . "Solution Structure Of The First Sh3 Domain Of Human Sorbin And Sh3 Domain-Containing Protein 1" . . . . . 100.00 68 100.00 100.00 3.46e-41 . . . . 11219 1 2 no PDB 4LNP . "The First Sh3 Domain From Cap/ponsin In Complex With Proline Rich Peptide From Vinculin" . . . . . 80.88 61 100.00 100.00 3.06e-32 . . . . 11219 1 3 no GB KFP25985 . "Sorbin and SH3 domain-containing protein 1, partial [Colius striatus]" . . . . . 80.88 96 98.18 100.00 9.17e-32 . . . . 11219 1 4 no GB KFV06230 . "Sorbin and SH3 domain-containing protein 1, partial [Tauraco erythrolophus]" . . . . . 80.88 96 98.18 100.00 8.88e-32 . . . . 11219 1 5 no GB KFZ48496 . "Sorbin and SH3 domain-containing protein 1, partial [Podiceps cristatus]" . . . . . 80.88 96 98.18 100.00 9.89e-32 . . . . 11219 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11219 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 . 11219 1 2 . SER . 11219 1 3 . SER . 11219 1 4 . GLY . 11219 1 5 . SER . 11219 1 6 . SER . 11219 1 7 . GLY . 11219 1 8 . ARG . 11219 1 9 . PRO . 11219 1 10 . ALA . 11219 1 11 . ARG . 11219 1 12 . ALA . 11219 1 13 . LYS . 11219 1 14 . PHE . 11219 1 15 . ASP . 11219 1 16 . PHE . 11219 1 17 . LYS . 11219 1 18 . ALA . 11219 1 19 . GLN . 11219 1 20 . THR . 11219 1 21 . LEU . 11219 1 22 . LYS . 11219 1 23 . GLU . 11219 1 24 . LEU . 11219 1 25 . PRO . 11219 1 26 . LEU . 11219 1 27 . GLN . 11219 1 28 . LYS . 11219 1 29 . GLY . 11219 1 30 . ASP . 11219 1 31 . ILE . 11219 1 32 . VAL . 11219 1 33 . TYR . 11219 1 34 . ILE . 11219 1 35 . TYR . 11219 1 36 . LYS . 11219 1 37 . GLN . 11219 1 38 . ILE . 11219 1 39 . ASP . 11219 1 40 . GLN . 11219 1 41 . ASN . 11219 1 42 . TRP . 11219 1 43 . TYR . 11219 1 44 . GLU . 11219 1 45 . GLY . 11219 1 46 . GLU . 11219 1 47 . HIS . 11219 1 48 . HIS . 11219 1 49 . GLY . 11219 1 50 . ARG . 11219 1 51 . VAL . 11219 1 52 . GLY . 11219 1 53 . ILE . 11219 1 54 . PHE . 11219 1 55 . PRO . 11219 1 56 . ARG . 11219 1 57 . THR . 11219 1 58 . TYR . 11219 1 59 . ILE . 11219 1 60 . GLU . 11219 1 61 . LEU . 11219 1 62 . LEU . 11219 1 63 . SER . 11219 1 64 . GLY . 11219 1 65 . PRO . 11219 1 66 . SER . 11219 1 67 . SER . 11219 1 68 . GLY . 11219 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 11219 1 . SER 2 2 11219 1 . SER 3 3 11219 1 . GLY 4 4 11219 1 . SER 5 5 11219 1 . SER 6 6 11219 1 . GLY 7 7 11219 1 . ARG 8 8 11219 1 . PRO 9 9 11219 1 . ALA 10 10 11219 1 . ARG 11 11 11219 1 . ALA 12 12 11219 1 . LYS 13 13 11219 1 . PHE 14 14 11219 1 . ASP 15 15 11219 1 . PHE 16 16 11219 1 . LYS 17 17 11219 1 . ALA 18 18 11219 1 . GLN 19 19 11219 1 . THR 20 20 11219 1 . LEU 21 21 11219 1 . LYS 22 22 11219 1 . GLU 23 23 11219 1 . LEU 24 24 11219 1 . PRO 25 25 11219 1 . LEU 26 26 11219 1 . GLN 27 27 11219 1 . LYS 28 28 11219 1 . GLY 29 29 11219 1 . ASP 30 30 11219 1 . ILE 31 31 11219 1 . VAL 32 32 11219 1 . TYR 33 33 11219 1 . ILE 34 34 11219 1 . TYR 35 35 11219 1 . LYS 36 36 11219 1 . GLN 37 37 11219 1 . ILE 38 38 11219 1 . ASP 39 39 11219 1 . GLN 40 40 11219 1 . ASN 41 41 11219 1 . TRP 42 42 11219 1 . TYR 43 43 11219 1 . GLU 44 44 11219 1 . GLY 45 45 11219 1 . GLU 46 46 11219 1 . HIS 47 47 11219 1 . HIS 48 48 11219 1 . GLY 49 49 11219 1 . ARG 50 50 11219 1 . VAL 51 51 11219 1 . GLY 52 52 11219 1 . ILE 53 53 11219 1 . PHE 54 54 11219 1 . PRO 55 55 11219 1 . ARG 56 56 11219 1 . THR 57 57 11219 1 . TYR 58 58 11219 1 . ILE 59 59 11219 1 . GLU 60 60 11219 1 . LEU 61 61 11219 1 . LEU 62 62 11219 1 . SER 63 63 11219 1 . GLY 64 64 11219 1 . PRO 65 65 11219 1 . SER 66 66 11219 1 . SER 67 67 11219 1 . GLY 68 68 11219 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 11219 _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 . . . . . . . . . . . . . . . . . . . . . 11219 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 11219 _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 . . P050613-04 . . . . . . 11219 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11219 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.00mM 13C, 15N-labeled {protein;} 20mM d-Tris-HCl {(pH7.0);} 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 1.00 . . mM . . . . 11219 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11219 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11219 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11219 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11219 1 6 H2O . . . . . . solvent 90 . . % . . . . 11219 1 7 D2O . . . . . . solvent 10 . . % . . . . 11219 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 11219 _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 11219 1 pH 7.0 0.05 pH 11219 1 pressure 1 0.001 atm 11219 1 temperature 298 0.1 K 11219 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11219 _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 . . 11219 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11219 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11219 _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.' . . 11219 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11219 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11219 _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.' . . 11219 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11219 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11219 _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.' . . 11219 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11219 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11219 _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.' . . 11219 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11219 5 'structure solution' 11219 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 11219 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11219 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11219 _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 . . . 11219 1 2 spectrometer_2 Varian INOVA . 900 . . . 11219 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 11219 _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 . . . . . . . . . . . . . . . . 11219 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11219 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 11219 _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 . . . . . . . . . 11219 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11219 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11219 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 11219 _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 11219 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11219 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 . . 11219 1 2 $NMRPipe . . 11219 1 3 $NMRView . . 11219 1 4 $Kujira . . 11219 1 5 $CYANA . . 11219 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 H H 1 6.800 0.030 . 1 . . . . 6 SER H . 11219 1 2 . 1 1 6 6 SER HA H 1 4.517 0.030 . 1 . . . . 6 SER HA . 11219 1 3 . 1 1 6 6 SER HB2 H 1 3.824 0.030 . 2 . . . . 6 SER HB2 . 11219 1 4 . 1 1 6 6 SER HB3 H 1 3.841 0.030 . 2 . . . . 6 SER HB3 . 11219 1 5 . 1 1 6 6 SER CA C 13 58.331 0.300 . 1 . . . . 6 SER CA . 11219 1 6 . 1 1 6 6 SER CB C 13 64.000 0.300 . 1 . . . . 6 SER CB . 11219 1 7 . 1 1 7 7 GLY H H 1 8.319 0.030 . 1 . . . . 7 GLY H . 11219 1 8 . 1 1 7 7 GLY HA2 H 1 4.242 0.030 . 2 . . . . 7 GLY HA2 . 11219 1 9 . 1 1 7 7 GLY HA3 H 1 3.939 0.030 . 2 . . . . 7 GLY HA3 . 11219 1 10 . 1 1 7 7 GLY C C 13 173.185 0.300 . 1 . . . . 7 GLY C . 11219 1 11 . 1 1 7 7 GLY CA C 13 44.957 0.300 . 1 . . . . 7 GLY CA . 11219 1 12 . 1 1 7 7 GLY N N 15 108.830 0.300 . 1 . . . . 7 GLY N . 11219 1 13 . 1 1 8 8 ARG H H 1 8.454 0.030 . 1 . . . . 8 ARG H . 11219 1 14 . 1 1 8 8 ARG HA H 1 4.982 0.030 . 1 . . . . 8 ARG HA . 11219 1 15 . 1 1 8 8 ARG HB2 H 1 1.858 0.030 . 2 . . . . 8 ARG HB2 . 11219 1 16 . 1 1 8 8 ARG HB3 H 1 1.795 0.030 . 2 . . . . 8 ARG HB3 . 11219 1 17 . 1 1 8 8 ARG HD2 H 1 3.208 0.030 . 1 . . . . 8 ARG HD2 . 11219 1 18 . 1 1 8 8 ARG HD3 H 1 3.208 0.030 . 1 . . . . 8 ARG HD3 . 11219 1 19 . 1 1 8 8 ARG HG2 H 1 1.750 0.030 . 1 . . . . 8 ARG HG2 . 11219 1 20 . 1 1 8 8 ARG HG3 H 1 1.750 0.030 . 1 . . . . 8 ARG HG3 . 11219 1 21 . 1 1 8 8 ARG C C 13 174.125 0.300 . 1 . . . . 8 ARG C . 11219 1 22 . 1 1 8 8 ARG CA C 13 53.122 0.300 . 1 . . . . 8 ARG CA . 11219 1 23 . 