data_11242 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11242 _Entry.Title ; Solution structure of the first SH3 domain of human vinexin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-23 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-08-03 _Entry.Original_release_date 2011-08-03 _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 H. Zhang . . . 11242 2 K. Izumi . . . 11242 3 M. Yoshida . . . 11242 4 F. Hayashi . . . 11242 5 S. Yokoyama . . . 11242 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)' . 11242 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11242 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 277 11242 '15N chemical shifts' 61 11242 '1H chemical shifts' 435 11242 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 . . 2011-08-03 2010-07-23 original author . 11242 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DLM 'BMRB Entry Tracking System' 11242 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11242 _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 vinexin' _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 H. Zhang . . . 11242 1 2 K. Izumi . . . 11242 1 3 M. Yoshida . . . 11242 1 4 F. Hayashi . . . 11242 1 5 S. Yokoyama . . . 11242 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11242 _Assembly.ID 1 _Assembly.Name Vinexin _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 Vinexin 1 $entity_1 A . yes native no no . . . 11242 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 2dlm . . . . . . 11242 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11242 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 domain, residues 8-62' _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 ; GSSGSSGKAARLKFDFQAQS PKELTLQKGDIVYIHKEVDK NWLEGEHHGRLGIFPANYVE VLSGPSSG ; _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 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 BMRB 15129 . Vinexin . . . . . 80.88 65 100.00 100.00 4.24e-32 . . . . 11242 1 no PDB 2DLM . "Solution Structure Of The First Sh3 Domain Of Human Vinexin" . . . . . 100.00 68 100.00 100.00 4.50e-41 . . . . 11242 1 no PDB 2NWM . "Solution Structure Of The First Sh3 Domain Of Human Vinexin And Its Interaction With The Peptides From Vinculin" . . . . . 80.88 65 100.00 100.00 4.24e-32 . . . . 11242 1 no REF XP_004332006 . "PREDICTED: vinexin-like, partial [Tursiops truncatus]" . . . . . 77.94 93 98.11 100.00 2.91e-30 . . . . 11242 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain, residues 8-62' . 11242 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 . 11242 1 2 . SER . 11242 1 3 . SER . 11242 1 4 . GLY . 11242 1 5 . SER . 11242 1 6 . SER . 11242 1 7 . GLY . 11242 1 8 . LYS . 11242 1 9 . ALA . 11242 1 10 . ALA . 11242 1 11 . ARG . 11242 1 12 . LEU . 11242 1 13 . LYS . 11242 1 14 . PHE . 11242 1 15 . ASP . 11242 1 16 . PHE . 11242 1 17 . GLN . 11242 1 18 . ALA . 11242 1 19 . GLN . 11242 1 20 . SER . 11242 1 21 . PRO . 11242 1 22 . LYS . 11242 1 23 . GLU . 11242 1 24 . LEU . 11242 1 25 . THR . 11242 1 26 . LEU . 11242 1 27 . GLN . 11242 1 28 . LYS . 11242 1 29 . GLY . 11242 1 30 . ASP . 11242 1 31 . ILE . 11242 1 32 . VAL . 11242 1 33 . TYR . 11242 1 34 . ILE . 11242 1 35 . HIS . 11242 1 36 . LYS . 11242 1 37 . GLU . 11242 1 38 . VAL . 11242 1 39 . ASP . 11242 1 40 . LYS . 11242 1 41 . ASN . 11242 1 42 . TRP . 11242 1 43 . LEU . 11242 1 44 . GLU . 11242 1 45 . GLY . 11242 1 46 . GLU . 11242 1 47 . HIS . 11242 1 48 . HIS . 11242 1 49 . GLY . 11242 1 50 . ARG . 11242 1 51 . LEU . 11242 1 52 . GLY . 11242 1 53 . ILE . 11242 1 54 . PHE . 11242 1 55 . PRO . 11242 1 56 . ALA . 11242 1 57 . ASN . 11242 1 58 . TYR . 11242 1 59 . VAL . 11242 1 60 . GLU . 11242 1 61 . VAL . 11242 1 62 . LEU . 11242 1 63 . SER . 11242 1 64 . GLY . 11242 1 65 . PRO . 11242 1 66 . SER . 11242 1 67 . SER . 11242 1 68 . GLY . 11242 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 11242 1 . SER 2 2 11242 1 . SER 3 3 11242 1 . GLY 4 4 11242 1 . SER 5 5 11242 1 . SER 6 6 11242 1 . GLY 7 7 11242 1 . LYS 8 8 11242 1 . ALA 9 9 11242 1 . ALA 10 10 11242 1 . ARG 11 11 11242 1 . LEU 12 12 11242 1 . LYS 13 13 11242 1 . PHE 14 14 11242 1 . ASP 15 15 11242 1 . PHE 16 16 11242 1 . GLN 17 17 11242 1 . ALA 18 18 11242 1 . GLN 19 19 11242 1 . SER 20 20 11242 1 . PRO 21 21 11242 1 . LYS 22 22 11242 1 . GLU 23 23 11242 1 . LEU 24 24 11242 1 . THR 25 25 11242 1 . LEU 26 26 11242 1 . GLN 27 27 11242 1 . LYS 28 28 11242 1 . GLY 29 29 11242 1 . ASP 30 30 11242 1 . ILE 31 31 11242 1 . VAL 32 32 11242 1 . TYR 33 33 11242 1 . ILE 34 34 11242 1 . HIS 35 35 11242 1 . LYS 36 36 11242 1 . GLU 37 37 11242 1 . VAL 38 38 11242 1 . ASP 39 39 11242 1 . LYS 40 40 11242 1 . ASN 41 41 11242 1 . TRP 42 42 11242 1 . LEU 43 43 11242 1 . GLU 44 44 11242 1 . GLY 45 45 11242 1 . GLU 46 46 11242 1 . HIS 47 47 11242 1 . HIS 48 48 11242 1 . GLY 49 49 11242 1 . ARG 50 50 11242 1 . LEU 51 51 11242 1 . GLY 52 52 11242 1 . ILE 53 53 11242 1 . PHE 54 54 11242 1 . PRO 55 55 11242 1 . ALA 56 56 11242 1 . ASN 57 57 11242 1 . TYR 58 58 11242 1 . VAL 59 59 11242 1 . GLU 60 60 11242 1 . VAL 61 61 11242 1 . LEU 62 62 11242 1 . SER 63 63 11242 1 . GLY 64 64 11242 1 . PRO 65 65 11242 1 . SER 66 66 11242 1 . SER 67 67 11242 1 . GLY 68 68 11242 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 11242 _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 . . . . . . . . . . . . . . . . . . . . . 