1 1 8 8 ARG CB C 13 31.645 0.300 . 1 . . . . 8 ARG CB . 11219 1 24 . 1 1 8 8 ARG CD C 13 43.816 0.300 . 1 . . . . 8 ARG CD . 11219 1 25 . 1 1 8 8 ARG CG C 13 26.584 0.300 . 1 . . . . 8 ARG CG . 11219 1 26 . 1 1 8 8 ARG N N 15 121.264 0.300 . 1 . . . . 8 ARG N . 11219 1 27 . 1 1 9 9 PRO HA H 1 4.501 0.030 . 1 . . . . 9 PRO HA . 11219 1 28 . 1 1 9 9 PRO HB2 H 1 1.941 0.030 . 2 . . . . 9 PRO HB2 . 11219 1 29 . 1 1 9 9 PRO HB3 H 1 1.729 0.030 . 2 . . . . 9 PRO HB3 . 11219 1 30 . 1 1 9 9 PRO HD2 H 1 3.869 0.030 . 2 . . . . 9 PRO HD2 . 11219 1 31 . 1 1 9 9 PRO HD3 H 1 3.984 0.030 . 2 . . . . 9 PRO HD3 . 11219 1 32 . 1 1 9 9 PRO HG2 H 1 2.088 0.030 . 1 . . . . 9 PRO HG2 . 11219 1 33 . 1 1 9 9 PRO HG3 H 1 2.088 0.030 . 1 . . . . 9 PRO HG3 . 11219 1 34 . 1 1 9 9 PRO C C 13 175.993 0.300 . 1 . . . . 9 PRO C . 11219 1 35 . 1 1 9 9 PRO CA C 13 62.618 0.300 . 1 . . . . 9 PRO CA . 11219 1 36 . 1 1 9 9 PRO CB C 13 32.314 0.300 . 1 . . . . 9 PRO CB . 11219 1 37 . 1 1 9 9 PRO CD C 13 50.825 0.300 . 1 . . . . 9 PRO CD . 11219 1 38 . 1 1 9 9 PRO CG C 13 27.484 0.300 . 1 . . . . 9 PRO CG . 11219 1 39 . 1 1 10 10 ALA H H 1 8.897 0.030 . 1 . . . . 10 ALA H . 11219 1 40 . 1 1 10 10 ALA HA H 1 4.741 0.030 . 1 . . . . 10 ALA HA . 11219 1 41 . 1 1 10 10 ALA HB1 H 1 1.110 0.030 . 1 . . . . 10 ALA HB . 11219 1 42 . 1 1 10 10 ALA HB2 H 1 1.110 0.030 . 1 . . . . 10 ALA HB . 11219 1 43 . 1 1 10 10 ALA HB3 H 1 1.110 0.030 . 1 . . . . 10 ALA HB . 11219 1 44 . 1 1 10 10 ALA C C 13 173.546 0.300 . 1 . . . . 10 ALA C . 11219 1 45 . 1 1 10 10 ALA CA C 13 50.942 0.300 . 1 . . . . 10 ALA CA . 11219 1 46 . 1 1 10 10 ALA CB C 13 23.675 0.300 . 1 . . . . 10 ALA CB . 11219 1 47 . 1 1 10 10 ALA N N 15 124.157 0.300 . 1 . . . . 10 ALA N . 11219 1 48 . 1 1 11 11 ARG H H 1 8.838 0.030 . 1 . . . . 11 ARG H . 11219 1 49 . 1 1 11 11 ARG HA H 1 5.386 0.030 . 1 . . . . 11 ARG HA . 11219 1 50 . 1 1 11 11 ARG HB2 H 1 1.668 0.030 . 2 . . . . 11 ARG HB2 . 11219 1 51 . 1 1 11 11 ARG HB3 H 1 1.433 0.030 . 2 . . . . 11 ARG HB3 . 11219 1 52 . 1 1 11 11 ARG HD2 H 1 3.137 0.030 . 2 . . . . 11 ARG HD2 . 11219 1 53 . 1 1 11 11 ARG HD3 H 1 3.110 0.030 . 2 . . . . 11 ARG HD3 . 11219 1 54 . 1 1 11 11 ARG HG2 H 1 1.330 0.030 . 1 . . . . 11 ARG HG2 . 11219 1 55 . 1 1 11 11 ARG HG3 H 1 1.330 0.030 . 1 . . . . 11 ARG HG3 . 11219 1 56 . 1 1 11 11 ARG C C 13 176.292 0.300 . 1 . . . . 11 ARG C . 11219 1 57 . 1 1 11 11 ARG CA C 13 53.263 0.300 . 1 . . . . 11 ARG CA . 11219 1 58 . 1 1 11 11 ARG CB C 13 34.413 0.300 . 1 . . . . 11 ARG CB . 11219 1 59 . 1 1 11 11 ARG CD C 13 43.494 0.300 . 1 . . . . 11 ARG CD . 11219 1 60 . 1 1 11 11 ARG CG C 13 27.049 0.300 . 1 . . . . 11 ARG CG . 11219 1 61 . 1 1 11 11 ARG N N 15 119.089 0.300 . 1 . . . . 11 ARG N . 11219 1 62 . 1 1 12 12 ALA H H 1 9.101 0.030 . 1 . . . . 12 ALA H . 11219 1 63 . 1 1 12 12 ALA HA H 1 4.610 0.030 . 1 . . . . 12 ALA HA . 11219 1 64 . 1 1 12 12 ALA HB1 H 1 1.369 0.030 . 1 . . . . 12 ALA HB . 11219 1 65 . 1 1 12 12 ALA HB2 H 1 1.369 0.030 . 1 . . . . 12 ALA HB . 11219 1 66 . 1 1 12 12 ALA HB3 H 1 1.369 0.030 . 1 . . . . 12 ALA HB . 11219 1 67 . 1 1 12 12 ALA C C 13 178.147 0.300 . 1 . . . . 12 ALA C . 11219 1 68 . 1 1 12 12 ALA CA C 13 52.212 0.300 . 1 . . . . 12 ALA CA . 11219 1 69 . 1 1 12 12 ALA CB C 13 18.719 0.300 . 1 . . . . 12 ALA CB . 11219 1 70 . 1 1 12 12 ALA N N 15 127.831 0.300 . 1 . . . . 12 ALA N . 11219 1 71 . 1 1 13 13 LYS H H 1 9.343 0.030 . 1 . . . . 13 LYS H . 11219 1 72 . 1 1 13 13 LYS HA H 1 3.819 0.030 . 1 . . . . 13 LYS HA . 11219 1 73 . 1 1 13 13 LYS HB2 H 1 0.927 0.030 . 2 . . . . 13 LYS HB2 . 11219 1 74 . 1 1 13 13 LYS HB3 H 1 0.774 0.030 . 2 . . . . 13 LYS HB3 . 11219 1 75 . 1 1 13 13 LYS HD2 H 1 1.394 0.030 . 2 . . . . 13 LYS HD2 . 11219 1 76 . 1 1 13 13 LYS HD3 H 1 1.331 0.030 . 2 . . . . 13 LYS HD3 . 11219 1 77 . 1 1 13 13 LYS HE2 H 1 2.683 0.030 . 2 . . . . 13 LYS HE2 . 11219 1 78 . 1 1 13 13 LYS HE3 H 1 2.662 0.030 . 2 . . . . 13 LYS HE3 . 11219 1 79 . 1 1 13 13 LYS HG2 H 1 0.924 0.030 . 1 . . . . 13 LYS HG2 . 11219 1 80 . 1 1 13 13 LYS HG3 H 1 0.924 0.030 . 1 . . . . 13 LYS HG3 . 11219 1 81 . 1 1 13 13 LYS C C 13 174.300 0.300 . 1 . . . . 13 LYS C . 11219 1 82 . 1 1 13 13 LYS CA C 13 57.391 0.300 . 1 . . . . 13 LYS CA . 11219 1 83 . 1 1 13 13 LYS CB C 13 33.693 0.300 . 1 . . . . 13 LYS CB . 11219 1 84 . 1 1 13 13 LYS CD C 13 29.222 0.300 . 1 . . . . 13 LYS CD . 11219 1 85 . 1 1 13 13 LYS CE C 13 41.502 0.300 . 1 . . . . 13 LYS CE . 11219 1 86 . 1 1 13 13 LYS CG C 13 24.851 0.300 . 1 . . . . 13 LYS CG . 11219 1 87 . 1 1 13 13 LYS N N 15 126.987 0.300 . 1 . . . . 13 LYS N . 11219 1 88 . 1 1 14 14 PHE H H 1 7.109 0.030 . 1 . . . . 14 PHE H . 11219 1 89 . 1 1 14 14 PHE HA H 1 4.811 0.030 . 1 . . . . 14 PHE HA . 11219 1 90 . 1 1 14 14 PHE HB2 H 1 3.324 0.030 . 2 . . . . 14 PHE HB2 . 11219 1 91 . 1 1 14 14 PHE HB3 H 1 2.471 0.030 . 2 . . . . 14 PHE HB3 . 11219 1 92 . 1 1 14 14 PHE HD1 H 1 6.804 0.030 . 1 . . . . 14 PHE HD1 . 11219 1 93 . 1 1 14 14 PHE HD2 H 1 6.804 0.030 . 1 . . . . 14 PHE HD2 . 11219 1 94 . 1 1 14 14 PHE HE1 H 1 7.112 0.030 . 1 . . . . 14 PHE HE1 . 11219 1 95 . 1 1 14 14 PHE HE2 H 1 7.112 0.030 . 1 . . . . 14 PHE HE2 . 11219 1 96 . 1 1 14 14 PHE HZ H 1 7.160 0.030 . 1 . . . . 14 PHE HZ . 11219 1 97 . 1 1 14 14 PHE C C 13 173.498 0.300 . 1 . . . . 14 PHE C . 11219 1 98 . 1 1 14 14 PHE CA C 13 53.451 0.300 . 1 . . . . 14 PHE CA . 11219 1 99 . 1 1 14 14 PHE CB C 13 43.299 0.300 . 1 . . . . 14 PHE CB . 11219 1 100 . 1 1 14 14 PHE CD1 C 13 132.389 0.300 . 1 . . . . 14 PHE CD1 . 11219 1 101 . 1 1 14 14 PHE CD2 C 13 132.389 0.300 . 1 . . . . 14 PHE CD2 . 11219 1 102 . 1 1 14 14 PHE CE1 C 13 130.705 0.300 . 1 . . . . 14 PHE CE1 . 11219 1 103 . 1 1 14 14 PHE CE2 C 13 130.705 0.300 . 1 . . . . 14 PHE CE2 . 11219 1 104 . 1 1 14 14 PHE CZ C 13 129.422 0.300 . 1 . . . . 14 PHE CZ . 11219 1 105 . 1 1 14 14 PHE N N 15 111.866 0.300 . 1 . . . . 14 PHE N . 11219 1 106 . 1 1 15 15 ASP H H 1 8.370 0.030 . 1 . . . . 15 ASP H . 11219 1 107 . 1 1 15 15 ASP HA H 1 4.590 0.030 . 1 . . . . 15 ASP HA . 11219 1 108 . 1 1 15 15 ASP HB2 H 1 2.707 0.030 . 2 . . . . 15 ASP HB2 . 11219 1 109 . 1 1 15 15 ASP HB3 H 1 2.624 0.030 . 2 . . . . 15 ASP HB3 . 11219 1 110 . 1 1 15 15 ASP C C 13 175.873 0.300 . 1 . . . . 15 ASP C . 11219 1 111 . 1 1 15 15 ASP CA C 13 54.787 0.300 . 1 . . . . 15 ASP CA . 11219 1 112 . 1 1 15 15 ASP CB C 13 41.194 0.300 . 1 . . . . 15 ASP CB . 11219 1 113 . 1 1 15 15 ASP N N 15 117.493 0.300 . 1 . . . . 15 ASP N . 11219 1 114 . 1 1 16 16 PHE H H 1 9.288 0.030 . 1 . . . . 16 PHE H . 11219 1 115 . 1 1 16 16 PHE HA H 1 5.072 0.030 . 1 . . . . 16 PHE HA . 11219 1 116 . 1 1 16 16 PHE HB2 H 1 3.052 0.030 . 2 . . . . 16 PHE HB2 . 11219 1 117 . 1 1 16 16 PHE HB3 H 1 2.825 0.030 . 2 . . . . 16 PHE HB3 . 11219 1 118 . 1 1 16 16 PHE HD1 H 1 7.334 0.030 . 1 . . . . 16 PHE HD1 . 11219 1 119 . 1 1 16 16 PHE HD2 H 1 7.334 0.030 . 1 . . . . 16 PHE HD2 . 11219 1 120 . 1 1 16 16 PHE HE1 H 1 7.450 0.030 . 1 . . . . 16 PHE HE1 . 11219 1 121 . 1 1 16 16 PHE HE2 H 1 7.450 0.030 . 1 . . . . 16 PHE HE2 . 11219 1 122 . 1 1 16 16 PHE HZ H 1 7.607 0.030 . 1 . . . . 16 PHE HZ . 11219 1 123 . 1 1 16 16 PHE C C 13 173.846 0.300 . 1 . . . . 16 PHE C . 11219 1 124 . 1 1 16 16 PHE CA C 13 56.406 0.300 . 1 . . . . 16 PHE CA . 11219 1 125 . 1 1 16 16 PHE CB C 13 42.244 0.300 . 1 . . . . 16 PHE CB . 11219 1 126 . 1 1 16 16 PHE CD1 C 13 132.350 0.300 . 1 . . . . 16 PHE CD1 . 11219 1 127 . 1 1 16 16 PHE CD2 C 13 132.350 0.300 . 1 . . . . 16 PHE CD2 . 11219 1 128 . 1 1 16 16 PHE CE1 C 13 131.471 0.300 . 1 . . . . 16 PHE CE1 . 11219 1 129 . 1 1 16 16 PHE CE2 C 13 131.471 0.300 . 1 . . . . 16 PHE CE2 . 11219 1 130 . 1 1 16 16 PHE CZ C 13 129.974 0.300 . 1 . . . . 16 PHE CZ . 11219 1 131 . 1 1 16 16 PHE N N 15 123.054 0.300 . 1 . . . . 16 PHE N . 11219 1 132 . 1 1 17 17 LYS H H 1 8.175 0.030 . 1 . . . . 17 LYS H . 11219 1 133 . 1 1 17 17 LYS HA H 1 4.190 0.030 . 1 . . . . 17 LYS HA . 11219 1 134 . 1 1 17 17 LYS HB2 H 1 1.575 0.030 . 1 . . . . 17 LYS HB2 . 11219 1 135 . 1 1 17 17 LYS HB3 H 1 1.575 0.030 . 1 . . . . 17 LYS HB3 . 11219 1 136 . 1 1 17 17 LYS HD2 H 1 1.626 0.030 . 1 . . . . 17 LYS HD2 . 11219 1 137 . 1 1 17 17 LYS HD3 H 1 1.626 0.030 . 1 . . . . 17 LYS HD3 . 11219 1 138 . 