11242 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 11242 _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 . . P050516-12 . . . . . . 11242 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11242 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.89mM 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, residues 8-62' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.89 . . mM . . . . 11242 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11242 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11242 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11242 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11242 1 6 H2O . . . . . . solvent 90 . . % . . . . 11242 1 7 D2O . . . . . . solvent 10 . . % . . . . 11242 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 11242 _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 11242 1 pH 7.0 0.05 pH 11242 1 pressure 1 0.001 atm 11242 1 temperature 298 0.1 K 11242 1 stop_ save_ ############################ # Computer software used # ############################ save_Delta_NMR _Software.Sf_category software _Software.Sf_framecode Delta_NMR _Software.Entry_ID 11242 _Software.ID 1 _Software.Name Delta _Software.Version 4.3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID JEOL . . 11242 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11242 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11242 _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.' . . 11242 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11242 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11242 _Software.ID 3 _Software.Name NMRView _Software.Version 5.04 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11242 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11242 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11242 _Software.ID 4 _Software.Name Kujira _Software.Version 0.93191 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11242 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11242 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11242 _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 'Guntent, P.' . . 11242 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11242 5 'structure solution' 11242 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 11242 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer JEOL _NMR_spectrometer.Model ECA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 11242 _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 . 700 . . . 11242 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 11242 _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 . . . . . . . . . . . . . . . . 11242 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11242 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 11242 _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 . . . . . . . . . 11242 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11242 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11242 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 11242 _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 11242 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11242 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 . . 11242 1 2 $NMRPipe . . 11242 1 3 $NMRview . . 11242 1 4 $Kujira . . 11242 1 5 $CYANA . . 11242 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY H H 1 8.364 0.030 . 1 . . . . 7 GLY H . 11242 1 2 . 1 1 7 7 GLY HA2 H 1 3.879 0.030 . 1 . . . . 7 GLY HA2 . 11242 1 3 . 1 1 7 7 GLY HA3 H 1 3.879 0.030 . 1 . . . . 7 GLY HA3 . 11242 1 4 . 1 1 7 7 GLY CA C 13 42.731 0.300 . 1 . . . . 7 GLY CA . 11242 1 5 . 1 1 7 7 GLY N N 15 110.626 0.300 . 1 . . . . 7 GLY N . 11242 1 6 . 1 1 8 8 LYS HA H 1 4.530 0.030 . 1 . . . . 8 LYS HA . 11242 1 7 . 1 1 8 8 LYS HB2 H 1 1.718 0.030 . 2 . . . . 8 LYS HB2 . 11242 1 8 . 1 1 8 8 LYS HB3 H 1 1.869 0.030 . 2 . . . . 8 LYS HB3 . 11242 1 9 . 1 1 8 8 LYS HD2 H 1 1.546 0.030 . 2 . . . . 8 LYS HD2 . 11242 1 10 . 1 1 8 8 LYS HD3 H 1 1.610 0.030 . 2 . . . . 8 LYS HD3 . 11242 1 11 . 1 1 8 8 LYS HE2 H 1 2.900 0.030 . 1 . . . . 8 LYS HE2 . 11242 1 12 . 1 1 8 8 LYS HE3 H 1 2.900 0.030 . 1 . . . . 8 LYS HE3 . 11242 1 13 . 1 1 8 8 LYS HG2 H 1 1.338 0.030 . 2 . . . . 8 LYS HG2 . 11242 1 14 . 1 1 8 8 LYS HG3 H 1 1.278 0.030 . 2 . . . . 8 LYS HG3 . 11242 1 15 . 1 1 8 8 LYS CA C 13 52.699 0.300 . 1 . . . . 8 LYS CA . 11242 1 16 . 1 1 8 8 LYS CB C 13 31.713 0.300 . 1 . . . . 8 LYS CB . 11242 1 17 . 1 1 8 8 LYS CD C 13 26.656 0.300 . 1 . . . . 8 LYS CD . 11242 1 18 . 1 1 8 8 LYS CE C 13 39.778 0.300 . 1 . . . . 8 LYS CE . 11242 1 19 . 1 1 8 8 LYS CG C 13 22.349 0.300 . 1 . . . . 8 LYS CG . 11242 1 20 . 1 1 9 9 ALA H H 1 8.456 0.030 . 1 . . . . 9 ALA H . 11242 1 21 . 1 1 9 9 ALA HA H 1 4.715 0.030 . 1 . . . . 9 ALA HA . 11242 1 22 . 1 1 9 9 ALA HB1 H 1 1.201 0.030 . 1 . . . . 9 ALA HB . 11242 1 23 . 1 1 9 9 ALA HB2 H 1 1.201 0.030 . 1 . . . . 9 ALA HB . 11242 1 24 . 1 1 9 9 ALA HB3 H 1 1.201 0.030 . 1 . . . . 9 ALA HB . 11242 1 25 . 1 1 9 9 ALA CA C 13 48.715 0.300 . 1 . . . . 9 ALA CA . 11242 1 26 . 1 1 9 9 ALA CB C 13 17.930 0.300 . 1 . . . . 9 ALA CB . 11242 1 27 . 1 1 9 9 ALA N N 15 125.418 0.300 . 1 . . . . 9 ALA N . 11242 1 28 . 1 1 10 10 ALA H H 1 8.877 0.030 . 1 . . . . 10 ALA H . 11242 1 29 . 1 1 10 10 ALA HA H 1 4.842 0.030 . 1 . . . . 10 ALA HA . 11242 1 30 . 1 1 10 10 ALA HB1 H 1 0.972 0.030 . 1 . . . . 10 ALA HB . 11242 1 31 . 1 1 10 10 ALA HB2 H 1 0.972 0.030 . 1 . . . . 10 ALA HB . 11242 1 32 . 1 1 10 10 ALA HB3 H 1 0.972 0.030 . 1 . . . . 10 ALA HB . 11242 1 33 . 1 1 10 10 ALA C C 13 170.889 0.300 . 1 . . . . 10 ALA C . 11242 1 34 . 1 1 10 10 ALA CA C 13 48.018 0.300 . 1 . . . . 10 ALA CA . 11242 1 35 . 1 1 10 10 ALA CB C 13 20.555 0.300 . 1 . . . . 10 ALA CB . 11242 1 36 . 1 1 10 10 ALA N N 15 121.973 0.300 . 1 . . . . 10 ALA N . 11242 1 37 . 1 1 11 11 ARG H H 1 8.615 0.030 . 1 . . . . 11 ARG H . 11242 1 38 . 1 1 11 11 ARG HA H 1 5.218 0.030 . 1 . . . . 11 ARG HA . 11242 1 39 . 1 1 11 11 ARG HB2 H 1 1.366 0.030 . 2 . . . . 11 ARG HB2 . 11242 1 40 . 1 1 11 11 ARG HB3 H 1 1.615 0.030 . 2 . . . . 11 ARG HB3 . 11242 1 41 . 1 1 11 11 ARG HD2 H 1 3.065 0.030 . 1 . . . . 11 ARG HD2 . 11242 1 42 . 1 1 11 11 ARG HD3 H 1 3.065 0.030 . 1 . . . . 11 ARG HD3 . 11242 1 43 . 1 1 11 11 ARG HG2 H 1 1.298 0.030 . 1 . . . . 11 ARG HG2 . 11242 1 44 . 1 1 11 11 ARG HG3 H 1 1.298 0.030 . 1 . . . . 11 ARG HG3 . 11242 1 45 . 1 1 11 11 ARG C C 13 173.717 0.300 . 1 . . . . 11 ARG C . 11242 1 46 . 1 1 11 11 ARG CA C 13 50.734 0.300 . 1 . . . . 11 ARG CA . 11242 1 47 . 1 1 11 11 ARG CB C 13 31.544 0.300 . 1 . . . . 11 ARG CB . 11242 1 48 . 1 1 11 11 ARG CD C 13 40.802 0.300 . 1 . . . . 11 ARG CD . 11242 1 49 . 1 1 11 11 ARG CG C 13 24.690 0.300 . 1 . . . . 11 ARG CG . 11242 1 50 . 1 1 11 11 ARG N N 15 120.035 0.300 . 1 . . . . 11 ARG N . 11242 1 51 . 1 1 12 12 LEU H H 1 8.760 0.030 . 1 . . . . 12 LEU H . 11242 1 52 . 1 1 12 12 LEU HA H 1 4.292 0.030 . 1 . . . . 12 LEU HA . 11242 1 53 . 1 1 12 12 LEU HB2 H 1 1.689 0.030 . 2 . . . . 12 LEU HB2 . 11242 1 54 . 1 1 12 12 LEU HB3 H 1 2.043 0.030 . 2 . . . . 12 LEU HB3 . 11242 1 55 . 1 1 12 12 LEU HD11 H 1 0.353 0.030 . 1 . . . . 12 LEU HD1 . 11242 1 56 . 1 1 12 12 LEU HD12 H 1 0.353 0.030 . 1 . . . . 12 LEU HD1 . 11242 1 57 . 1 1 12 12 LEU HD13 H 1 0.353 0.030 . 1 . . . . 12 LEU HD1 . 11242 1 58 . 1 1 12 12 LEU HD21 H 1 0.889 0.030 . 1 . . . . 12 LEU HD2 . 11242 1 59 . 1 1 12 12 LEU HD22 H 1 0.889 0.030 . 1 . . . . 12 LEU HD2 . 11242 1 60 . 1 1 12 12 LEU HD23 H 1 0.889 0.030 . 1 . . . . 12 LEU HD2 . 11242 1 61 . 1 1 12 12 LEU HG H 1 1.746 0.030 . 1 . . . . 12 LEU HG . 11242 1 62 . 1 1 12 12 LEU C C 13 176.525 0.300 . 1 . . . . 12 LEU C . 11242 1 63 . 1 1 12 12 LEU CA C 13 50.310 0.300 . 1 . . . . 12 LEU CA . 11242 1 64 . 1 1 12 12 LEU CB C 13 37.293 0.300 . 1 . . . . 12 LEU CB . 11242 1 65 . 1 1 12 12 LEU CD1 C 13 19.897 0.300 . 2 . . . . 12 LEU CD1 . 11242 1 66 . 1 1 12 12 LEU CD2 C 13 19.801 0.300 . 2 . . . . 12 LEU CD2 . 11242 1 67 . 1 1 12 12 LEU CG C 13 25.710 0.300 . 1 . . . . 12 LEU CG . 11242 1 68 . 1 1 12 12 LEU N N 15 130.115 0.300 . 1 . . . . 12 LEU N . 11242 1 69 . 1 1 13 13 LYS H H 1 9.218 0.030 . 1 . . . . 13 LYS H . 11242 1 70 . 1 1 13 13 LYS HA H 1 3.634 0.030 . 1 . . . . 13 LYS HA . 11242 1 71 . 1 1 13 13 LYS HB2 H 1 0.545 0.030 . 2 . . . . 13 LYS HB2 . 11242 1 72 . 1 1 13 13 LYS HB3 H 1 0.715 0.030 . 2 . . . . 13 LYS HB3 . 11242 1 73 . 1 1 13 13 LYS HD2 H 1 1.281 0.030 . 2 . . . . 13 LYS HD2 . 11242 1 74 . 1 1 13 13 LYS HD3 H 1 1.235 0.030 . 2 . . . . 13 LYS HD3 . 11242 1 75 . 1 1 13 13 LYS HE2 H 1 2.502 0.030 . 2 . . . . 13 LYS HE2 . 11242 1 76 . 1 1 13 13 LYS HE3 H 1 2.560 0.030 . 2 . . . . 13 LYS HE3 . 11242 1 77 . 1 1 13 13 LYS HG2 H 1 0.920 0.030 . 2 . . . . 13 LYS HG2 . 11242 1 78 . 1 1 13 13 LYS HG3 H 1 0.983 0.030 . 2 . . . . 13 LYS HG3 . 11242 1 79 . 1 1 13 13 LYS C C 13 171.704 0.300 . 1 . . . . 13 LYS C . 11242 1 80 . 1 1 13 13 LYS CA C 13 54.791 0.300 . 1 . . . . 13 LYS CA . 11242 1 81 . 1 1 13 13 LYS CB C 13 30.504 0.300 . 1 . . . . 13 LYS CB . 11242 1 82 . 1 1 13 13 LYS CD C 13 26.576 0.300 . 1 . . . . 13 LYS CD . 11242 1 83 . 1 1 13 13 LYS CE C 13 38.902 0.300 . 1 . . . . 13 LYS CE . 11242 1 84 . 1 1 13 13 LYS CG C 13 22.495 0.300 . 1 . . . . 13 LYS CG . 11242 1 85 . 1 1 13 13 LYS N N 15 123.837 0.300 . 1 . . . . 13 LYS N . 11242 1 86 . 1 1 14 14 PHE H H 1 6.793 0.030 . 1 . . . . 14 PHE H . 11242 1 87 . 1 1 14 14 PHE HA H 1 4.719 0.030 . 1 . . . . 14 PHE HA . 11242 1 88 . 1 1 14 14 PHE HB2 H 1 2.194 0.030 . 2 . . . . 14 PHE HB2 . 11242 1 89 . 1 1 14 14 PHE HB3 H 1 3.188 0.030 . 2 . . . . 14 PHE HB3 . 11242 1 90 . 1 1 14 14 PHE HD1 H 1 6.519 0.030 . 1 . . . . 14 PHE HD1 . 11242 1 91 . 1 1 14 14 PHE HD2 H 1 6.519 0.030 . 1 . . . . 14 PHE HD2 . 11242 1 92 . 1 1 14 14 PHE HE1 H 1 6.985 0.030 . 1 . . . . 14 PHE HE1 . 11242 1 93 . 1 1 14 14 PHE HE2 H 1 6.985 0.030 . 1 . . . . 14 PHE HE2 . 11242 1 94 . 1 1 14 14 PHE HZ H 1 7.050 0.030 . 1 . . . . 14 PHE HZ . 11242 1 95 . 1 1 14 14 PHE C C 13 170.817 0.300 . 1 . . . . 14 PHE C . 11242 1 96 . 1 1 14 14 PHE CA C 13 50.758 0.300 . 1 . . . . 14 PHE CA . 11242 1 97 . 