1 1 17 17 LYS HE2 H 1 2.971 0.030 . 1 . . . . 17 LYS HE2 . 11219 1 139 . 1 1 17 17 LYS HE3 H 1 2.971 0.030 . 1 . . . . 17 LYS HE3 . 11219 1 140 . 1 1 17 17 LYS HG2 H 1 1.362 0.030 . 2 . . . . 17 LYS HG2 . 11219 1 141 . 1 1 17 17 LYS HG3 H 1 1.213 0.030 . 2 . . . . 17 LYS HG3 . 11219 1 142 . 1 1 17 17 LYS C C 13 174.075 0.300 . 1 . . . . 17 LYS C . 11219 1 143 . 1 1 17 17 LYS CA C 13 54.502 0.300 . 1 . . . . 17 LYS CA . 11219 1 144 . 1 1 17 17 LYS CB C 13 31.809 0.300 . 1 . . . . 17 LYS CB . 11219 1 145 . 1 1 17 17 LYS CD C 13 28.988 0.300 . 1 . . . . 17 LYS CD . 11219 1 146 . 1 1 17 17 LYS CE C 13 42.172 0.300 . 1 . . . . 17 LYS CE . 11219 1 147 . 1 1 17 17 LYS CG C 13 24.604 0.300 . 1 . . . . 17 LYS CG . 11219 1 148 . 1 1 17 17 LYS N N 15 129.223 0.300 . 1 . . . . 17 LYS N . 11219 1 149 . 1 1 18 18 ALA H H 1 7.333 0.030 . 1 . . . . 18 ALA H . 11219 1 150 . 1 1 18 18 ALA HA H 1 3.952 0.030 . 1 . . . . 18 ALA HA . 11219 1 151 . 1 1 18 18 ALA HB1 H 1 1.201 0.030 . 1 . . . . 18 ALA HB . 11219 1 152 . 1 1 18 18 ALA HB2 H 1 1.201 0.030 . 1 . . . . 18 ALA HB . 11219 1 153 . 1 1 18 18 ALA HB3 H 1 1.201 0.030 . 1 . . . . 18 ALA HB . 11219 1 154 . 1 1 18 18 ALA C C 13 178.145 0.300 . 1 . . . . 18 ALA C . 11219 1 155 . 1 1 18 18 ALA CA C 13 51.767 0.300 . 1 . . . . 18 ALA CA . 11219 1 156 . 1 1 18 18 ALA CB C 13 20.605 0.300 . 1 . . . . 18 ALA CB . 11219 1 157 . 1 1 18 18 ALA N N 15 126.823 0.300 . 1 . . . . 18 ALA N . 11219 1 158 . 1 1 19 19 GLN H H 1 9.441 0.030 . 1 . . . . 19 GLN H . 11219 1 159 . 1 1 19 19 GLN HA H 1 4.391 0.030 . 1 . . . . 19 GLN HA . 11219 1 160 . 1 1 19 19 GLN HB2 H 1 2.245 0.030 . 2 . . . . 19 GLN HB2 . 11219 1 161 . 1 1 19 19 GLN HB3 H 1 2.178 0.030 . 2 . . . . 19 GLN HB3 . 11219 1 162 . 1 1 19 19 GLN HE21 H 1 7.619 0.030 . 2 . . . . 19 GLN HE21 . 11219 1 163 . 1 1 19 19 GLN HE22 H 1 6.843 0.030 . 2 . . . . 19 GLN HE22 . 11219 1 164 . 1 1 19 19 GLN HG2 H 1 2.318 0.030 . 2 . . . . 19 GLN HG2 . 11219 1 165 . 1 1 19 19 GLN HG3 H 1 2.472 0.030 . 2 . . . . 19 GLN HG3 . 11219 1 166 . 1 1 19 19 GLN C C 13 176.035 0.300 . 1 . . . . 19 GLN C . 11219 1 167 . 1 1 19 19 GLN CA C 13 56.356 0.300 . 1 . . . . 19 GLN CA . 11219 1 168 . 1 1 19 19 GLN CB C 13 31.057 0.300 . 1 . . . . 19 GLN CB . 11219 1 169 . 1 1 19 19 GLN CG C 13 34.410 0.300 . 1 . . . . 19 GLN CG . 11219 1 170 . 1 1 19 19 GLN N N 15 121.567 0.300 . 1 . . . . 19 GLN N . 11219 1 171 . 1 1 19 19 GLN NE2 N 15 112.591 0.300 . 1 . . . . 19 GLN NE2 . 11219 1 172 . 1 1 20 20 THR H H 1 7.544 0.030 . 1 . . . . 20 THR H . 11219 1 173 . 1 1 20 20 THR HA H 1 4.723 0.030 . 1 . . . . 20 THR HA . 11219 1 174 . 1 1 20 20 THR HB H 1 4.474 0.030 . 1 . . . . 20 THR HB . 11219 1 175 . 1 1 20 20 THR HG21 H 1 1.172 0.030 . 1 . . . . 20 THR HG2 . 11219 1 176 . 1 1 20 20 THR HG22 H 1 1.172 0.030 . 1 . . . . 20 THR HG2 . 11219 1 177 . 1 1 20 20 THR HG23 H 1 1.172 0.030 . 1 . . . . 20 THR HG2 . 11219 1 178 . 1 1 20 20 THR C C 13 175.351 0.300 . 1 . . . . 20 THR C . 11219 1 179 . 1 1 20 20 THR CA C 13 59.559 0.300 . 1 . . . . 20 THR CA . 11219 1 180 . 1 1 20 20 THR CB C 13 72.004 0.300 . 1 . . . . 20 THR CB . 11219 1 181 . 1 1 20 20 THR CG2 C 13 21.112 0.300 . 1 . . . . 20 THR CG2 . 11219 1 182 . 1 1 20 20 THR N N 15 109.256 0.300 . 1 . . . . 20 THR N . 11219 1 183 . 1 1 21 21 LEU H H 1 8.428 0.030 . 1 . . . . 21 LEU H . 11219 1 184 . 1 1 21 21 LEU HA H 1 4.270 0.030 . 1 . . . . 21 LEU HA . 11219 1 185 . 1 1 21 21 LEU HB2 H 1 1.750 0.030 . 2 . . . . 21 LEU HB2 . 11219 1 186 . 1 1 21 21 LEU HB3 H 1 1.663 0.030 . 2 . . . . 21 LEU HB3 . 11219 1 187 . 1 1 21 21 LEU HD11 H 1 0.967 0.030 . 1 . . . . 21 LEU HD1 . 11219 1 188 . 1 1 21 21 LEU HD12 H 1 0.967 0.030 . 1 . . . . 21 LEU HD1 . 11219 1 189 . 1 1 21 21 LEU HD13 H 1 0.967 0.030 . 1 . . . . 21 LEU HD1 . 11219 1 190 . 1 1 21 21 LEU HD21 H 1 0.930 0.030 . 1 . . . . 21 LEU HD2 . 11219 1 191 . 1 1 21 21 LEU HD22 H 1 0.930 0.030 . 1 . . . . 21 LEU HD2 . 11219 1 192 . 1 1 21 21 LEU HD23 H 1 0.930 0.030 . 1 . . . . 21 LEU HD2 . 11219 1 193 . 1 1 21 21 LEU HG H 1 1.766 0.030 . 1 . . . . 21 LEU HG . 11219 1 194 . 1 1 21 21 LEU C C 13 177.945 0.300 . 1 . . . . 21 LEU C . 11219 1 195 . 1 1 21 21 LEU CA C 13 57.038 0.300 . 1 . . . . 21 LEU CA . 11219 1 196 . 1 1 21 21 LEU CB C 13 41.982 0.300 . 1 . . . . 21 LEU CB . 11219 1 197 . 1 1 21 21 LEU CD1 C 13 24.884 0.300 . 2 . . . . 21 LEU CD1 . 11219 1 198 . 1 1 21 21 LEU CD2 C 13 23.373 0.300 . 2 . . . . 21 LEU CD2 . 11219 1 199 . 1 1 21 21 LEU CG C 13 27.113 0.300 . 1 . . . . 21 LEU CG . 11219 1 200 . 1 1 21 21 LEU N N 15 119.481 0.300 . 1 . . . . 21 LEU N . 11219 1 201 . 1 1 22 22 LYS H H 1 7.757 0.030 . 1 . . . . 22 LYS H . 11219 1 202 . 1 1 22 22 LYS HA H 1 4.299 0.030 . 1 . . . . 22 LYS HA . 11219 1 203 . 1 1 22 22 LYS HB2 H 1 1.779 0.030 . 2 . . . . 22 LYS HB2 . 11219 1 204 . 1 1 22 22 LYS HB3 H 1 1.727 0.030 . 2 . . . . 22 LYS HB3 . 11219 1 205 . 1 1 22 22 LYS HD2 H 1 1.601 0.030 . 1 . . . . 22 LYS HD2 . 11219 1 206 . 1 1 22 22 LYS HD3 H 1 1.601 0.030 . 1 . . . . 22 LYS HD3 . 11219 1 207 . 1 1 22 22 LYS HE2 H 1 2.899 0.030 . 1 . . . . 22 LYS HE2 . 11219 1 208 . 1 1 22 22 LYS HE3 H 1 2.899 0.030 . 1 . . . . 22 LYS HE3 . 11219 1 209 . 1 1 22 22 LYS HG2 H 1 1.425 0.030 . 1 . . . . 22 LYS HG2 . 11219 1 210 . 1 1 22 22 LYS HG3 H 1 1.425 0.030 . 1 . . . . 22 LYS HG3 . 11219 1 211 . 1 1 22 22 LYS C C 13 177.254 0.300 . 1 . . . . 22 LYS C . 11219 1 212 . 1 1 22 22 LYS CA C 13 56.856 0.300 . 1 . . . . 22 LYS CA . 11219 1 213 . 1 1 22 22 LYS CB C 13 33.124 0.300 . 1 . . . . 22 LYS CB . 11219 1 214 . 1 1 22 22 LYS CD C 13 28.864 0.300 . 1 . . . . 22 LYS CD . 11219 1 215 . 1 1 22 22 LYS CE C 13 41.992 0.300 . 1 . . . . 22 LYS CE . 11219 1 216 . 1 1 22 22 LYS CG C 13 24.993 0.300 . 1 . . . . 22 LYS CG . 11219 1 217 . 1 1 22 22 LYS N N 15 115.739 0.300 . 1 . . . . 22 LYS N . 11219 1 218 . 1 1 23 23 GLU H H 1 7.300 0.030 . 1 . . . . 23 GLU H . 11219 1 219 . 1 1 23 23 GLU HA H 1 4.771 0.030 . 1 . . . . 23 GLU HA . 11219 1 220 . 1 1 23 23 GLU HB2 H 1 2.302 0.030 . 2 . . . . 23 GLU HB2 . 11219 1 221 . 1 1 23 23 GLU HB3 H 1 2.244 0.030 . 2 . . . . 23 GLU HB3 . 11219 1 222 . 1 1 23 23 GLU HG2 H 1 2.348 0.030 . 2 . . . . 23 GLU HG2 . 11219 1 223 . 1 1 23 23 GLU HG3 H 1 2.162 0.030 . 2 . . . . 23 GLU HG3 . 11219 1 224 . 1 1 23 23 GLU C C 13 174.278 0.300 . 1 . . . . 23 GLU C . 11219 1 225 . 1 1 23 23 GLU CA C 13 55.575 0.300 . 1 . . . . 23 GLU CA . 11219 1 226 . 1 1 23 23 GLU CB C 13 32.410 0.300 . 1 . . . . 23 GLU CB . 11219 1 227 . 1 1 23 23 GLU CG C 13 37.332 0.300 . 1 . . . . 23 GLU CG . 11219 1 228 . 1 1 23 23 GLU N N 15 119.558 0.300 . 1 . . . . 23 GLU N . 11219 1 229 . 1 1 24 24 LEU H H 1 9.209 0.030 . 1 . . . . 24 LEU H . 11219 1 230 . 1 1 24 24 LEU HA H 1 4.896 0.030 . 1 . . . . 24 LEU HA . 11219 1 231 . 1 1 24 24 LEU HB2 H 1 2.048 0.030 . 2 . . . . 24 LEU HB2 . 11219 1 232 . 1 1 24 24 LEU HB3 H 1 1.052 0.030 . 2 . . . . 24 LEU HB3 . 11219 1 233 . 1 1 24 24 LEU HD11 H 1 0.926 0.030 . 1 . . . . 24 LEU HD1 . 11219 1 234 . 1 1 24 24 LEU HD12 H 1 0.926 0.030 . 1 . . . . 24 LEU HD1 . 11219 1 235 . 1 1 24 24 LEU HD13 H 1 0.926 0.030 . 1 . . . . 24 LEU HD1 . 11219 1 236 . 1 1 24 24 LEU HD21 H 1 0.780 0.030 . 1 . . . . 24 LEU HD2 . 11219 1 237 . 1 1 24 24 LEU HD22 H 1 0.780 0.030 . 1 . . . . 24 LEU HD2 . 11219 1 238 . 1 1 24 24 LEU HD23 H 1 0.780 0.030 . 1 . . . . 24 LEU HD2 . 11219 1 239 . 1 1 24 24 LEU HG H 1 1.548 0.030 . 1 . . . . 24 LEU HG . 11219 1 240 . 1 1 24 24 LEU C C 13 172.405 0.300 . 1 . . . . 24 LEU C . 11219 1 241 . 1 1 24 24 LEU CA C 13 50.759 0.300 . 1 . . . . 24 LEU CA . 11219 1 242 . 1 1 24 24 LEU CB C 13 45.235 0.300 . 1 . . . . 24 LEU CB . 11219 1 243 . 1 1 24 24 LEU CD1 C 13 24.794 0.300 . 2 . . . . 24 LEU CD1 . 11219 1 244 . 1 1 24 24 LEU CD2 C 13 25.993 0.300 . 2 . . . . 24 LEU CD2 . 11219 1 245 . 1 1 24 24 LEU CG C 13 26.259 0.300 . 1 . . . . 24 LEU CG . 11219 1 246 . 1 1 24 24 LEU N N 15 126.486 0.300 . 1 . . . . 24 LEU N . 11219 1 247 . 1 1 25 25 PRO HA H 1 4.521 0.030 . 1 . . . . 25 PRO HA . 11219 1 248 . 1 1 25 25 PRO HB2 H 1 2.345 0.030 . 2 . . . . 25 PRO HB2 . 11219 1 249 . 1 1 25 25 PRO HB3 H 1 1.995 0.030 . 2 . . . . 25 PRO HB3 . 11219 1 250 . 1 1 25 25 PRO HD2 H 1 3.765 0.030 . 2 . . . . 25 PRO HD2 . 11219 1 251 . 1 1 25 25 PRO HD3 H 1 4.006 0.030 . 