1 1 14 14 PHE CB C 13 40.732 0.300 . 1 . . . . 14 PHE CB . 11242 1 98 . 1 1 14 14 PHE CD1 C 13 130.033 0.300 . 1 . . . . 14 PHE CD1 . 11242 1 99 . 1 1 14 14 PHE CD2 C 13 130.033 0.300 . 1 . . . . 14 PHE CD2 . 11242 1 100 . 1 1 14 14 PHE CE1 C 13 127.910 0.300 . 1 . . . . 14 PHE CE1 . 11242 1 101 . 1 1 14 14 PHE CE2 C 13 127.910 0.300 . 1 . . . . 14 PHE CE2 . 11242 1 102 . 1 1 14 14 PHE CZ C 13 126.833 0.300 . 1 . . . . 14 PHE CZ . 11242 1 103 . 1 1 14 14 PHE N N 15 111.439 0.300 . 1 . . . . 14 PHE N . 11242 1 104 . 1 1 15 15 ASP H H 1 8.236 0.030 . 1 . . . . 15 ASP H . 11242 1 105 . 1 1 15 15 ASP HA H 1 4.483 0.030 . 1 . . . . 15 ASP HA . 11242 1 106 . 1 1 15 15 ASP HB2 H 1 2.777 0.030 . 2 . . . . 15 ASP HB2 . 11242 1 107 . 1 1 15 15 ASP HB3 H 1 2.519 0.030 . 2 . . . . 15 ASP HB3 . 11242 1 108 . 1 1 15 15 ASP C C 13 173.126 0.300 . 1 . . . . 15 ASP C . 11242 1 109 . 1 1 15 15 ASP CA C 13 52.298 0.300 . 1 . . . . 15 ASP CA . 11242 1 110 . 1 1 15 15 ASP CB C 13 38.884 0.300 . 1 . . . . 15 ASP CB . 11242 1 111 . 1 1 15 15 ASP N N 15 117.472 0.300 . 1 . . . . 15 ASP N . 11242 1 112 . 1 1 16 16 PHE H H 1 8.862 0.030 . 1 . . . . 16 PHE H . 11242 1 113 . 1 1 16 16 PHE HA H 1 4.920 0.030 . 1 . . . . 16 PHE HA . 11242 1 114 . 1 1 16 16 PHE HB2 H 1 3.077 0.030 . 2 . . . . 16 PHE HB2 . 11242 1 115 . 1 1 16 16 PHE HB3 H 1 2.684 0.030 . 2 . . . . 16 PHE HB3 . 11242 1 116 . 1 1 16 16 PHE HD1 H 1 7.324 0.030 . 1 . . . . 16 PHE HD1 . 11242 1 117 . 1 1 16 16 PHE HD2 H 1 7.324 0.030 . 1 . . . . 16 PHE HD2 . 11242 1 118 . 1 1 16 16 PHE HE1 H 1 7.436 0.030 . 1 . . . . 16 PHE HE1 . 11242 1 119 . 1 1 16 16 PHE HE2 H 1 7.436 0.030 . 1 . . . . 16 PHE HE2 . 11242 1 120 . 1 1 16 16 PHE HZ H 1 7.573 0.030 . 1 . . . . 16 PHE HZ . 11242 1 121 . 1 1 16 16 PHE C C 13 169.749 0.300 . 1 . . . . 16 PHE C . 11242 1 122 . 1 1 16 16 PHE CA C 13 54.914 0.300 . 1 . . . . 16 PHE CA . 11242 1 123 . 1 1 16 16 PHE CB C 13 40.026 0.300 . 1 . . . . 16 PHE CB . 11242 1 124 . 1 1 16 16 PHE CD1 C 13 130.054 0.300 . 1 . . . . 16 PHE CD1 . 11242 1 125 . 1 1 16 16 PHE CD2 C 13 130.054 0.300 . 1 . . . . 16 PHE CD2 . 11242 1 126 . 1 1 16 16 PHE CE1 C 13 129.118 0.300 . 1 . . . . 16 PHE CE1 . 11242 1 127 . 1 1 16 16 PHE CE2 C 13 129.118 0.300 . 1 . . . . 16 PHE CE2 . 11242 1 128 . 1 1 16 16 PHE CZ C 13 127.566 0.300 . 1 . . . . 16 PHE CZ . 11242 1 129 . 1 1 16 16 PHE N N 15 121.339 0.300 . 1 . . . . 16 PHE N . 11242 1 130 . 1 1 17 17 GLN H H 1 7.861 0.030 . 1 . . . . 17 GLN H . 11242 1 131 . 1 1 17 17 GLN HA H 1 4.205 0.030 . 1 . . . . 17 GLN HA . 11242 1 132 . 1 1 17 17 GLN HB2 H 1 1.744 0.030 . 2 . . . . 17 GLN HB2 . 11242 1 133 . 1 1 17 17 GLN HB3 H 1 1.699 0.030 . 2 . . . . 17 GLN HB3 . 11242 1 134 . 1 1 17 17 GLN HE21 H 1 7.492 0.030 . 2 . . . . 17 GLN HE21 . 11242 1 135 . 1 1 17 17 GLN HE22 H 1 6.701 0.030 . 2 . . . . 17 GLN HE22 . 11242 1 136 . 1 1 17 17 GLN HG2 H 1 2.136 0.030 . 2 . . . . 17 GLN HG2 . 11242 1 137 . 1 1 17 17 GLN HG3 H 1 2.072 0.030 . 2 . . . . 17 GLN HG3 . 11242 1 138 . 1 1 17 17 GLN C C 13 170.988 0.300 . 1 . . . . 17 GLN C . 11242 1 139 . 1 1 17 17 GLN CA C 13 51.128 0.300 . 1 . . . . 17 GLN CA . 11242 1 140 . 1 1 17 17 GLN CB C 13 26.666 0.300 . 1 . . . . 17 GLN CB . 11242 1 141 . 1 1 17 17 GLN CG C 13 30.820 0.300 . 1 . . . . 17 GLN CG . 11242 1 142 . 1 1 17 17 GLN N N 15 127.372 0.300 . 1 . . . . 17 GLN N . 11242 1 143 . 1 1 17 17 GLN NE2 N 15 112.804 0.300 . 1 . . . . 17 GLN NE2 . 11242 1 144 . 1 1 18 18 ALA H H 1 7.702 0.030 . 1 . . . . 18 ALA H . 11242 1 145 . 1 1 18 18 ALA HA H 1 3.930 0.030 . 1 . . . . 18 ALA HA . 11242 1 146 . 1 1 18 18 ALA HB1 H 1 1.197 0.030 . 1 . . . . 18 ALA HB . 11242 1 147 . 1 1 18 18 ALA HB2 H 1 1.197 0.030 . 1 . . . . 18 ALA HB . 11242 1 148 . 1 1 18 18 ALA HB3 H 1 1.197 0.030 . 1 . . . . 18 ALA HB . 11242 1 149 . 1 1 18 18 ALA C C 13 176.514 0.300 . 1 . . . . 18 ALA C . 11242 1 150 . 1 1 18 18 ALA CA C 13 50.443 0.300 . 1 . . . . 18 ALA CA . 11242 1 151 . 1 1 18 18 ALA CB C 13 18.961 0.300 . 1 . . . . 18 ALA CB . 11242 1 152 . 1 1 18 18 ALA N N 15 127.991 0.300 . 1 . . . . 18 ALA N . 11242 1 153 . 1 1 19 19 GLN H H 1 9.244 0.030 . 1 . . . . 19 GLN H . 11242 1 154 . 1 1 19 19 GLN HA H 1 4.343 0.030 . 1 . . . . 19 GLN HA . 11242 1 155 . 1 1 19 19 GLN HB2 H 1 2.025 0.030 . 2 . . . . 19 GLN HB2 . 11242 1 156 . 1 1 19 19 GLN HB3 H 1 2.225 0.030 . 2 . . . . 19 GLN HB3 . 11242 1 157 . 1 1 19 19 GLN HE21 H 1 7.416 0.030 . 2 . . . . 19 GLN HE21 . 11242 1 158 . 1 1 19 19 GLN HE22 H 1 6.716 0.030 . 2 . . . . 19 GLN HE22 . 11242 1 159 . 1 1 19 19 GLN HG2 H 1 2.378 0.030 . 2 . . . . 19 GLN HG2 . 11242 1 160 . 1 1 19 19 GLN HG3 H 1 2.240 0.030 . 2 . . . . 19 GLN HG3 . 11242 1 161 . 1 1 19 19 GLN C C 13 172.470 0.300 . 1 . . . . 19 GLN C . 11242 1 162 . 1 1 19 19 GLN CA C 13 52.390 0.300 . 1 . . . . 19 GLN CA . 11242 1 163 . 1 1 19 19 GLN CB C 13 27.728 0.300 . 1 . . . . 19 GLN CB . 11242 1 164 . 1 1 19 19 GLN CG C 13 31.460 0.300 . 1 . . . . 19 GLN CG . 11242 1 165 . 1 1 19 19 GLN N N 15 119.638 0.300 . 1 . . . . 19 GLN N . 11242 1 166 . 1 1 19 19 GLN NE2 N 15 112.743 0.300 . 1 . . . . 19 GLN NE2 . 11242 1 167 . 1 1 20 20 SER H H 1 7.525 0.030 . 1 . . . . 20 SER H . 11242 1 168 . 1 1 20 20 SER HA H 1 4.818 0.030 . 1 . . . . 20 SER HA . 11242 1 169 . 1 1 20 20 SER HB2 H 1 3.611 0.030 . 2 . . . . 20 SER HB2 . 11242 1 170 . 1 1 20 20 SER HB3 H 1 3.958 0.030 . 2 . . . . 20 SER HB3 . 11242 1 171 . 1 1 20 20 SER C C 13 171.069 0.300 . 1 . . . . 20 SER C . 11242 1 172 . 1 1 20 20 SER CA C 13 53.689 0.300 . 1 . . . . 20 SER CA . 11242 1 173 . 1 1 20 20 SER CB C 13 61.808 0.300 . 1 . . . . 20 SER CB . 11242 1 174 . 1 1 20 20 SER N N 15 115.770 0.300 . 1 . . . . 20 SER N . 11242 1 175 . 1 1 21 21 PRO HA H 1 4.409 0.030 . 1 . . . . 21 PRO HA . 11242 1 176 . 1 1 21 21 PRO HB2 H 1 1.854 0.030 . 2 . . . . 21 PRO HB2 . 11242 1 177 . 1 1 21 21 PRO HB3 H 1 2.359 0.030 . 2 . . . . 21 PRO HB3 . 11242 1 178 . 1 1 21 21 PRO HD2 H 1 3.697 0.030 . 2 . . . . 21 PRO HD2 . 11242 1 179 . 1 1 21 21 PRO HD3 H 1 3.775 0.030 . 2 . . . . 21 PRO HD3 . 11242 1 180 . 1 1 21 21 PRO HG2 H 1 1.973 0.030 . 2 . . . . 21 PRO HG2 . 11242 1 181 . 1 1 21 21 PRO HG3 H 1 1.903 0.030 . 2 . . . . 21 PRO HG3 . 11242 1 182 . 1 1 21 21 PRO C C 13 174.303 0.300 . 1 . . . . 21 PRO C . 11242 1 183 . 1 1 21 21 PRO CA C 13 62.149 0.300 . 1 . . . . 21 PRO CA . 11242 1 184 . 1 1 21 21 PRO CB C 13 29.596 0.300 . 1 . . . . 21 PRO CB . 11242 1 185 . 1 1 21 21 PRO CD C 13 48.451 0.300 . 1 . . . . 21 PRO CD . 11242 1 186 . 1 1 21 21 PRO CG C 13 24.873 0.300 . 1 . . . . 21 PRO CG . 11242 1 187 . 1 1 22 22 LYS H H 1 7.653 0.030 . 1 . . . . 22 LYS H . 11242 1 188 . 1 1 22 22 LYS HA H 1 4.214 0.030 . 1 . . . . 22 LYS HA . 11242 1 189 . 1 1 22 22 LYS HB2 H 1 1.585 0.030 . 2 . . . . 22 LYS HB2 . 11242 1 190 . 1 1 22 22 LYS HB3 H 1 1.697 0.030 . 2 . . . . 22 LYS HB3 . 11242 1 191 . 1 1 22 22 LYS HD2 H 1 1.477 0.030 . 1 . . . . 22 LYS HD2 . 11242 1 192 . 1 1 22 22 LYS HD3 H 1 1.477 0.030 . 1 . . . . 22 LYS HD3 . 11242 1 193 . 1 1 22 22 LYS HE2 H 1 2.768 0.030 . 2 . . . . 22 LYS HE2 . 11242 1 194 . 1 1 22 22 LYS HG2 H 1 1.276 0.030 . 2 . . . . 22 LYS HG2 . 11242 1 195 . 1 1 22 22 LYS HG3 H 1 1.337 0.030 . 2 . . . . 22 LYS HG3 . 11242 1 196 . 1 1 22 22 LYS C C 13 174.578 0.300 . 1 . . . . 22 LYS C . 11242 1 197 . 1 1 22 22 LYS CA C 13 54.176 0.300 . 1 . . . . 22 LYS CA . 11242 1 198 . 1 1 22 22 LYS CB C 13 30.385 0.300 . 1 . . . . 22 LYS CB . 11242 1 199 . 1 1 22 22 LYS CD C 13 26.419 0.300 . 1 . . . . 22 LYS CD . 11242 1 200 . 1 1 22 22 LYS CE C 13 39.291 0.300 . 1 . . . . 22 LYS CE . 11242 1 201 . 1 1 22 22 LYS CG C 13 22.379 0.300 . 1 . . . . 22 LYS CG . 11242 1 202 . 1 1 22 22 LYS N N 15 113.914 0.300 . 1 . . . . 22 LYS N . 11242 1 203 . 1 1 23 23 GLU H H 1 7.421 0.030 . 1 . . . . 23 GLU H . 11242 1 204 . 1 1 23 23 GLU HA H 1 4.784 0.030 . 1 . . . . 23 GLU HA . 11242 1 205 . 1 1 23 23 GLU HB2 H 1 2.376 0.030 . 2 . . . . 23 GLU HB2 . 11242 1 206 . 1 1 23 23 GLU HB3 H 1 2.192 0.030 . 2 . . . . 23 GLU HB3 . 11242 1 207 . 1 1 23 23 GLU HG2 H 1 2.194 0.030 . 2 . . . . 23 GLU HG2 . 11242 1 208 . 1 1 23 23 GLU HG3 H 1 1.908 0.030 . 2 . . . . 23 GLU HG3 . 11242 1 209 . 1 1 23 23 GLU C C 13 172.870 0.300 . 1 . . . . 23 GLU C . 11242 1 210 . 1 1 23 23 GLU CA C 13 52.544 0.300 . 1 . . . . 23 GLU CA . 11242 1 211 . 1 1 23 23 GLU CB C 13 29.854 0.300 . 1 . . . . 23 GLU CB . 11242 1 212 . 1 1 23 23 GLU CG C 13 34.397 0.300 . 1 . . . . 23 GLU CG . 11242 1 213 . 1 1 23 23 GLU N N 15 119.328 0.300 . 1 . . . . 23 GLU N . 11242 1 214 . 1 1 24 24 LEU H H 1 8.436 0.030 . 1 . . . . 24 LEU H . 11242 1 215 . 1 1 24 24 LEU HA H 1 4.548 0.030 . 1 . . . . 24 LEU HA . 11242 1 216 . 1 1 24 24 LEU HB2 H 1 1.520 0.030 . 2 . . . . 24 LEU HB2 . 11242 1 217 . 1 1 24 24 LEU HB3 H 1 1.367 0.030 . 2 . . . . 24 LEU HB3 . 11242 1 218 . 1 1 24 24 LEU HD11 H 1 0.845 0.030 . 1 . . . . 24 LEU HD1 . 11242 1 219 . 1 1 24 24 LEU HD12 H 1 0.845 0.030 . 1 . . . . 24 LEU HD1 . 11242 1 220 . 1 1 24 24 LEU HD13 H 1 0.845 0.030 . 1 . . . . 24 LEU HD1 . 11242 1 221 . 1 1 24 24 LEU HD21 H 1 0.771 0.030 . 1 . . . . 24 LEU HD2 . 11242 1 222 . 1 1 24 24 LEU HD22 H 1 0.771 0.030 . 1 . . . . 24 LEU HD2 . 11242 1 223 . 1 1 24 24 LEU HD23 H 1 0.771 0.030 . 1 . . . . 24 LEU HD2 . 11242 1 224 . 1 1 24 24 LEU HG H 1 1.405 0.030 . 1 . . . . 24 LEU HG . 11242 1 225 . 1 1 24 24 LEU C C 13 171.724 0.300 . 1 . . . . 24 LEU C . 11242 1 226 . 1 1 24 24 LEU CA C 13 50.842 0.300 . 1 . . . . 24 LEU CA . 11242 1 227 . 1 1 24 24 LEU CB C 13 42.075 0.300 . 1 . . . . 24 LEU CB . 11242 1 228 . 1 1 24 24 LEU CD1 C 13 22.772 0.300 . 2 . . . . 24 LEU CD1 . 11242 1 229 . 1 1 24 24 LEU CD2 C 13 21.336 0.300 . 2 . . . . 24 LEU CD2 . 11242 1 230 . 1 1 24 24 LEU CG C 13 24.407 0.300 . 1 . . . . 24 LEU CG . 11242 1 231 . 1 1 24 24 LEU N N 15 122.113 0.300 . 1 . . . . 24 LEU N . 11242 1 232 . 1 1 25 25 THR H H 1 7.885 0.030 . 1 . . . . 25 THR H . 11242 1 233 . 1 1 25 25 THR HA H 1 4.647 0.030 . 1 . . . . 25 THR HA . 11242 1 234 . 1 1 25 25 THR HB H 1 3.954 0.030 . 1 . . . . 25 THR HB . 11242 1 235 . 1 1 25 25 THR HG21 H 1 1.219 0.030 . 1 . . . . 25 THR HG2 . 11242 1 236 . 1 1 25 25 THR HG22 H 1 1.219 0.030 . 1 . . . . 25 THR HG2 . 11242 1 237 . 1 1 25 25 THR HG23 H 1 1.219 0.030 . 1 . . . . 25 THR HG2 . 11242 1 238 . 1 1 25 25 THR C C 13 172.734 0.300 . 1 . . . . 25 THR C . 11242 1 239 . 