2 . . . . 25 PRO HD3 . 11219 1 252 . 1 1 25 25 PRO HG2 H 1 2.160 0.030 . 2 . . . . 25 PRO HG2 . 11219 1 253 . 1 1 25 25 PRO HG3 H 1 2.064 0.030 . 2 . . . . 25 PRO HG3 . 11219 1 254 . 1 1 25 25 PRO C C 13 176.821 0.300 . 1 . . . . 25 PRO C . 11219 1 255 . 1 1 25 25 PRO CA C 13 62.615 0.300 . 1 . . . . 25 PRO CA . 11219 1 256 . 1 1 25 25 PRO CB C 13 32.086 0.300 . 1 . . . . 25 PRO CB . 11219 1 257 . 1 1 25 25 PRO CD C 13 50.167 0.300 . 1 . . . . 25 PRO CD . 11219 1 258 . 1 1 25 25 PRO CG C 13 27.483 0.300 . 1 . . . . 25 PRO CG . 11219 1 259 . 1 1 26 26 LEU H H 1 8.603 0.030 . 1 . . . . 26 LEU H . 11219 1 260 . 1 1 26 26 LEU HA H 1 4.705 0.030 . 1 . . . . 26 LEU HA . 11219 1 261 . 1 1 26 26 LEU HB2 H 1 1.782 0.030 . 2 . . . . 26 LEU HB2 . 11219 1 262 . 1 1 26 26 LEU HB3 H 1 1.078 0.030 . 2 . . . . 26 LEU HB3 . 11219 1 263 . 1 1 26 26 LEU HD11 H 1 0.386 0.030 . 1 . . . . 26 LEU HD1 . 11219 1 264 . 1 1 26 26 LEU HD12 H 1 0.386 0.030 . 1 . . . . 26 LEU HD1 . 11219 1 265 . 1 1 26 26 LEU HD13 H 1 0.386 0.030 . 1 . . . . 26 LEU HD1 . 11219 1 266 . 1 1 26 26 LEU HD21 H 1 0.282 0.030 . 1 . . . . 26 LEU HD2 . 11219 1 267 . 1 1 26 26 LEU HD22 H 1 0.282 0.030 . 1 . . . . 26 LEU HD2 . 11219 1 268 . 1 1 26 26 LEU HD23 H 1 0.282 0.030 . 1 . . . . 26 LEU HD2 . 11219 1 269 . 1 1 26 26 LEU HG H 1 1.889 0.030 . 1 . . . . 26 LEU HG . 11219 1 270 . 1 1 26 26 LEU C C 13 176.525 0.300 . 1 . . . . 26 LEU C . 11219 1 271 . 1 1 26 26 LEU CA C 13 53.554 0.300 . 1 . . . . 26 LEU CA . 11219 1 272 . 1 1 26 26 LEU CB C 13 46.853 0.300 . 1 . . . . 26 LEU CB . 11219 1 273 . 1 1 26 26 LEU CD1 C 13 25.360 0.300 . 2 . . . . 26 LEU CD1 . 11219 1 274 . 1 1 26 26 LEU CD2 C 13 23.243 0.300 . 2 . . . . 26 LEU CD2 . 11219 1 275 . 1 1 26 26 LEU CG C 13 25.663 0.300 . 1 . . . . 26 LEU CG . 11219 1 276 . 1 1 26 26 LEU N N 15 118.661 0.300 . 1 . . . . 26 LEU N . 11219 1 277 . 1 1 27 27 GLN H H 1 8.978 0.030 . 1 . . . . 27 GLN H . 11219 1 278 . 1 1 27 27 GLN HA H 1 4.828 0.030 . 1 . . . . 27 GLN HA . 11219 1 279 . 1 1 27 27 GLN HB2 H 1 1.959 0.030 . 2 . . . . 27 GLN HB2 . 11219 1 280 . 1 1 27 27 GLN HB3 H 1 1.917 0.030 . 2 . . . . 27 GLN HB3 . 11219 1 281 . 1 1 27 27 GLN HE21 H 1 7.682 0.030 . 2 . . . . 27 GLN HE21 . 11219 1 282 . 1 1 27 27 GLN HE22 H 1 6.783 0.030 . 2 . . . . 27 GLN HE22 . 11219 1 283 . 1 1 27 27 GLN HG2 H 1 2.361 0.030 . 2 . . . . 27 GLN HG2 . 11219 1 284 . 1 1 27 27 GLN HG3 H 1 2.293 0.030 . 2 . . . . 27 GLN HG3 . 11219 1 285 . 1 1 27 27 GLN C C 13 174.916 0.300 . 1 . . . . 27 GLN C . 11219 1 286 . 1 1 27 27 GLN CA C 13 53.459 0.300 . 1 . . . . 27 GLN CA . 11219 1 287 . 1 1 27 27 GLN CB C 13 31.219 0.300 . 1 . . . . 27 GLN CB . 11219 1 288 . 1 1 27 27 GLN CG C 13 34.868 0.300 . 1 . . . . 27 GLN CG . 11219 1 289 . 1 1 27 27 GLN N N 15 123.348 0.300 . 1 . . . . 27 GLN N . 11219 1 290 . 1 1 27 27 GLN NE2 N 15 112.246 0.300 . 1 . . . . 27 GLN NE2 . 11219 1 291 . 1 1 28 28 LYS H H 1 8.936 0.030 . 1 . . . . 28 LYS H . 11219 1 292 . 1 1 28 28 LYS HA H 1 3.178 0.030 . 1 . . . . 28 LYS HA . 11219 1 293 . 1 1 28 28 LYS HB2 H 1 1.632 0.030 . 2 . . . . 28 LYS HB2 . 11219 1 294 . 1 1 28 28 LYS HB3 H 1 1.515 0.030 . 2 . . . . 28 LYS HB3 . 11219 1 295 . 1 1 28 28 LYS HD2 H 1 1.655 0.030 . 2 . . . . 28 LYS HD2 . 11219 1 296 . 1 1 28 28 LYS HD3 H 1 1.695 0.030 . 2 . . . . 28 LYS HD3 . 11219 1 297 . 1 1 28 28 LYS HE2 H 1 2.977 0.030 . 1 . . . . 28 LYS HE2 . 11219 1 298 . 1 1 28 28 LYS HE3 H 1 2.977 0.030 . 1 . . . . 28 LYS HE3 . 11219 1 299 . 1 1 28 28 LYS HG2 H 1 1.149 0.030 . 2 . . . . 28 LYS HG2 . 11219 1 300 . 1 1 28 28 LYS HG3 H 1 1.097 0.030 . 2 . . . . 28 LYS HG3 . 11219 1 301 . 1 1 28 28 LYS C C 13 177.151 0.300 . 1 . . . . 28 LYS C . 11219 1 302 . 1 1 28 28 LYS CA C 13 58.815 0.300 . 1 . . . . 28 LYS CA . 11219 1 303 . 1 1 28 28 LYS CB C 13 32.374 0.300 . 1 . . . . 28 LYS CB . 11219 1 304 . 1 1 28 28 LYS CD C 13 29.610 0.300 . 1 . . . . 28 LYS CD . 11219 1 305 . 1 1 28 28 LYS CE C 13 41.984 0.300 . 1 . . . . 28 LYS CE . 11219 1 306 . 1 1 28 28 LYS CG C 13 24.239 0.300 . 1 . . . . 28 LYS CG . 11219 1 307 . 1 1 28 28 LYS N N 15 122.847 0.300 . 1 . . . . 28 LYS N . 11219 1 308 . 1 1 29 29 GLY H H 1 8.923 0.030 . 1 . . . . 29 GLY H . 11219 1 309 . 1 1 29 29 GLY HA2 H 1 4.477 0.030 . 2 . . . . 29 GLY HA2 . 11219 1 310 . 1 1 29 29 GLY HA3 H 1 3.365 0.030 . 2 . . . . 29 GLY HA3 . 11219 1 311 . 1 1 29 29 GLY C C 13 174.353 0.300 . 1 . . . . 29 GLY C . 11219 1 312 . 1 1 29 29 GLY CA C 13 44.737 0.300 . 1 . . . . 29 GLY CA . 11219 1 313 . 1 1 29 29 GLY N N 15 115.478 0.300 . 1 . . . . 29 GLY N . 11219 1 314 . 1 1 30 30 ASP H H 1 8.525 0.030 . 1 . . . . 30 ASP H . 11219 1 315 . 1 1 30 30 ASP HA H 1 4.413 0.030 . 1 . . . . 30 ASP HA . 11219 1 316 . 1 1 30 30 ASP HB2 H 1 2.425 0.030 . 2 . . . . 30 ASP HB2 . 11219 1 317 . 1 1 30 30 ASP HB3 H 1 1.791 0.030 . 2 . . . . 30 ASP HB3 . 11219 1 318 . 1 1 30 30 ASP C C 13 175.136 0.300 . 1 . . . . 30 ASP C . 11219 1 319 . 1 1 30 30 ASP CA C 13 55.674 0.300 . 1 . . . . 30 ASP CA . 11219 1 320 . 1 1 30 30 ASP CB C 13 41.583 0.300 . 1 . . . . 30 ASP CB . 11219 1 321 . 1 1 30 30 ASP N N 15 123.018 0.300 . 1 . . . . 30 ASP N . 11219 1 322 . 1 1 31 31 ILE H H 1 8.335 0.030 . 1 . . . . 31 ILE H . 11219 1 323 . 1 1 31 31 ILE HA H 1 4.901 0.030 . 1 . . . . 31 ILE HA . 11219 1 324 . 1 1 31 31 ILE HB H 1 1.953 0.030 . 1 . . . . 31 ILE HB . 11219 1 325 . 1 1 31 31 ILE HD11 H 1 0.748 0.030 . 1 . . . . 31 ILE HD1 . 11219 1 326 . 1 1 31 31 ILE HD12 H 1 0.748 0.030 . 1 . . . . 31 ILE HD1 . 11219 1 327 . 1 1 31 31 ILE HD13 H 1 0.748 0.030 . 1 . . . . 31 ILE HD1 . 11219 1 328 . 1 1 31 31 ILE HG12 H 1 1.545 0.030 . 2 . . . . 31 ILE HG12 . 11219 1 329 . 1 1 31 31 ILE HG13 H 1 1.410 0.030 . 2 . . . . 31 ILE HG13 . 11219 1 330 . 1 1 31 31 ILE HG21 H 1 0.661 0.030 . 1 . . . . 31 ILE HG2 . 11219 1 331 . 1 1 31 31 ILE HG22 H 1 0.661 0.030 . 1 . . . . 31 ILE HG2 . 11219 1 332 . 1 1 31 31 ILE HG23 H 1 0.661 0.030 . 1 . . . . 31 ILE HG2 . 11219 1 333 . 1 1 31 31 ILE C C 13 175.630 0.300 . 1 . . . . 31 ILE C . 11219 1 334 . 1 1 31 31 ILE CA C 13 58.649 0.300 . 1 . . . . 31 ILE CA . 11219 1 335 . 1 1 31 31 ILE CB C 13 36.590 0.300 . 1 . . . . 31 ILE CB . 11219 1 336 . 1 1 31 31 ILE CD1 C 13 10.674 0.300 . 1 . . . . 31 ILE CD1 . 11219 1 337 . 1 1 31 31 ILE CG1 C 13 26.977 0.300 . 1 . . . . 31 ILE CG1 . 11219 1 338 . 1 1 31 31 ILE CG2 C 13 16.401 0.300 . 1 . . . . 31 ILE CG2 . 11219 1 339 . 1 1 31 31 ILE N N 15 120.975 0.300 . 1 . . . . 31 ILE N . 11219 1 340 . 1 1 32 32 VAL H H 1 8.752 0.030 . 1 . . . . 32 VAL H . 11219 1 341 . 1 1 32 32 VAL HA H 1 4.744 0.030 . 1 . . . . 32 VAL HA . 11219 1 342 . 1 1 32 32 VAL HB H 1 1.505 0.030 . 1 . . . . 32 VAL HB . 11219 1 343 . 1 1 32 32 VAL HG11 H 1 0.243 0.030 . 1 . . . . 32 VAL HG1 . 11219 1 344 . 1 1 32 32 VAL HG12 H 1 0.243 0.030 . 1 . . . . 32 VAL HG1 . 11219 1 345 . 1 1 32 32 VAL HG13 H 1 0.243 0.030 . 1 . . . . 32 VAL HG1 . 11219 1 346 . 1 1 32 32 VAL HG21 H 1 0.246 0.030 . 1 . . . . 32 VAL HG2 . 11219 1 347 . 1 1 32 32 VAL HG22 H 1 0.246 0.030 . 1 . . . . 32 VAL HG2 . 11219 1 348 . 1 1 32 32 VAL HG23 H 1 0.246 0.030 . 1 . . . . 32 VAL HG2 . 11219 1 349 . 1 1 32 32 VAL C C 13 172.649 0.300 . 1 . . . . 32 VAL C . 11219 1 350 . 1 1 32 32 VAL CA C 13 57.965 0.300 . 1 . . . . 32 VAL CA . 11219 1 351 . 1 1 32 32 VAL CB C 13 34.507 0.300 . 1 . . . . 32 VAL CB . 11219 1 352 . 1 1 32 32 VAL CG1 C 13 20.727 0.300 . 2 . . . . 32 VAL CG1 . 11219 1 353 . 1 1 32 32 VAL CG2 C 13 20.660 0.300 . 2 . . . . 32 VAL CG2 . 11219 1 354 . 1 1 32 32 VAL N N 15 124.445 0.300 . 1 . . . . 32 VAL N . 11219 1 355 . 1 1 33 33 TYR H H 1 8.425 0.030 . 1 . . . . 33 TYR H . 11219 1 356 . 1 1 33 33 TYR HA H 1 4.755 0.030 . 1 . . . . 33 TYR HA . 11219 1 357 . 1 1 33 33 TYR HB2 H 1 2.841 0.030 . 2 . . . . 33 TYR HB2 . 11219 1 358 . 1 1 33 33 TYR HB3 H 1 2.716 0.030 . 2 . . . . 33 TYR HB3 . 11219 1 359 . 1 1 33 33 TYR HD1 H 1 6.952 0.030 . 1 . . . . 33 TYR HD1 . 11219 1 360 . 1 1 33 33 TYR HD2 H 1 6.952 0.030 . 1 . . . . 33 TYR HD2 . 11219 1 361 . 1 1 33 33 TYR HE1 H 1 6.782 0.030 . 1 . . . . 33 TYR HE1 . 11219 1 362 . 1 1 33 33 TYR HE2 H 1 6.782 0.030 . 1 . . . . 33 TYR HE2 . 11219 1 363 . 1 1 33 33 TYR C C 13 175.861 0.300 . 1 . . . . 33 TYR C . 11219 1 364 . 1 1 33 33 TYR CA C 13 57.012 0.300 . 1 . . . . 33 TYR CA . 11219 1 365 . 1 1 33 33 TYR CB C 13 40.098 0.300 . 1 . . . . 33 TYR CB . 11219 1 366 . 1 1 33 33 TYR CD1 C 13 132.691 0.300 . 1 . . . . 33 TYR CD1 . 11219 1 367 . 1 1 33 33 TYR CD2 C 13 132.691 0.300 . 1 . . . . 33 TYR CD2 . 11219 1 368 . 1 1 33 33 TYR CE1 C 13 117.768 0.300 . 1 . . . . 33 TYR CE1 . 11219 1 369 . 1 1 33 33 TYR CE2 C 13 117.768 0.300 . 1 . . . . 33 TYR CE2 . 11219 1 370 . 1 1 33 33 TYR N N 15 120.630 0.300 . 1 . . . . 33 TYR N . 11219 1 371 . 1 1 34 34 ILE H H 1 9.249 0.030 . 1 . . . . 34 ILE H . 11219 1 372 . 1 1 34 34 ILE HA H 1 3.902 0.030 . 1 . . . . 34 ILE HA . 11219 1 373 . 1 1 34 34 ILE HB H 1 1.743 0.030 . 1 . . . . 34 ILE HB . 11219 1 374 . 1 1 34 34 ILE HD11 H 1 0.159 0.030 . 1 . . . . 34 ILE HD1 . 11219 1 375 . 1 1 34 34 ILE HD12 H 1 0.159 0.030 . 1 . . . . 34 ILE HD1 . 11219 1 376 . 1 1 34 34 ILE HD13 H 1 0.159 0.030 . 1 . . . . 34 ILE HD1 . 11219 1 377 . 1 1 34 34 ILE HG12 H 1 1.395 0.030 . 2 . . . . 34 ILE HG12 . 11219 1 378 . 1 1 34 34 ILE HG13 H 1 0.662 0.030 . 2 . . . . 34 ILE HG13 . 11219 1 379 . 1 1 34 34 ILE HG21 H 1 0.586 0.030 . 1 . . . . 34 ILE HG2 . 11219 1 380 . 1 1 34 34 ILE HG22 H 1 0.586 0.030 . 1 . . . . 34 ILE HG2 . 11219 1 381 . 1 1 34 34 ILE HG23 H 1 0.586 0.030 . 1 . . . . 34 ILE HG2 . 11219 1 382 . 1 1 34 34 ILE C C 13 176.892 0.300 . 1 . . . . 34 ILE C . 11219 1 383 . 1 1 34 34 ILE CA C 13 62.568 0.300 . 1 . . . . 34 ILE CA . 11219 1 384 . 1 1 34 34 ILE CB C 13 39.633 0.300 . 1 . . . . 34 ILE CB . 11219 1 385 . 1 1 34 34 ILE CD1 C 13 13.751 0.300 . 1 . . . . 34 ILE CD1 . 11219 1 386 . 1 1 34 34 ILE CG1 C 13 28.391 0.300 . 1 . . . . 34 ILE CG1 . 11219 1 387 . 1 1 34 34 ILE CG2 C 13 18.058 0.300 . 1 . . . . 34 ILE CG2 . 11219 1 388 . 1 1 34 34 ILE N N 15 122.985 0.300 . 1 . . . . 34 ILE N . 11219 1 389 . 1 1 35 35 TYR H H 1 9.692 0.030 . 1 . . . . 35 TYR H . 11219 1 390 . 1 1 35 35 TYR HA H 1 5.122 0.030 . 1 . . . . 35 TYR HA . 11219 1 391 . 1 1 35 35 TYR HB2 H 1 3.256 0.030 . 2 . . . . 35 TYR HB2 . 11219 1 392 . 1 1 35 35 TYR HB3 H 1 3.026 0.030 . 2 . . . . 35 TYR HB3 . 11219 1 393 . 1 1 35 35 TYR HD1 H 1 7.062 0.030 . 1 . . . . 35 TYR HD1 . 11219 1 394 . 1 1 35 35 TYR HD2 H 1 7.062 0.030 . 1 . . . . 35 TYR HD2 . 11219 1 395 . 1 1 35 35 TYR HE1 H 1 6.802 0.030 . 1 . . . . 35 TYR HE1 . 11219 1 396 . 1 1 35 35 TYR HE2 H 1 6.802 0.030 . 1 . . . . 35 TYR HE2 . 11219 1 397 . 1 1 35 35 TYR C C 13 176.284 0.300 . 1 . . . . 35 TYR C . 11219 1 398 . 1 1 35 35 TYR CA C 13 56.527 0.300 . 1 . . . . 35 TYR CA . 11219 1 399 . 1 1 35 35 TYR CB C 13 38.678 0.300 . 1 . . . . 35 TYR CB . 11219 1 400 . 1 1 35 35 TYR CD1 C 13 130.959 0.300 . 1 . . . . 35 TYR CD1 . 11219 1 401 . 1 1 35 35 TYR CD2 C 13 130.959 0.300 . 1 . . . . 35 TYR CD2 . 11219 1 402 . 1 1 35 35 TYR CE1 C 13 118.408 0.300 . 1 . . . . 35 TYR CE1 . 11219 1 403 . 1 1 35 35 TYR CE2 C 13 118.408 0.300 . 1 . . . . 35 TYR CE2 . 11219 1 404 . 1 1 35 35 TYR N N 15 127.444 0.300 . 1 . . . . 35 TYR N . 11219 1 405 . 1 1 36 36 LYS H H 1 8.029 0.030 . 1 . . . . 36 LYS H . 11219 1 406 . 1 1 36 36 LYS HA H 1 4.753 0.030 . 1 . . . . 36 LYS HA . 11219 1 407 . 1 1 36 36 LYS HB2 H 1 2.069 0.030 . 2 . . . . 36 LYS HB2 . 11219 1 408 . 1 1 36 36 LYS HB3 H 1 1.795 0.030 . 2 . . . . 36 LYS HB3 . 11219 1 409 . 1 1 36 36 LYS HD2 H 1 1.653 0.030 . 1 . . . . 36 LYS HD2 . 11219 1 410 . 1 1 36 36 LYS HD3 H 1 1.653 0.030 . 1 . . . . 36 LYS HD3 . 11219 1 411 . 1 1 36 36 LYS HE2 H 1 2.906 0.030 . 1 . . . . 36 LYS HE2 . 11219 1 412 . 1 1 36 36 LYS HE3 H 1 2.906 0.030 . 1 . . . . 36 LYS HE3 . 11219 1 413 . 1 1 36 36 LYS HG2 H 1 1.382 0.030 . 2 . . . . 36 LYS HG2 . 11219 1 414 . 1 1 36 36 LYS HG3 H 1 1.186 0.030 . 2 . . . . 36 LYS HG3 . 11219 1 415 . 1 1 36 36 LYS C C 13 174.153 0.300 . 1 . . . . 36 LYS C . 11219 1 416 . 1 1 36 36 LYS CA C 13 55.557 0.300 . 1 . . . . 36 LYS CA . 11219 1 417 . 1 1 36 36 LYS CB C 13 35.481 0.300 . 1 . . . . 36 LYS CB . 11219 1 418 . 1 1 36 36 LYS CD C 13 29.421 0.300 . 1 . . . . 36 LYS CD . 11219 1 419 . 1 1 36 36 LYS CE C 13 42.009 0.300 . 1 . . . . 36 LYS CE . 11219 1 420 . 1 1 36 36 LYS CG C 13 23.960 0.300 . 1 . . . . 36 LYS CG . 11219 1 421 . 1 1 36 36 LYS N N 15 114.589 0.300 . 1 . . . . 36 LYS N . 11219 1 422 . 1 1 37 37 GLN H H 1 9.092 0.030 . 1 . . . . 37 GLN H . 11219 1 423 . 1 1 37 37 GLN HA H 1 4.722 0.030 . 1 . . . . 37 GLN HA . 11219 1 424 . 1 1 37 37 GLN HB2 H 1 2.112 0.030 . 2 . . . . 37 GLN HB2 . 11219 1 425 . 1 1 37 37 GLN HB3 H 1 2.046 0.030 . 2 . . . . 37 GLN HB3 . 11219 1 426 . 1 1 37 37 GLN HE21 H 1 6.742 0.030 . 2 . . . . 37 GLN HE21 . 11219 1 427 . 1 1 37 37 GLN HE22 H 1 7.130 0.030 . 2 . . . . 37 GLN HE22 . 11219 1 428 . 1 1 37 37 GLN HG2 H 1 2.286 0.030 . 2 . . . . 37 GLN HG2 . 11219 1 429 . 1 1 37 37 GLN HG3 H 1 2.093 0.030 . 2 . . . . 37 GLN HG3 . 11219 1 430 . 1 1 37 37 GLN C C 13 175.395 0.300 . 1 . . . . 37 GLN C . 11219 1 431 . 1 1 37 37 GLN CA C 13 56.098 0.300 . 1 . . . . 37 GLN CA . 11219 1 432 . 1 1 37 37 GLN CB C 13 29.104 0.300 . 1 . . . . 37 GLN CB . 11219 1 433 . 1 1 37 37 GLN CG C 13 33.964 0.300 . 1 . . . . 37 GLN CG . 11219 1 434 . 1 1 37 37 GLN N N 15 123.031 0.300 . 1 . . . . 37 GLN N . 11219 1 435 . 1 1 37 37 GLN NE2 N 15 110.325 0.300 . 1 . . . . 37 GLN NE2 . 11219 1 436 . 1 1 38 38 ILE H H 1 8.401 0.030 . 1 . . . . 38 ILE H . 11219 1 437 . 1 1 38 38 ILE HA H 1 4.008 0.030 . 1 . . . . 38 ILE HA . 11219 1 438 . 1 1 38 38 ILE HB H 1 1.783 0.030 . 1 . . . . 38 ILE HB . 11219 1 439 . 1 1 38 38 ILE HD11 H 1 0.737 0.030 . 1 . . . . 38 ILE HD1 . 11219 1 440 . 1 1 38 38 ILE HD12 H 1 0.737 0.030 . 1 . . . . 38 ILE HD1 . 11219 1 441 . 1 1 38 38 ILE HD13 H 1 0.737 0.030 . 1 . . . . 38 ILE HD1 . 11219 1 442 . 1 1 38 38 ILE HG12 H 1 1.315 0.030 . 2 . . . . 38 ILE HG12 . 11219 1 443 . 1 1 38 38 ILE HG13 H 1 1.137 0.030 . 2 . . . . 38 ILE HG13 . 11219 1 444 . 1 1 38 38 ILE HG21 H 1 0.842 0.030 . 1 . . . . 38 ILE HG2 . 11219 1 445 . 1 1 38 38 ILE HG22 H 1 0.842 0.030 . 1 . . . . 38 ILE HG2 . 11219 1 446 . 1 1 38 38 ILE HG23 H 1 0.842 0.030 . 1 . . . . 38 ILE HG2 . 11219 1 447 . 1 1 38 38 ILE C C 13 175.546 0.300 . 1 . . . . 38 ILE C . 11219 1 448 . 1 1 38 38 ILE CA C 13 62.067 0.300 . 1 . . . . 38 ILE CA . 11219 1 449 . 1 1 38 38 ILE CB C 13 38.216 0.300 . 1 . . . . 38 ILE CB . 11219 1 450 . 1 1 38 38 ILE CD1 C 13 11.950 0.300 . 1 . . . . 38 ILE CD1 . 11219 1 451 . 1 1 38 38 ILE CG1 C 13 27.365 0.300 . 1 . . . . 38 ILE CG1 . 11219 1 452 . 1 1 38 38 ILE CG2 C 13 17.243 0.300 . 1 . . . . 38 ILE CG2 . 11219 1 453 . 1 1 38 38 ILE N N 15 126.793 0.300 . 1 . . . . 38 ILE N . 11219 1 454 . 1 1 39 39 ASP H H 1 8.018 0.030 . 1 . . . . 39 ASP H . 11219 1 455 . 1 1 39 39 ASP HA H 1 4.490 0.030 . 1 . . . . 39 ASP HA . 11219 1 456 . 1 1 39 39 ASP HB2 H 1 3.154 0.030 . 2 . . . . 39 ASP HB2 . 11219 1 457 . 1 1 39 39 ASP HB3 H 1 3.111 0.030 . 2 . . . . 39 ASP HB3 . 11219 1 458 . 1 1 39 39 ASP C C 13 175.782 0.300 . 1 . . . . 39 ASP C . 11219 1 459 . 1 1 39 39 ASP CA C 13 53.403 0.300 . 1 . . . . 39 ASP CA . 11219 1 460 . 1 1 39 39 ASP CB C 13 40.097 0.300 . 1 . . . . 39 ASP CB . 11219 1 461 . 1 1 39 39 ASP N N 15 118.627 0.300 . 1 . . . . 39 ASP N . 11219 1 462 . 1 1 40 40 GLN H H 1 8.516 0.030 . 1 . . . . 40 GLN H . 11219 1 463 . 1 1 40 40 GLN HA H 1 3.952 0.030 . 1 . . . . 40 GLN HA . 11219 1 464 . 1 1 40 40 GLN HB2 H 1 2.029 0.030 . 1 . . . . 40 GLN HB2 . 11219 1 465 . 1 1 40 40 GLN HB3 H 1 2.029 0.030 . 1 . . . . 40 GLN HB3 . 11219 1 466 . 1 1 40 40 GLN HE21 H 1 7.530 0.030 . 2 . . . . 40 GLN HE21 . 11219 1 467 . 1 1 40 40 GLN HE22 H 1 6.875 0.030 . 2 . . . . 40 GLN HE22 . 11219 1 468 . 1 1 40 40 GLN HG2 H 1 2.361 0.030 . 1 . . . . 40 GLN HG2 . 11219 1 469 . 1 1 40 40 GLN HG3 H 1 2.361 0.030 . 1 . . . . 40 GLN HG3 . 11219 1 470 . 1 1 40 40 GLN C C 13 175.873 0.300 . 1 . . . . 40 GLN C . 11219 1 471 . 1 1 40 40 GLN CA C 13 58.356 0.300 . 1 . . . . 40 GLN CA . 11219 1 472 . 1 1 40 40 GLN CB C 13 28.614 0.300 . 1 . . . . 40 GLN CB . 11219 1 473 . 1 1 40 40 GLN CG C 13 33.561 0.300 . 1 . . . . 40 GLN CG . 11219 1 474 . 1 1 40 40 GLN N N 15 113.827 0.300 . 1 . . . . 40 GLN N . 11219 1 475 . 1 1 40 40 GLN NE2 N 15 112.373 0.300 . 1 . . . . 40 GLN NE2 . 11219 1 476 . 1 1 41 41 ASN H H 1 8.860 0.030 . 1 . . . . 41 ASN H . 11219 1 477 . 