1 1 25 25 THR CA C 13 60.764 0.300 . 1 . . . . 25 THR CA . 11242 1 240 . 1 1 25 25 THR CB C 13 66.861 0.300 . 1 . . . . 25 THR CB . 11242 1 241 . 1 1 25 25 THR CG2 C 13 20.011 0.300 . 1 . . . . 25 THR CG2 . 11242 1 242 . 1 1 25 25 THR N N 15 118.555 0.300 . 1 . . . . 25 THR N . 11242 1 243 . 1 1 26 26 LEU H H 1 9.301 0.030 . 1 . . . . 26 LEU H . 11242 1 244 . 1 1 26 26 LEU HA H 1 4.519 0.030 . 1 . . . . 26 LEU HA . 11242 1 245 . 1 1 26 26 LEU HB2 H 1 1.393 0.030 . 2 . . . . 26 LEU HB2 . 11242 1 246 . 1 1 26 26 LEU HB3 H 1 1.259 0.030 . 2 . . . . 26 LEU HB3 . 11242 1 247 . 1 1 26 26 LEU HD11 H 1 0.281 0.030 . 1 . . . . 26 LEU HD1 . 11242 1 248 . 1 1 26 26 LEU HD12 H 1 0.281 0.030 . 1 . . . . 26 LEU HD1 . 11242 1 249 . 1 1 26 26 LEU HD13 H 1 0.281 0.030 . 1 . . . . 26 LEU HD1 . 11242 1 250 . 1 1 26 26 LEU HD21 H 1 0.117 0.030 . 1 . . . . 26 LEU HD2 . 11242 1 251 . 1 1 26 26 LEU HD22 H 1 0.117 0.030 . 1 . . . . 26 LEU HD2 . 11242 1 252 . 1 1 26 26 LEU HD23 H 1 0.117 0.030 . 1 . . . . 26 LEU HD2 . 11242 1 253 . 1 1 26 26 LEU HG H 1 1.310 0.030 . 1 . . . . 26 LEU HG . 11242 1 254 . 1 1 26 26 LEU C C 13 172.648 0.300 . 1 . . . . 26 LEU C . 11242 1 255 . 1 1 26 26 LEU CA C 13 51.108 0.300 . 1 . . . . 26 LEU CA . 11242 1 256 . 1 1 26 26 LEU CB C 13 45.914 0.300 . 1 . . . . 26 LEU CB . 11242 1 257 . 1 1 26 26 LEU CD1 C 13 23.840 0.300 . 2 . . . . 26 LEU CD1 . 11242 1 258 . 1 1 26 26 LEU CD2 C 13 20.289 0.300 . 2 . . . . 26 LEU CD2 . 11242 1 259 . 1 1 26 26 LEU CG C 13 23.239 0.300 . 1 . . . . 26 LEU CG . 11242 1 260 . 1 1 26 26 LEU N N 15 129.847 0.300 . 1 . . . . 26 LEU N . 11242 1 261 . 1 1 27 27 GLN H H 1 9.185 0.030 . 1 . . . . 27 GLN H . 11242 1 262 . 1 1 27 27 GLN HA H 1 4.786 0.030 . 1 . . . . 27 GLN HA . 11242 1 263 . 1 1 27 27 GLN HB2 H 1 1.891 0.030 . 2 . . . . 27 GLN HB2 . 11242 1 264 . 1 1 27 27 GLN HB3 H 1 1.779 0.030 . 2 . . . . 27 GLN HB3 . 11242 1 265 . 1 1 27 27 GLN HE21 H 1 7.591 0.030 . 2 . . . . 27 GLN HE21 . 11242 1 266 . 1 1 27 27 GLN HE22 H 1 6.684 0.030 . 2 . . . . 27 GLN HE22 . 11242 1 267 . 1 1 27 27 GLN HG2 H 1 2.218 0.030 . 1 . . . . 27 GLN HG2 . 11242 1 268 . 1 1 27 27 GLN HG3 H 1 2.218 0.030 . 1 . . . . 27 GLN HG3 . 11242 1 269 . 1 1 27 27 GLN C C 13 172.214 0.300 . 1 . . . . 27 GLN C . 11242 1 270 . 1 1 27 27 GLN CA C 13 50.974 0.300 . 1 . . . . 27 GLN CA . 11242 1 271 . 1 1 27 27 GLN CB C 13 29.588 0.300 . 1 . . . . 27 GLN CB . 11242 1 272 . 1 1 27 27 GLN CG C 13 32.239 0.300 . 1 . . . . 27 GLN CG . 11242 1 273 . 1 1 27 27 GLN N N 15 122.577 0.300 . 1 . . . . 27 GLN N . 11242 1 274 . 1 1 27 27 GLN NE2 N 15 112.160 0.300 . 1 . . . . 27 GLN NE2 . 11242 1 275 . 1 1 28 28 LYS H H 1 9.036 0.030 . 1 . . . . 28 LYS H . 11242 1 276 . 1 1 28 28 LYS HA H 1 3.112 0.030 . 1 . . . . 28 LYS HA . 11242 1 277 . 1 1 28 28 LYS HB2 H 1 1.370 0.030 . 2 . . . . 28 LYS HB2 . 11242 1 278 . 1 1 28 28 LYS HB3 H 1 1.499 0.030 . 2 . . . . 28 LYS HB3 . 11242 1 279 . 1 1 28 28 LYS HD2 H 1 1.539 0.030 . 1 . . . . 28 LYS HD2 . 11242 1 280 . 1 1 28 28 LYS HD3 H 1 1.539 0.030 . 1 . . . . 28 LYS HD3 . 11242 1 281 . 1 1 28 28 LYS HE2 H 1 2.832 0.030 . 2 . . . . 28 LYS HE2 . 11242 1 282 . 1 1 28 28 LYS HG2 H 1 0.961 0.030 . 1 . . . . 28 LYS HG2 . 11242 1 283 . 1 1 28 28 LYS HG3 H 1 0.961 0.030 . 1 . . . . 28 LYS HG3 . 11242 1 284 . 1 1 28 28 LYS C C 13 174.524 0.300 . 1 . . . . 28 LYS C . 11242 1 285 . 1 1 28 28 LYS CA C 13 56.054 0.300 . 1 . . . . 28 LYS CA . 11242 1 286 . 1 1 28 28 LYS CB C 13 29.721 0.300 . 1 . . . . 28 LYS CB . 11242 1 287 . 1 1 28 28 LYS CD C 13 27.121 0.300 . 1 . . . . 28 LYS CD . 11242 1 288 . 1 1 28 28 LYS CE C 13 39.352 0.300 . 1 . . . . 28 LYS CE . 11242 1 289 . 1 1 28 28 LYS CG C 13 21.742 0.300 . 1 . . . . 28 LYS CG . 11242 1 290 . 1 1 28 28 LYS N N 15 121.958 0.300 . 1 . . . . 28 LYS N . 11242 1 291 . 1 1 29 29 GLY H H 1 8.640 0.030 . 1 . . . . 29 GLY H . 11242 1 292 . 1 1 29 29 GLY HA2 H 1 4.322 0.030 . 2 . . . . 29 GLY HA2 . 11242 1 293 . 1 1 29 29 GLY HA3 H 1 3.247 0.030 . 2 . . . . 29 GLY HA3 . 11242 1 294 . 1 1 29 29 GLY C C 13 171.546 0.300 . 1 . . . . 29 GLY C . 11242 1 295 . 1 1 29 29 GLY CA C 13 42.215 0.300 . 1 . . . . 29 GLY CA . 11242 1 296 . 1 1 29 29 GLY N N 15 115.306 0.300 . 1 . . . . 29 GLY N . 11242 1 297 . 1 1 30 30 ASP H H 1 8.400 0.030 . 1 . . . . 30 ASP H . 11242 1 298 . 1 1 30 30 ASP HA H 1 4.474 0.030 . 1 . . . . 30 ASP HA . 11242 1 299 . 1 1 30 30 ASP HB2 H 1 2.515 0.030 . 2 . . . . 30 ASP HB2 . 11242 1 300 . 1 1 30 30 ASP HB3 H 1 1.875 0.030 . 2 . . . . 30 ASP HB3 . 11242 1 301 . 1 1 30 30 ASP C C 13 172.352 0.300 . 1 . . . . 30 ASP C . 11242 1 302 . 1 1 30 30 ASP CA C 13 53.129 0.300 . 1 . . . . 30 ASP CA . 11242 1 303 . 1 1 30 30 ASP CB C 13 38.720 0.300 . 1 . . . . 30 ASP CB . 11242 1 304 . 1 1 30 30 ASP N N 15 122.731 0.300 . 1 . . . . 30 ASP N . 11242 1 305 . 1 1 31 31 ILE H H 1 8.345 0.030 . 1 . . . . 31 ILE H . 11242 1 306 . 1 1 31 31 ILE HA H 1 4.954 0.030 . 1 . . . . 31 ILE HA . 11242 1 307 . 1 1 31 31 ILE HB H 1 1.865 0.030 . 1 . . . . 31 ILE HB . 11242 1 308 . 1 1 31 31 ILE HD11 H 1 0.645 0.030 . 1 . . . . 31 ILE HD1 . 11242 1 309 . 1 1 31 31 ILE HD12 H 1 0.645 0.030 . 1 . . . . 31 ILE HD1 . 11242 1 310 . 1 1 31 31 ILE HD13 H 1 0.645 0.030 . 