1 1 41 41 ASN HA H 1 4.811 0.030 . 1 . . . . 41 ASN HA . 11219 1 478 . 1 1 41 41 ASN HB2 H 1 2.674 0.030 . 2 . . . . 41 ASN HB2 . 11219 1 479 . 1 1 41 41 ASN HB3 H 1 2.343 0.030 . 2 . . . . 41 ASN HB3 . 11219 1 480 . 1 1 41 41 ASN HD21 H 1 7.856 0.030 . 2 . . . . 41 ASN HD21 . 11219 1 481 . 1 1 41 41 ASN HD22 H 1 6.960 0.030 . 2 . . . . 41 ASN HD22 . 11219 1 482 . 1 1 41 41 ASN C C 13 175.691 0.300 . 1 . . . . 41 ASN C . 11219 1 483 . 1 1 41 41 ASN CA C 13 53.846 0.300 . 1 . . . . 41 ASN CA . 11219 1 484 . 1 1 41 41 ASN CB C 13 41.844 0.300 . 1 . . . . 41 ASN CB . 11219 1 485 . 1 1 41 41 ASN N N 15 114.694 0.300 . 1 . . . . 41 ASN N . 11219 1 486 . 1 1 41 41 ASN ND2 N 15 115.492 0.300 . 1 . . . . 41 ASN ND2 . 11219 1 487 . 1 1 42 42 TRP H H 1 8.071 0.030 . 1 . . . . 42 TRP H . 11219 1 488 . 1 1 42 42 TRP HA H 1 4.879 0.030 . 1 . . . . 42 TRP HA . 11219 1 489 . 1 1 42 42 TRP HB2 H 1 2.868 0.030 . 2 . . . . 42 TRP HB2 . 11219 1 490 . 1 1 42 42 TRP HB3 H 1 2.819 0.030 . 2 . . . . 42 TRP HB3 . 11219 1 491 . 1 1 42 42 TRP HD1 H 1 7.953 0.030 . 1 . . . . 42 TRP HD1 . 11219 1 492 . 1 1 42 42 TRP HE1 H 1 10.198 0.030 . 1 . . . . 42 TRP HE1 . 11219 1 493 . 1 1 42 42 TRP HE3 H 1 7.137 0.030 . 1 . . . . 42 TRP HE3 . 11219 1 494 . 1 1 42 42 TRP HH2 H 1 7.332 0.030 . 1 . . . . 42 TRP HH2 . 11219 1 495 . 1 1 42 42 TRP HZ2 H 1 7.484 0.030 . 1 . . . . 42 TRP HZ2 . 11219 1 496 . 1 1 42 42 TRP HZ3 H 1 6.745 0.030 . 1 . . . . 42 TRP HZ3 . 11219 1 497 . 1 1 42 42 TRP C C 13 175.212 0.300 . 1 . . . . 42 TRP C . 11219 1 498 . 1 1 42 42 TRP CA C 13 57.340 0.300 . 1 . . . . 42 TRP CA . 11219 1 499 . 1 1 42 42 TRP CB C 13 32.560 0.300 . 1 . . . . 42 TRP CB . 11219 1 500 . 1 1 42 42 TRP CD1 C 13 129.716 0.300 . 1 . . . . 42 TRP CD1 . 11219 1 501 . 1 1 42 42 TRP CE3 C 13 119.998 0.300 . 1 . . . . 42 TRP CE3 . 11219 1 502 . 1 1 42 42 TRP CH2 C 13 124.552 0.300 . 1 . . . . 42 TRP CH2 . 11219 1 503 . 1 1 42 42 TRP CZ2 C 13 114.434 0.300 . 1 . . . . 42 TRP CZ2 . 11219 1 504 . 1 1 42 42 TRP CZ3 C 13 120.305 0.300 . 1 . . . . 42 TRP CZ3 . 11219 1 505 . 1 1 42 42 TRP N N 15 121.550 0.300 . 1 . . . . 42 TRP N . 11219 1 506 . 1 1 42 42 TRP NE1 N 15 129.346 0.300 . 1 . . . . 42 TRP NE1 . 11219 1 507 . 1 1 43 43 TYR H H 1 8.778 0.030 . 1 . . . . 43 TYR H . 11219 1 508 . 1 1 43 43 TYR HA H 1 5.159 0.030 . 1 . . . . 43 TYR HA . 11219 1 509 . 1 1 43 43 TYR HB2 H 1 2.626 0.030 . 2 . . . . 43 TYR HB2 . 11219 1 510 . 1 1 43 43 TYR HB3 H 1 1.819 0.030 . 2 . . . . 43 TYR HB3 . 11219 1 511 . 1 1 43 43 TYR HD1 H 1 6.918 0.030 . 1 . . . . 43 TYR HD1 . 11219 1 512 . 1 1 43 43 TYR HD2 H 1 6.918 0.030 . 1 . . . . 43 TYR HD2 . 11219 1 513 . 1 1 43 43 TYR HE1 H 1 6.808 0.030 . 1 . . . . 43 TYR HE1 . 11219 1 514 . 1 1 43 43 TYR HE2 H 1 6.808 0.030 . 1 . . . . 43 TYR HE2 . 11219 1 515 . 1 1 43 43 TYR C C 13 173.820 0.300 . 1 . . . . 43 TYR C . 11219 1 516 . 1 1 43 43 TYR CA C 13 56.347 0.300 . 1 . . . . 43 TYR CA . 11219 1 517 . 1 1 43 43 TYR CB C 13 42.812 0.300 . 1 . . . . 43 TYR CB . 11219 1 518 . 1 1 43 43 TYR CD1 C 13 132.512 0.300 . 1 . . . . 43 TYR CD1 . 11219 1 519 . 1 1 43 43 TYR CD2 C 13 132.512 0.300 . 1 . . . . 43 TYR CD2 . 11219 1 520 . 1 1 43 43 TYR CE1 C 13 118.026 0.300 . 1 . . . . 43 TYR CE1 . 11219 1 521 . 1 1 43 43 TYR CE2 C 13 118.026 0.300 . 1 . . . . 43 TYR CE2 . 11219 1 522 . 1 1 43 43 TYR N N 15 120.202 0.300 . 1 . . . . 43 TYR N . 11219 1 523 . 1 1 44 44 GLU H H 1 8.792 0.030 . 1 . . . . 44 GLU H . 11219 1 524 . 1 1 44 44 GLU HA H 1 5.016 0.030 . 1 . . . . 44 GLU HA . 11219 1 525 . 1 1 44 44 GLU HB2 H 1 2.063 0.030 . 2 . . . . 44 GLU HB2 . 11219 1 526 . 1 1 44 44 GLU HB3 H 1 1.887 0.030 . 2 . . . . 44 GLU HB3 . 11219 1 527 . 1 1 44 44 GLU HG2 H 1 2.072 0.030 . 1 . . . . 44 GLU HG2 . 11219 1 528 . 1 1 44 44 GLU HG3 H 1 2.072 0.030 . 1 . . . . 44 GLU HG3 . 11219 1 529 . 1 1 44 44 GLU C C 13 176.285 0.300 . 1 . . . . 44 GLU C . 11219 1 530 . 1 1 44 44 GLU CA C 13 54.612 0.300 . 1 . . . . 44 GLU CA . 11219 1 531 . 1 1 44 44 GLU CB C 13 34.053 0.300 . 1 . . . . 44 GLU CB . 11219 1 532 . 1 1 44 44 GLU CG C 13 37.762 0.300 . 1 . . . . 44 GLU CG . 11219 1 533 . 1 1 44 44 GLU N N 15 117.907 0.300 . 1 . . . . 44 GLU N . 11219 1 534 . 1 1 45 45 GLY H H 1 9.183 0.030 . 1 . . . . 45 GLY H . 11219 1 535 . 1 1 45 45 GLY HA2 H 1 4.412 0.030 . 2 . . . . 45 GLY HA2 . 11219 1 536 . 1 1 45 45 GLY HA3 H 1 3.936 0.030 . 2 . . . . 45 GLY HA3 . 11219 1 537 . 1 1 45 45 GLY C C 13 169.070 0.300 . 1 . . . . 45 GLY C . 11219 1 538 . 1 1 45 45 GLY CA C 13 46.878 0.300 . 1 . . . . 45 GLY CA . 11219 1 539 . 1 1 45 45 GLY N N 15 115.583 0.300 . 1 . . . . 45 GLY N . 11219 1 540 . 1 1 46 46 GLU H H 1 8.776 0.030 . 1 . . . . 46 GLU H . 11219 1 541 . 1 1 46 46 GLU HA H 1 5.704 0.030 . 1 . . . . 46 GLU HA . 11219 1 542 . 1 1 46 46 GLU HB2 H 1 2.008 0.030 . 2 . . . . 46 GLU HB2 . 11219 1 543 . 1 1 46 46 GLU HB3 H 1 1.832 0.030 . 2 . . . . 46 GLU HB3 . 11219 1 544 . 1 1 46 46 GLU HG2 H 1 2.271 0.030 . 2 . . . . 46 GLU HG2 . 11219 1 545 . 1 1 46 46 GLU HG3 H 1 2.098 0.030 . 2 . . . . 46 GLU HG3 . 11219 1 546 . 1 1 46 46 GLU C C 13 175.188 0.300 . 1 . . . . 46 GLU C . 11219 1 547 . 1 1 46 46 GLU CA C 13 54.292 0.300 . 1 . . . . 46 GLU CA . 11219 1 548 . 1 1 46 46 GLU CB C 13 34.952 0.300 . 1 . . . . 46 GLU CB . 11219 1 549 . 1 1 46 46 GLU CG C 13 35.995 0.300 . 1 . . . . 46 GLU CG . 11219 1 550 . 1 1 46 46 GLU N N 15 118.985 0.300 . 1 . . . . 46 GLU N . 11219 1 551 . 1 1 47 47 HIS H H 1 8.866 0.030 . 1 . . . . 47 HIS H . 11219 1 552 . 1 1 47 47 HIS HA H 1 4.893 0.030 . 1 . . . . 47 HIS HA . 11219 1 553 . 1 1 47 47 HIS HB2 H 1 3.107 0.030 . 2 . . . . 47 HIS HB2 . 11219 1 554 . 1 1 47 47 HIS HB3 H 1 2.936 0.030 . 2 . . . . 47 HIS HB3 . 11219 1 555 . 1 1 47 47 HIS HD2 H 1 7.293 0.030 . 1 . . . . 47 HIS HD2 . 11219 1 556 . 1 1 47 47 HIS HE1 H 1 7.763 0.030 . 1 . . . . 47 HIS HE1 . 11219 1 557 . 1 1 47 47 HIS C C 13 174.654 0.300 . 1 . . . . 47 HIS C . 11219 1 558 . 1 1 47 47 HIS CA C 13 56.476 0.300 . 1 . . . . 47 HIS CA . 11219 1 559 . 1 1 47 47 HIS CB C 13 33.223 0.300 . 1 . . . . 47 HIS CB . 11219 1 560 . 1 1 47 47 HIS CD2 C 13 120.585 0.300 . 1 . . . . 47 HIS CD2 . 11219 1 561 . 1 1 47 47 HIS CE1 C 13 137.259 0.300 . 1 . . . . 47 HIS CE1 . 11219 1 562 . 1 1 47 47 HIS N N 15 121.548 0.300 . 1 . . . . 47 HIS N . 11219 1 563 . 1 1 48 48 HIS H H 1 9.515 0.030 . 1 . . . . 48 HIS H . 11219 1 564 . 1 1 48 48 HIS HA H 1 4.240 0.030 . 1 . . . . 48 HIS HA . 11219 1 565 . 1 1 48 48 HIS HB2 H 1 2.784 0.030 . 2 . . . . 48 HIS HB2 . 11219 1 566 . 1 1 48 48 HIS HB3 H 1 3.269 0.030 . 2 . . . . 48 HIS HB3 . 11219 1 567 . 1 1 48 48 HIS HD2 H 1 6.774 0.030 . 1 . . . . 48 HIS HD2 . 11219 1 568 . 1 1 48 48 HIS HE1 H 1 8.134 0.030 . 1 . . . . 48 HIS HE1 . 11219 1 569 . 1 1 48 48 HIS C C 13 175.182 0.300 . 1 . . . . 48 HIS C . 11219 1 570 . 1 1 48 48 HIS CA C 13 55.861 0.300 . 1 . . . . 48 HIS CA . 11219 1 571 . 1 1 48 48 HIS CB C 13 28.141 0.300 . 1 . . . . 48 HIS CB . 11219 1 572 . 1 1 48 48 HIS CD2 C 13 118.273 0.300 . 1 . . . . 48 HIS CD2 . 11219 1 573 . 1 1 48 48 HIS CE1 C 13 136.996 0.300 . 1 . . . . 48 HIS CE1 . 11219 1 574 . 1 1 48 48 HIS N N 15 126.628 0.300 . 1 . . . . 48 HIS N . 11219 1 575 . 1 1 49 49 GLY H H 1 9.236 0.030 . 1 . . . . 49 GLY H . 11219 1 576 . 1 1 49 49 GLY HA2 H 1 4.187 0.030 . 2 . . . . 49 GLY HA2 . 11219 1 577 . 1 1 49 49 GLY HA3 H 1 3.673 0.030 . 2 . . . . 49 GLY HA3 . 11219 1 578 . 1 1 49 49 GLY C C 13 173.451 0.300 . 1 . . . . 49 GLY C . 11219 1 579 . 1 1 49 49 GLY CA C 13 45.644 0.300 . 1 . . . . 49 GLY CA . 11219 1 580 . 1 1 49 49 GLY N N 15 105.687 0.300 . 1 . . . . 49 GLY N . 11219 1 581 . 1 1 50 50 ARG H H 1 7.899 0.030 . 1 . . . . 50 ARG H . 11219 1 582 . 1 1 50 50 ARG HA H 1 4.675 0.030 . 1 . . . . 50 ARG HA . 11219 1 583 . 1 1 50 50 ARG HB2 H 1 1.984 0.030 . 2 . . . . 50 ARG HB2 . 11219 1 584 . 1 1 50 50 ARG HB3 H 1 1.837 0.030 . 2 . . . . 50 ARG HB3 . 11219 1 585 . 1 1 50 50 ARG HD2 H 1 3.350 0.030 . 2 . . . . 50 ARG HD2 . 11219 1 586 . 1 1 50 50 ARG HD3 H 1 3.206 0.030 . 2 . . . . 50 ARG HD3 . 11219 1 587 . 1 1 50 50 ARG HG2 H 1 1.594 0.030 . 2 . . . . 50 ARG HG2 . 11219 1 588 . 1 1 50 50 ARG HG3 H 1 1.824 0.030 . 2 . . . . 50 ARG HG3 . 11219 1 589 . 1 1 50 50 ARG C C 13 173.716 0.300 . 1 . . . . 50 ARG C . 11219 1 590 . 