1 . . . . 31 ILE HD1 . 11242 1 311 . 1 1 31 31 ILE HG12 H 1 1.480 0.030 . 1 . . . . 31 ILE HG12 . 11242 1 312 . 1 1 31 31 ILE HG13 H 1 1.480 0.030 . 1 . . . . 31 ILE HG13 . 11242 1 313 . 1 1 31 31 ILE HG21 H 1 0.611 0.030 . 1 . . . . 31 ILE HG2 . 11242 1 314 . 1 1 31 31 ILE HG22 H 1 0.611 0.030 . 1 . . . . 31 ILE HG2 . 11242 1 315 . 1 1 31 31 ILE HG23 H 1 0.611 0.030 . 1 . . . . 31 ILE HG2 . 11242 1 316 . 1 1 31 31 ILE CA C 13 55.643 0.300 . 1 . . . . 31 ILE CA . 11242 1 317 . 1 1 31 31 ILE CB C 13 34.941 0.300 . 1 . . . . 31 ILE CB . 11242 1 318 . 1 1 31 31 ILE CD1 C 13 8.069 0.300 . 1 . . . . 31 ILE CD1 . 11242 1 319 . 1 1 31 31 ILE CG1 C 13 24.279 0.300 . 1 . . . . 31 ILE CG1 . 11242 1 320 . 1 1 31 31 ILE CG2 C 13 14.329 0.300 . 1 . . . . 31 ILE CG2 . 11242 1 321 . 1 1 31 31 ILE N N 15 119.792 0.300 . 1 . . . . 31 ILE N . 11242 1 322 . 1 1 32 32 VAL H H 1 8.796 0.030 . 1 . . . . 32 VAL H . 11242 1 323 . 1 1 32 32 VAL HA H 1 4.836 0.030 . 1 . . . . 32 VAL HA . 11242 1 324 . 1 1 32 32 VAL HB H 1 1.529 0.030 . 1 . . . . 32 VAL HB . 11242 1 325 . 1 1 32 32 VAL HG11 H 1 0.227 0.030 . 1 . . . . 32 VAL HG1 . 11242 1 326 . 1 1 32 32 VAL HG12 H 1 0.227 0.030 . 1 . . . . 32 VAL HG1 . 11242 1 327 . 1 1 32 32 VAL HG13 H 1 0.227 0.030 . 1 . . . . 32 VAL HG1 . 11242 1 328 . 1 1 32 32 VAL HG21 H 1 0.271 0.030 . 1 . . . . 32 VAL HG2 . 11242 1 329 . 1 1 32 32 VAL HG22 H 1 0.271 0.030 . 1 . . . . 32 VAL HG2 . 11242 1 330 . 1 1 32 32 VAL HG23 H 1 0.271 0.030 . 1 . . . . 32 VAL HG2 . 11242 1 331 . 1 1 32 32 VAL C C 13 170.783 0.300 . 1 . . . . 32 VAL C . 11242 1 332 . 1 1 32 32 VAL CA C 13 55.225 0.300 . 1 . . . . 32 VAL CA . 11242 1 333 . 1 1 32 32 VAL CB C 13 32.471 0.300 . 1 . . . . 32 VAL CB . 11242 1 334 . 1 1 32 32 VAL CG1 C 13 19.456 0.300 . 2 . . . . 32 VAL CG1 . 11242 1 335 . 1 1 32 32 VAL CG2 C 13 16.854 0.300 . 2 . . . . 32 VAL CG2 . 11242 1 336 . 1 1 32 32 VAL N N 15 121.572 0.300 . 1 . . . . 32 VAL N . 11242 1 337 . 1 1 33 33 TYR H H 1 8.198 0.030 . 1 . . . . 33 TYR H . 11242 1 338 . 1 1 33 33 TYR HA H 1 4.854 0.030 . 1 . . . . 33 TYR HA . 11242 1 339 . 1 1 33 33 TYR HB2 H 1 2.766 0.030 . 1 . . . . 33 TYR HB2 . 11242 1 340 . 1 1 33 33 TYR HB3 H 1 2.766 0.030 . 1 . . . . 33 TYR HB3 . 11242 1 341 . 1 1 33 33 TYR HD1 H 1 6.799 0.030 . 1 . . . . 33 TYR HD1 . 11242 1 342 . 1 1 33 33 TYR HD2 H 1 6.799 0.030 . 1 . . . . 33 TYR HD2 . 11242 1 343 . 1 1 33 33 TYR HE1 H 1 6.583 0.030 . 1 . . . . 33 TYR HE1 . 11242 1 344 . 1 1 33 33 TYR HE2 H 1 6.583 0.030 . 1 . . . . 33 TYR HE2 . 11242 1 345 . 1 1 33 33 TYR C C 13 170.783 0.300 . 1 . . . . 33 TYR C . 11242 1 346 . 1 1 33 33 TYR CA C 13 54.030 0.300 . 1 . . . . 33 TYR CA . 11242 1 347 . 1 1 33 33 TYR CB C 13 37.293 0.300 . 1 . . . . 33 TYR CB . 11242 1 348 . 1 1 33 33 TYR CD1 C 13 130.175 0.300 . 1 . . . . 33 TYR CD1 . 11242 1 349 . 1 1 33 33 TYR CD2 C 13 130.175 0.300 . 1 . . . . 33 TYR CD2 . 11242 1 350 . 1 1 33 33 TYR CE1 C 13 115.395 0.300 . 1 . . . . 33 TYR CE1 . 11242 1 351 . 1 1 33 33 TYR CE2 C 13 115.395 0.300 . 1 . . . . 33 TYR CE2 . 11242 1 352 . 1 1 33 33 TYR N N 15 120.204 0.300 . 1 . . . . 33 TYR N . 11242 1 353 . 1 1 34 34 ILE H H 1 8.986 0.030 . 1 . . . . 34 ILE H . 11242 1 354 . 1 1 34 34 ILE HA H 1 3.843 0.030 . 1 . . . . 34 ILE HA . 11242 1 355 . 1 1 34 34 ILE HB H 1 1.955 0.030 . 1 . . . . 34 ILE HB . 11242 1 356 . 1 1 34 34 ILE HD11 H 1 0.739 0.030 . 1 . . . . 34 ILE HD1 . 11242 1 357 . 1 1 34 34 ILE HD12 H 1 0.739 0.030 . 1 . . . . 34 ILE HD1 . 11242 1 358 . 1 1 34 34 ILE HD13 H 1 0.739 0.030 . 1 . . . . 34 ILE HD1 . 11242 1 359 . 1 1 34 34 ILE HG12 H 1 0.956 0.030 . 2 . . . . 34 ILE HG12 . 11242 1 360 . 1 1 34 34 ILE HG13 H 1 1.635 0.030 . 2 . . . . 34 ILE HG13 . 11242 1 361 . 1 1 34 34 ILE HG21 H 1 0.744 0.030 . 1 . . . . 34 ILE HG2 . 11242 1 362 . 1 1 34 34 ILE HG22 H 1 0.744 0.030 . 1 . . . . 34 ILE HG2 . 11242 1 363 . 1 1 34 34 ILE HG23 H 1 0.744 0.030 . 1 . . . . 34 ILE HG2 . 11242 1 364 . 1 1 34 34 ILE CA C 13 60.276 0.300 . 1 . . . . 34 ILE CA . 11242 1 365 . 1 1 34 34 ILE CB C 13 36.230 0.300 . 1 . . . . 34 ILE CB . 11242 1 366 . 1 1 34 34 ILE CD1 C 13 12.176 0.300 . 1 . . . . 34 ILE CD1 . 11242 1 367 . 1 1 34 34 ILE CG1 C 13 25.320 0.300 . 1 . . . . 34 ILE CG1 . 11242 1 368 . 1 1 34 34 ILE CG2 C 13 15.906 0.300 . 1 . . . . 34 ILE CG2 . 11242 1 369 . 1 1 35 35 HIS H H 1 9.717 0.030 . 1 . . . . 35 HIS H . 11242 1 370 . 1 1 35 35 HIS HA H 1 4.756 0.030 . 1 . . . . 35 HIS HA . 11242 1 371 . 1 1 35 35 HIS HB2 H 1 3.035 0.030 . 2 . . . . 35 HIS HB2 . 11242 1 372 . 1 1 35 35 HIS HB3 H 1 2.894 0.030 . 2 . . . . 35 HIS HB3 . 11242 1 373 . 1 1 35 35 HIS HD2 H 1 6.817 0.030 . 1 . . . . 35 HIS HD2 . 11242 1 374 . 1 1 35 35 HIS HE1 H 1 7.738 0.030 . 1 . . . . 35 HIS HE1 . 11242 1 375 . 1 1 35 35 HIS C C 13 173.111 0.300 . 1 . . . . 35 HIS C . 11242 1 376 . 1 1 35 35 HIS CA C 13 54.822 0.300 . 1 . . . . 35 HIS CA . 11242 1 377 . 1 1 35 35 HIS CB C 13 30.385 0.300 . 1 . . . . 35 HIS CB . 11242 1 378 . 1 1 35 35 HIS CD2 C 13 114.072 0.300 . 1 . . . . 35 HIS CD2 . 11242 1 379 . 1 1 35 35 HIS CE1 C 13 135.911 0.300 . 1 . . . . 35 HIS CE1 . 11242 1 380 . 1 1 35 35 HIS N N 15 127.343 0.300 . 1 . . . . 35 HIS N . 