1 1 50 50 ARG CA C 13 54.971 0.300 . 1 . . . . 50 ARG CA . 11219 1 591 . 1 1 50 50 ARG CB C 13 32.183 0.300 . 1 . . . . 50 ARG CB . 11219 1 592 . 1 1 50 50 ARG CD C 13 43.946 0.300 . 1 . . . . 50 ARG CD . 11219 1 593 . 1 1 50 50 ARG CG C 13 27.353 0.300 . 1 . . . . 50 ARG CG . 11219 1 594 . 1 1 50 50 ARG N N 15 122.910 0.300 . 1 . . . . 50 ARG N . 11219 1 595 . 1 1 51 51 VAL H H 1 8.432 0.030 . 1 . . . . 51 VAL H . 11219 1 596 . 1 1 51 51 VAL HA H 1 5.254 0.030 . 1 . . . . 51 VAL HA . 11219 1 597 . 1 1 51 51 VAL HB H 1 1.978 0.030 . 1 . . . . 51 VAL HB . 11219 1 598 . 1 1 51 51 VAL HG11 H 1 1.021 0.030 . 1 . . . . 51 VAL HG1 . 11219 1 599 . 1 1 51 51 VAL HG12 H 1 1.021 0.030 . 1 . . . . 51 VAL HG1 . 11219 1 600 . 1 1 51 51 VAL HG13 H 1 1.021 0.030 . 1 . . . . 51 VAL HG1 . 11219 1 601 . 1 1 51 51 VAL HG21 H 1 1.004 0.030 . 1 . . . . 51 VAL HG2 . 11219 1 602 . 1 1 51 51 VAL HG22 H 1 1.004 0.030 . 1 . . . . 51 VAL HG2 . 11219 1 603 . 1 1 51 51 VAL HG23 H 1 1.004 0.030 . 1 . . . . 51 VAL HG2 . 11219 1 604 . 1 1 51 51 VAL C C 13 177.374 0.300 . 1 . . . . 51 VAL C . 11219 1 605 . 1 1 51 51 VAL CA C 13 60.244 0.300 . 1 . . . . 51 VAL CA . 11219 1 606 . 1 1 51 51 VAL CB C 13 34.058 0.300 . 1 . . . . 51 VAL CB . 11219 1 607 . 1 1 51 51 VAL CG1 C 13 21.835 0.300 . 2 . . . . 51 VAL CG1 . 11219 1 608 . 1 1 51 51 VAL CG2 C 13 21.083 0.300 . 2 . . . . 51 VAL CG2 . 11219 1 609 . 1 1 51 51 VAL N N 15 123.451 0.300 . 1 . . . . 51 VAL N . 11219 1 610 . 1 1 52 52 GLY H H 1 9.039 0.030 . 1 . . . . 52 GLY H . 11219 1 611 . 1 1 52 52 GLY HA2 H 1 4.481 0.030 . 2 . . . . 52 GLY HA2 . 11219 1 612 . 1 1 52 52 GLY HA3 H 1 4.099 0.030 . 2 . . . . 52 GLY HA3 . 11219 1 613 . 1 1 52 52 GLY C C 13 171.397 0.300 . 1 . . . . 52 GLY C . 11219 1 614 . 1 1 52 52 GLY CA C 13 45.909 0.300 . 1 . . . . 52 GLY CA . 11219 1 615 . 1 1 52 52 GLY N N 15 114.340 0.300 . 1 . . . . 52 GLY N . 11219 1 616 . 1 1 53 53 ILE H H 1 8.494 0.030 . 1 . . . . 53 ILE H . 11219 1 617 . 1 1 53 53 ILE HA H 1 5.970 0.030 . 1 . . . . 53 ILE HA . 11219 1 618 . 1 1 53 53 ILE HB H 1 1.905 0.030 . 1 . . . . 53 ILE HB . 11219 1 619 . 1 1 53 53 ILE HD11 H 1 -0.008 0.030 . 1 . . . . 53 ILE HD1 . 11219 1 620 . 1 1 53 53 ILE HD12 H 1 -0.008 0.030 . 1 . . . . 53 ILE HD1 . 11219 1 621 . 1 1 53 53 ILE HD13 H 1 -0.008 0.030 . 1 . . . . 53 ILE HD1 . 11219 1 622 . 1 1 53 53 ILE HG12 H 1 1.317 0.030 . 2 . . . . 53 ILE HG12 . 11219 1 623 . 1 1 53 53 ILE HG13 H 1 0.800 0.030 . 2 . . . . 53 ILE HG13 . 11219 1 624 . 1 1 53 53 ILE HG21 H 1 0.808 0.030 . 1 . . . . 53 ILE HG2 . 11219 1 625 . 1 1 53 53 ILE HG22 H 1 0.808 0.030 . 1 . . . . 53 ILE HG2 . 11219 1 626 . 1 1 53 53 ILE HG23 H 1 0.808 0.030 . 1 . . . . 53 ILE HG2 . 11219 1 627 . 1 1 53 53 ILE C C 13 176.173 0.300 . 1 . . . . 53 ILE C . 11219 1 628 . 1 1 53 53 ILE CA C 13 59.520 0.300 . 1 . . . . 53 ILE CA . 11219 1 629 . 1 1 53 53 ILE CB C 13 41.086 0.300 . 1 . . . . 53 ILE CB . 11219 1 630 . 1 1 53 53 ILE CD1 C 13 12.598 0.300 . 1 . . . . 53 ILE CD1 . 11219 1 631 . 1 1 53 53 ILE CG1 C 13 25.958 0.300 . 1 . . . . 53 ILE CG1 . 11219 1 632 . 1 1 53 53 ILE CG2 C 13 17.549 0.300 . 1 . . . . 53 ILE CG2 . 11219 1 633 . 1 1 53 53 ILE N N 15 112.762 0.300 . 1 . . . . 53 ILE N . 11219 1 634 . 1 1 54 54 PHE H H 1 8.446 0.030 . 1 . . . . 54 PHE H . 11219 1 635 . 1 1 54 54 PHE HA H 1 5.030 0.030 . 1 . . . . 54 PHE HA . 11219 1 636 . 1 1 54 54 PHE HB2 H 1 2.406 0.030 . 2 . . . . 54 PHE HB2 . 11219 1 637 . 1 1 54 54 PHE HB3 H 1 3.505 0.030 . 2 . . . . 54 PHE HB3 . 11219 1 638 . 1 1 54 54 PHE HD1 H 1 6.907 0.030 . 1 . . . . 54 PHE HD1 . 11219 1 639 . 1 1 54 54 PHE HD2 H 1 6.907 0.030 . 1 . . . . 54 PHE HD2 . 11219 1 640 . 1 1 54 54 PHE HE1 H 1 6.789 0.030 . 1 . . . . 54 PHE HE1 . 11219 1 641 . 1 1 54 54 PHE HE2 H 1 6.789 0.030 . 1 . . . . 54 PHE HE2 . 11219 1 642 . 1 1 54 54 PHE HZ H 1 6.677 0.030 . 1 . . . . 54 PHE HZ . 11219 1 643 . 1 1 54 54 PHE C C 13 171.860 0.300 . 1 . . . . 54 PHE C . 11219 1 644 . 1 1 54 54 PHE CA C 13 54.446 0.300 . 1 . . . . 54 PHE CA . 11219 1 645 . 1 1 54 54 PHE CB C 13 37.512 0.300 . 1 . . . . 54 PHE CB . 11219 1 646 . 1 1 54 54 PHE CD1 C 13 133.491 0.300 . 1 . . . . 54 PHE CD1 . 11219 1 647 . 1 1 54 54 PHE CD2 C 13 133.491 0.300 . 1 . . . . 54 PHE CD2 . 11219 1 648 . 1 1 54 54 PHE CE1 C 13 129.997 0.300 . 1 . . . . 54 PHE CE1 . 11219 1 649 . 1 1 54 54 PHE CE2 C 13 129.997 0.300 . 1 . . . . 54 PHE CE2 . 11219 1 650 . 1 1 54 54 PHE CZ C 13 127.981 0.300 . 1 . . . . 54 PHE CZ . 11219 1 651 . 1 1 54 54 PHE N N 15 116.317 0.300 . 1 . . . . 54 PHE N . 11219 1 652 . 1 1 55 55 PRO HA H 1 3.975 0.030 . 1 . . . . 55 PRO HA . 11219 1 653 . 1 1 55 55 PRO HB2 H 1 1.363 0.030 . 2 . . . . 55 PRO HB2 . 11219 1 654 . 1 1 55 55 PRO HB3 H 1 1.496 0.030 . 2 . . . . 55 PRO HB3 . 11219 1 655 . 1 1 55 55 PRO HD2 H 1 2.077 0.030 . 2 . . . . 55 PRO HD2 . 11219 1 656 . 1 1 55 55 PRO HD3 H 1 2.125 0.030 . 2 . . . . 55 PRO HD3 . 11219 1 657 . 1 1 55 55 PRO HG2 H 1 0.689 0.030 . 2 . . . . 55 PRO HG2 . 11219 1 658 . 1 1 55 55 PRO HG3 H 1 0.546 0.030 . 2 . . . . 55 PRO HG3 . 11219 1 659 . 1 1 55 55 PRO C C 13 178.290 0.300 . 1 . . . . 55 PRO C . 11219 1 660 . 1 1 55 55 PRO CA C 13 61.774 0.300 . 1 . . . . 55 PRO CA . 11219 1 661 . 1 1 55 55 PRO CB C 13 31.618 0.300 . 1 . . . . 55 PRO CB . 11219 1 662 . 1 1 55 55 PRO CD C 13 50.037 0.300 . 1 . . . . 55 PRO CD . 11219 1 663 . 1 1 55 55 PRO CG C 13 27.666 0.300 . 1 . . . . 55 PRO CG . 11219 1 664 . 1 1 56 56 ARG H H 1 7.934 0.030 . 1 . . . . 56 ARG H . 11219 1 665 . 1 1 56 56 ARG HA H 1 4.001 0.030 . 1 . . . . 56 ARG HA . 11219 1 666 . 1 1 56 56 ARG HB2 H 1 1.499 0.030 . 2 . . . . 56 ARG HB2 . 11219 1 667 . 1 1 56 56 ARG HB3 H 1 1.231 0.030 . 2 . . . . 56 ARG HB3 . 11219 1 668 . 1 1 56 56 ARG HD2 H 1 2.880 0.030 . 2 . . . . 56 ARG HD2 . 11219 1 669 . 1 1 56 56 ARG HD3 H 1 2.943 0.030 . 2 . . . . 56 ARG HD3 . 11219 1 670 . 1 1 56 56 ARG HG2 H 1 1.227 0.030 . 2 . . . . 56 ARG HG2 . 11219 1 671 . 1 1 56 56 ARG HG3 H 1 0.983 0.030 . 2 . . . . 56 ARG HG3 . 11219 1 672 . 1 1 56 56 ARG C C 13 178.263 0.300 . 1 . . . . 56 ARG C . 11219 1 673 . 1 1 56 56 ARG CA C 13 58.695 0.300 . 1 . . . . 56 ARG CA . 11219 1 674 . 1 1 56 56 ARG CB C 13 30.270 0.300 . 1 . . . . 56 ARG CB . 11219 1 675 . 1 1 56 56 ARG CD C 13 43.369 0.300 . 1 . . . . 56 ARG CD . 11219 1 676 . 1 1 56 56 ARG CG C 13 26.247 0.300 . 1 . . . . 56 ARG CG . 11219 1 677 . 1 1 56 56 ARG N N 15 122.144 0.300 . 1 . . . . 56 ARG N . 11219 1 678 . 1 1 57 57 THR H H 1 7.943 0.030 . 1 . . . . 57 THR H . 11219 1 679 . 1 1 57 57 THR HA H 1 4.237 0.030 . 1 . . . . 57 THR HA . 11219 1 680 . 1 1 57 57 THR HB H 1 4.462 0.030 . 1 . . . . 57 THR HB . 11219 1 681 . 1 1 57 57 THR HG21 H 1 1.269 0.030 . 1 . . . . 57 THR HG2 . 11219 1 682 . 1 1 57 57 THR HG22 H 1 1.269 0.030 . 1 . . . . 57 THR HG2 . 11219 1 683 . 1 1 57 57 THR HG23 H 1 1.269 0.030 . 1 . . . . 57 THR HG2 . 11219 1 684 . 1 1 57 57 THR C C 13 175.423 0.300 . 1 . . . . 57 THR C . 11219 1 685 . 1 1 57 57 THR CA C 13 63.114 0.300 . 1 . . . . 57 THR CA . 11219 1 686 . 1 1 57 57 THR CB C 13 69.159 0.300 . 1 . . . . 57 THR CB . 11219 1 687 . 1 1 57 57 THR CG2 C 13 22.347 0.300 . 1 . . . . 57 THR CG2 . 11219 1 688 . 1 1 57 57 THR N N 15 105.470 0.300 . 1 . . . . 57 THR N . 11219 1 689 . 1 1 58 58 TYR H H 1 7.674 0.030 . 1 . . . . 58 TYR H . 11219 1 690 . 1 1 58 58 TYR HA H 1 4.607 0.030 . 1 . . . . 58 TYR HA . 11219 1 691 . 1 1 58 58 TYR HB2 H 1 3.304 0.030 . 2 . . . . 58 TYR HB2 . 11219 1 692 . 1 1 58 58 TYR HB3 H 1 3.013 0.030 . 2 . . . . 58 TYR HB3 . 11219 1 693 . 1 1 58 58 TYR HD1 H 1 7.168 0.030 . 1 . . . . 58 TYR HD1 . 11219 1 694 . 1 1 58 58 TYR HD2 H 1 7.168 0.030 . 1 . . . . 58 TYR HD2 . 11219 1 695 . 1 1 58 58 TYR HE1 H 1 7.052 0.030 . 1 . . . . 58 TYR HE1 . 11219 1 696 . 1 1 58 58 TYR HE2 H 1 7.052 0.030 . 1 . . . . 58 TYR HE2 . 11219 1 697 . 1 1 58 58 TYR C C 13 174.964 0.300 . 1 . . . . 58 TYR C . 11219 1 698 . 1 1 58 58 TYR CA C 13 58.847 0.300 . 1 . . . . 58 TYR CA . 11219 1 699 . 1 1 58 58 TYR CB C 13 38.102 0.300 . 1 . . . . 58 TYR CB . 11219 1 700 . 1 1 58 58 TYR CD1 C 13 132.393 0.300 . 1 . . . . 58 TYR CD1 . 11219 1 701 . 1 1 58 58 TYR CD2 C 13 132.393 0.300 . 1 . . . . 58 TYR CD2 . 11219 1 702 . 1 1 58 58 TYR CE1 C 13 118.525 0.300 . 1 . . . . 58 TYR CE1 . 11219 1 703 . 1 1 58 58 TYR CE2 C 13 118.525 0.300 . 1 . . . . 58 TYR CE2 . 11219 1 704 . 1 1 58 58 TYR N N 15 119.055 0.300 . 1 . . . . 58 TYR N . 11219 1 705 . 1 1 59 59 ILE H H 1 7.437 0.030 . 1 . . . . 59 ILE H . 11219 1 706 . 1 1 59 59 ILE HA H 1 5.176 0.030 . 1 . . . . 59 ILE HA . 11219 1 707 . 1 1 59 59 ILE HB H 1 1.838 0.030 . 1 . . . . 59 ILE HB . 11219 1 708 . 1 1 59 59 ILE HD11 H 1 0.649 0.030 . 1 . . . . 59 ILE HD1 . 11219 1 709 . 1 1 59 59 ILE HD12 H 1 0.649 0.030 . 1 . . . . 59 ILE HD1 . 11219 1 710 . 1 1 59 59 ILE HD13 H 1 0.649 0.030 . 1 . . . . 59 ILE HD1 . 11219 1 711 . 1 1 59 59 ILE HG12 H 1 1.620 0.030 . 2 . . . . 59 ILE HG12 . 11219 1 712 . 1 1 59 59 ILE HG13 H 1 1.339 0.030 . 2 . . . . 59 ILE HG13 . 11219 1 713 . 1 1 59 59 ILE HG21 H 1 0.621 0.030 . 1 . . . . 59 ILE HG2 . 11219 1 714 . 1 1 59 59 ILE HG22 H 1 0.621 0.030 . 1 . . . . 59 ILE HG2 . 11219 1 715 . 1 1 59 59 ILE HG23 H 1 0.621 0.030 . 1 . . . . 59 ILE HG2 . 11219 1 716 . 1 1 59 59 ILE C C 13 174.301 0.300 . 1 . . . . 59 ILE C . 11219 1 717 . 1 1 59 59 ILE CA C 13 57.442 0.300 . 1 . . . . 59 ILE CA . 11219 1 718 . 1 1 59 59 ILE CB C 13 42.356 0.300 . 1 . . . . 59 ILE CB . 11219 1 719 . 1 1 59 59 ILE CD1 C 13 13.442 0.300 . 1 . . . . 59 ILE CD1 . 11219 1 720 . 1 1 59 59 ILE CG1 C 13 26.818 0.300 . 1 . . . . 59 ILE CG1 . 11219 1 721 . 1 1 59 59 ILE CG2 C 13 20.476 0.300 . 1 . . . . 59 ILE CG2 . 11219 1 722 . 1 1 59 59 ILE N N 15 113.392 0.300 . 1 . . . . 59 ILE N . 11219 1 723 . 1 1 60 60 GLU H H 1 8.823 0.030 . 1 . . . . 60 GLU H . 11219 1 724 . 1 1 60 60 GLU HA H 1 4.707 0.030 . 1 . . . . 60 GLU HA . 11219 1 725 . 1 1 60 60 GLU HB2 H 1 1.919 0.030 . 2 . . . . 60 GLU HB2 . 11219 1 726 . 1 1 60 60 GLU HB3 H 1 1.784 0.030 . 2 . . . . 60 GLU HB3 . 11219 1 727 . 1 1 60 60 GLU HG2 H 1 2.143 0.030 . 1 . . . . 60 GLU HG2 . 11219 1 728 . 1 1 60 60 GLU HG3 H 1 2.143 0.030 . 1 . . . . 60 GLU HG3 . 11219 1 729 . 1 1 60 60 GLU C C 13 175.330 0.300 . 1 . . . . 60 GLU C . 11219 1 730 . 1 1 60 60 GLU CA C 13 53.823 0.300 . 1 . . . . 60 GLU CA . 11219 1 731 . 1 1 60 60 GLU CB C 13 32.638 0.300 . 1 . . . . 60 GLU CB . 11219 1 732 . 1 1 60 60 GLU CG C 13 35.568 0.300 . 1 . . . . 60 GLU CG . 11219 1 733 . 1 1 60 60 GLU N N 15 121.796 0.300 . 1 . . . . 60 GLU N . 11219 1 734 . 1 1 61 61 LEU H H 1 8.812 0.030 . 1 . . . . 61 LEU H . 11219 1 735 . 1 1 61 61 LEU HA H 1 4.153 0.030 . 1 . . . . 61 LEU HA . 11219 1 736 . 1 1 61 61 LEU HB2 H 1 1.713 0.030 . 2 . . . . 61 LEU HB2 . 11219 1 737 . 1 1 61 61 LEU HB3 H 1 1.498 0.030 . 2 . . . . 61 LEU HB3 . 11219 1 738 . 1 1 61 61 LEU HD11 H 1 0.901 0.030 . 1 . . . . 61 LEU HD1 . 11219 1 739 . 1 1 61 61 LEU HD12 H 1 0.901 0.030 . 1 . . . . 61 LEU HD1 . 11219 1 740 . 1 1 61 61 LEU HD13 H 1 0.901 0.030 . 1 . . . . 61 LEU HD1 . 11219 1 741 . 1 1 61 61 LEU HD21 H 1 0.699 0.030 . 1 . . . . 61 LEU HD2 . 11219 1 742 . 1 1 61 61 LEU HD22 H 1 0.699 0.030 . 1 . . . . 61 LEU HD2 . 11219 1 743 . 1 1 61 61 LEU HD23 H 1 0.699 0.030 . 1 . . . . 61 LEU HD2 . 11219 1 744 . 1 1 61 61 LEU HG H 1 1.652 0.030 . 1 . . . . 61 LEU HG . 11219 1 745 . 1 1 61 61 LEU C C 13 177.514 0.300 . 1 . . . . 61 LEU C . 11219 1 746 . 1 1 61 61 LEU CA C 13 55.852 0.300 . 1 . . . . 61 LEU CA . 11219 1 747 . 1 1 61 61 LEU CB C 13 41.613 0.300 . 1 . . . . 61 LEU CB . 11219 1 748 . 1 1 61 61 LEU CD1 C 13 25.248 0.300 . 2 . . . . 61 LEU CD1 . 11219 1 749 . 1 1 61 61 LEU CD2 C 13 23.307 0.300 . 2 . . . . 61 LEU CD2 . 11219 1 750 . 1 1 61 61 LEU CG C 13 27.356 0.300 . 1 . . . . 61 LEU CG . 11219 1 751 . 1 1 61 61 LEU N N 15 126.496 0.300 . 1 . . . . 61 LEU N . 11219 1 752 . 1 1 62 62 LEU H H 1 7.951 0.030 . 1 . . . . 62 LEU H . 11219 1 753 . 1 1 62 62 LEU HA H 1 4.490 0.030 . 1 . . . . 62 LEU HA . 11219 1 754 . 1 1 62 62 LEU HB2 H 1 1.594 0.030 . 2 . . . . 62 LEU HB2 . 11219 1 755 . 1 1 62 62 LEU HB3 H 1 1.468 0.030 . 2 . . . . 62 LEU HB3 . 11219 1 756 . 1 1 62 62 LEU HD11 H 1 0.778 0.030 . 1 . . . . 62 LEU HD1 . 11219 1 757 . 1 1 62 62 LEU HD12 H 1 0.778 0.030 . 1 . . . . 62 LEU HD1 . 11219 1 758 . 1 1 62 62 LEU HD13 H 1 0.778 0.030 . 1 . . . . 62 LEU HD1 . 11219 1 759 . 1 1 62 62 LEU HD21 H 1 0.778 0.030 . 1 . . . . 62 LEU HD2 . 11219 1 760 . 1 1 62 62 LEU HD22 H 1 0.778 0.030 . 1 . . . . 62 LEU HD2 . 11219 1 761 . 1 1 62 62 LEU HD23 H 1 0.778 0.030 . 1 . . . . 62 LEU HD2 . 11219 1 762 . 1 1 62 62 LEU HG H 1 1.500 0.030 . 1 . . . . 62 LEU HG . 11219 1 763 . 1 1 62 62 LEU C C 13 177.307 0.300 . 1 . . . . 62 LEU C . 11219 1 764 . 1 1 62 62 LEU CA C 13 54.719 0.300 . 1 . . . . 62 LEU CA . 11219 1 765 . 1 1 62 62 LEU CB C 13 42.086 0.300 . 1 . . . . 62 LEU CB . 11219 1 766 . 1 1 62 62 LEU CD1 C 13 25.438 0.300 . 2 . . . . 62 LEU CD1 . 11219 1 767 . 1 1 62 62 LEU CD2 C 13 22.703 0.300 . 2 . . . . 62 LEU CD2 . 11219 1 768 . 1 1 62 62 LEU CG C 13 27.329 0.300 . 1 . . . . 62 LEU CG . 11219 1 769 . 1 1 62 62 LEU N N 15 122.358 0.300 . 1 . . . . 62 LEU N . 11219 1 770 . 1 1 63 63 SER H H 1 8.342 0.030 . 1 . . . . 63 SER H . 11219 1 771 . 1 1 63 63 SER HA H 1 4.517 0.030 . 1 . . . . 63 SER HA . 11219 1 772 . 1 1 63 63 SER HB2 H 1 3.825 0.030 . 1 . . . . 63 SER HB2 . 11219 1 773 . 1 1 63 63 SER HB3 H 1 3.825 0.030 . 1 . . . . 63 SER HB3 . 11219 1 774 . 1 1 63 63 SER C C 13 174.276 0.300 . 1 . . . . 63 SER C . 11219 1 775 . 1 1 63 63 SER CA C 13 58.329 0.300 . 1 . . . . 63 SER CA . 11219 1 776 . 1 1 63 63 SER CB C 13 63.992 0.300 . 1 . . . . 63 SER CB . 11219 1 777 . 1 1 63 63 SER N N 15 115.901 0.300 . 1 . . . . 63 SER N . 11219 1 778 . 1 1 64 64 GLY H H 1 8.225 0.030 . 1 . . . . 64 GLY H . 11219 1 779 . 1 1 64 64 GLY HA2 H 1 4.168 0.030 . 2 . . . . 64 GLY HA2 . 11219 1 780 . 1 1 64 64 GLY HA3 H 1 4.131 0.030 . 2 . . . . 64 GLY HA3 . 11219 1 781 . 1 1 64 64 GLY C C 13 173.182 0.300 . 1 . . . . 64 GLY C . 11219 1 782 . 1 1 64 64 GLY CA C 13 44.676 0.300 . 1 . . . . 64 GLY CA . 11219 1 783 . 1 1 64 64 GLY N N 15 110.327 0.300 . 1 . . . . 64 GLY N . 11219 1 784 . 1 1 65 65 PRO HA H 1 4.488 0.030 . 1 . . . . 65 PRO HA . 11219 1 785 . 1 1 65 65 PRO HB2 H 1 2.323 0.030 . 2 . . . . 65 PRO HB2 . 11219 1 786 . 1 1 65 65 PRO HB3 H 1 2.004 0.030 . 2 . . . . 65 PRO HB3 . 11219 1 787 . 1 1 65 65 PRO HD2 H 1 3.649 0.030 . 1 . . . . 65 PRO HD2 . 11219 1 788 . 1 1 65 65 PRO HD3 H 1 3.649 0.030 . 1 . . . . 65 PRO HD3 . 11219 1 789 . 1 1 65 65 PRO HG2 H 1 2.050 0.030 . 1 . . . . 65 PRO HG2 . 11219 1 790 . 1 1 65 65 PRO HG3 H 1 2.050 0.030 . 1 . . . . 65 PRO HG3 . 11219 1 791 . 1 1 65 65 PRO CA C 13 63.335 0.300 . 1 . . . . 65 PRO CA . 11219 1 792 . 1 1 65 65 PRO CB C 13 32.218 0.300 . 1 . . . . 65 PRO CB . 11219 1 793 . 1 1 65 65 PRO CD C 13 49.752 0.300 . 1 . . . . 65 PRO CD . 11219 1 794 . 1 1 65 65 PRO CG C 13 27.179 0.300 . 1 . . . . 65 PRO CG . 11219 1 795 . 1 1 66 66 SER H H 1 8.296 0.030 . 1 . . . . 66 SER H . 11219 1 796 . 1 1 66 66 SER HA H 1 4.419 0.030 . 1 . . . . 66 SER HA . 11219 1 797 . 1 1 66 66 SER HB2 H 1 3.680 0.030 . 1 . . . . 66 SER HB2 . 11219 1 798 . 1 1 66 66 SER HB3 H 1 3.680 0.030 . 1 . . . . 66 SER HB3 . 11219 1 799 . 1 1 66 66 SER C C 13 174.502 0.300 . 1 . . . . 66 SER C . 11219 1 800 . 1 1 66 66 SER CA C 13 58.362 0.300 . 1 . . . . 66 SER CA . 11219 1 801 . 1 1 66 66 SER CB C 13 63.836 0.300 . 1 . . . . 66 SER CB . 11219 1 802 . 1 1 67 67 SER H H 1 8.277 0.030 . 1 . . . . 67 SER H . 11219 1 803 . 1 1 67 67 SER HA H 1 4.498 0.030 . 1 . . . . 67 SER HA . 11219 1 804 . 1 1 67 67 SER HB2 H 1 3.911 0.030 . 1 . . . . 67 SER HB2 . 11219 1 805 . 1 1 67 67 SER HB3 H 1 3.911 0.030 . 1 . . . . 67 SER HB3 . 11219 1 806 . 1 1 67 67 SER C C 13 173.873 0.300 . 1 . . . . 67 SER C . 11219 1 807 . 1 1 67 67 SER CA C 13 58.401 0.300 . 1 . . . . 67 SER CA . 11219 1 808 . 1 1 67 67 SER CB C 13 64.050 0.300 . 1 . . . . 67 SER CB . 11219 1 809 . 1 1 67 67 SER N N 15 117.539 0.300 . 1 . . . . 67 SER N . 11219 1 810 . 1 1 68 68 GLY H H 1 8.044 0.030 . 1 . . . . 68 GLY H . 11219 1 811 . 1 1 68 68 GLY HA2 H 1 3.818 0.030 . 2 . . . . 68 GLY HA2 . 11219 1 812 . 1 1 68 68 GLY HA3 H 1 3.763 0.030 . 2 . . . . 68 GLY HA3 . 11219 1 813 . 1 1 68 68 GLY C C 13 178.952 0.300 . 1 . . . . 68 GLY C . 11219 1 814 . 1 1 68 68 GLY CA C 13 46.278 0.300 . 1 . . . . 68 GLY CA . 11219 1 815 . 1 1 68 68 GLY N N 15 116.795 0.300 . 1 . . . . 68 GLY N . 11219 1 stop_ save_