11242 1 381 . 1 1 36 36 LYS H H 1 7.959 0.030 . 1 . . . . 36 LYS H . 11242 1 382 . 1 1 36 36 LYS HA H 1 4.574 0.030 . 1 . . . . 36 LYS HA . 11242 1 383 . 1 1 36 36 LYS HB2 H 1 1.897 0.030 . 2 . . . . 36 LYS HB2 . 11242 1 384 . 1 1 36 36 LYS HB3 H 1 1.653 0.030 . 2 . . . . 36 LYS HB3 . 11242 1 385 . 1 1 36 36 LYS HD2 H 1 1.505 0.030 . 1 . . . . 36 LYS HD2 . 11242 1 386 . 1 1 36 36 LYS HD3 H 1 1.505 0.030 . 1 . . . . 36 LYS HD3 . 11242 1 387 . 1 1 36 36 LYS HE2 H 1 2.784 0.030 . 1 . . . . 36 LYS HE2 . 11242 1 388 . 1 1 36 36 LYS HE3 H 1 2.784 0.030 . 1 . . . . 36 LYS HE3 . 11242 1 389 . 1 1 36 36 LYS HG2 H 1 1.215 0.030 . 2 . . . . 36 LYS HG2 . 11242 1 390 . 1 1 36 36 LYS HG3 H 1 1.004 0.030 . 2 . . . . 36 LYS HG3 . 11242 1 391 . 1 1 36 36 LYS C C 13 171.277 0.300 . 1 . . . . 36 LYS C . 11242 1 392 . 1 1 36 36 LYS CA C 13 52.975 0.300 . 1 . . . . 36 LYS CA . 11242 1 393 . 1 1 36 36 LYS CB C 13 32.774 0.300 . 1 . . . . 36 LYS CB . 11242 1 394 . 1 1 36 36 LYS CD C 13 26.931 0.300 . 1 . . . . 36 LYS CD . 11242 1 395 . 1 1 36 36 LYS CE C 13 39.353 0.300 . 1 . . . . 36 LYS CE . 11242 1 396 . 1 1 36 36 LYS CG C 13 21.087 0.300 . 1 . . . . 36 LYS CG . 11242 1 397 . 1 1 36 36 LYS N N 15 114.378 0.300 . 1 . . . . 36 LYS N . 11242 1 398 . 1 1 37 37 GLU H H 1 8.515 0.030 . 1 . . . . 37 GLU H . 11242 1 399 . 1 1 37 37 GLU HA H 1 4.446 0.030 . 1 . . . . 37 GLU HA . 11242 1 400 . 1 1 37 37 GLU HB2 H 1 1.869 0.030 . 2 . . . . 37 GLU HB2 . 11242 1 401 . 1 1 37 37 GLU HB3 H 1 1.831 0.030 . 2 . . . . 37 GLU HB3 . 11242 1 402 . 1 1 37 37 GLU HG2 H 1 2.072 0.030 . 2 . . . . 37 GLU HG2 . 11242 1 403 . 1 1 37 37 GLU HG3 H 1 1.984 0.030 . 2 . . . . 37 GLU HG3 . 11242 1 404 . 1 1 37 37 GLU C C 13 173.494 0.300 . 1 . . . . 37 GLU C . 11242 1 405 . 1 1 37 37 GLU CA C 13 53.375 0.300 . 1 . . . . 37 GLU CA . 11242 1 406 . 1 1 37 37 GLU CB C 13 27.010 0.300 . 1 . . . . 37 GLU CB . 11242 1 407 . 1 1 37 37 GLU CG C 13 33.706 0.300 . 1 . . . . 37 GLU CG . 11242 1 408 . 1 1 37 37 GLU N N 15 121.184 0.300 . 1 . . . . 37 GLU N . 11242 1 409 . 1 1 38 38 VAL H H 1 8.301 0.030 . 1 . . . . 38 VAL H . 11242 1 410 . 1 1 38 38 VAL HA H 1 3.747 0.030 . 1 . . . . 38 VAL HA . 11242 1 411 . 1 1 38 38 VAL HB H 1 1.808 0.030 . 1 . . . . 38 VAL HB . 11242 1 412 . 1 1 38 38 VAL HG11 H 1 0.719 0.030 . 1 . . . . 38 VAL HG1 . 11242 1 413 . 1 1 38 38 VAL HG12 H 1 0.719 0.030 . 1 . . . . 38 VAL HG1 . 11242 1 414 . 1 1 38 38 VAL HG13 H 1 0.719 0.030 . 1 . . . . 38 VAL HG1 . 11242 1 415 . 1 1 38 38 VAL HG21 H 1 0.745 0.030 . 1 . . . . 38 VAL HG2 . 11242 1 416 . 1 1 38 38 VAL HG22 H 1 0.745 0.030 . 1 . . . . 38 VAL HG2 . 11242 1 417 . 1 1 38 38 VAL HG23 H 1 0.745 0.030 . 1 . . . . 38 VAL HG2 . 11242 1 418 . 1 1 38 38 VAL C C 13 173.193 0.300 . 1 . . . . 38 VAL C . 11242 1 419 . 1 1 38 38 VAL CA C 13 62.149 0.300 . 1 . . . . 38 VAL CA . 11242 1 420 . 1 1 38 38 VAL CB C 13 30.119 0.300 . 1 . . . . 38 VAL CB . 11242 1 421 . 1 1 38 38 VAL CG1 C 13 19.189 0.300 . 2 . . . . 38 VAL CG1 . 11242 1 422 . 1 1 38 38 VAL CG2 C 13 18.132 0.300 . 2 . . . . 38 VAL CG2 . 11242 1 423 . 1 1 38 38 VAL N N 15 126.135 0.300 . 1 . . . . 38 VAL N . 11242 1 424 . 1 1 39 39 ASP H H 1 8.238 0.030 . 1 . . . . 39 ASP H . 11242 1 425 . 1 1 39 39 ASP HA H 1 4.346 0.030 . 1 . . . . 39 ASP HA . 11242 1 426 . 1 1 39 39 ASP HB2 H 1 2.990 0.030 . 1 . . . . 39 ASP HB2 . 11242 1 427 . 1 1 39 39 ASP HB3 H 1 2.990 0.030 . 1 . . . . 39 ASP HB3 . 11242 1 428 . 1 1 39 39 ASP C C 13 172.793 0.300 . 1 . . . . 39 ASP C . 11242 1 429 . 1 1 39 39 ASP CA C 13 50.820 0.300 . 1 . . . . 39 ASP CA . 11242 1 430 . 1 1 39 39 ASP CB C 13 37.762 0.300 . 1 . . . . 39 ASP CB . 11242 1 431 . 1 1 39 39 ASP N N 15 118.245 0.300 . 1 . . . . 39 ASP N . 11242 1 432 . 1 1 40 40 LYS H H 1 8.087 0.030 . 1 . . . . 40 LYS H . 11242 1 433 . 1 1 40 40 LYS HA H 1 3.979 0.030 . 1 . . . . 40 LYS HA . 11242 1 434 . 1 1 40 40 LYS HB2 H 1 1.704 0.030 . 1 . . . . 40 LYS HB2 . 11242 1 435 . 1 1 40 40 LYS HB3 H 1 1.704 0.030 . 1 . . . . 40 LYS HB3 . 11242 1 436 . 1 1 40 40 LYS HD2 H 1 1.565 0.030 . 1 . . . . 40 LYS HD2 . 11242 1 437 . 1 1 40 40 LYS HD3 H 1 1.565 0.030 . 1 . . . . 40 LYS HD3 . 11242 1 438 . 1 1 40 40 LYS HE2 H 1 2.894 0.030 . 1 . . . . 40 LYS HE2 . 11242 1 439 . 1 1 40 40 LYS HE3 H 1 2.894 0.030 . 1 . . . . 40 LYS HE3 . 11242 1 440 . 1 1 40 40 LYS HG2 H 1 1.314 0.030 . 1 . . . . 40 LYS HG2 . 11242 1 441 . 1 1 40 40 LYS HG3 H 1 1.314 0.030 . 1 . . . . 40 LYS HG3 . 11242 1 442 . 1 1 40 40 LYS C C 13 174.215 0.300 . 1 . . . . 40 LYS C . 11242 1 443 . 1 1 40 40 LYS CA C 13 55.807 0.300 . 1 . . . . 40 LYS CA . 11242 1 444 . 1 1 40 40 LYS CB C 13 29.119 0.300 . 1 . . . . 40 LYS CB . 11242 1 445 . 1 1 40 40 LYS CD C 13 26.237 0.300 . 1 . . . . 40 LYS CD . 11242 1 446 . 1 1 40 40 LYS CE C 13 39.551 0.300 . 1 . . . . 40 LYS CE . 11242 1 447 . 1 1 40 40 LYS CG C 13 21.742 0.300 . 1 . . . . 40 LYS CG . 11242 1 448 . 1 1 40 40 LYS N N 15 114.069 0.300 . 1 . . . . 40 LYS N . 11242 1 449 . 1 1 41 41 ASN H H 1 8.682 0.030 . 1 . . . . 41 ASN H . 11242 1 450 . 1 1 41 41 ASN HA H 1 4.622 0.030 . 1 . . . . 41 ASN HA . 11242 1 451 . 1 1 41 41 ASN HB2 H 1 2.275 0.030 . 2 . . . . 41 ASN HB2 . 11242 1 452 . 1 1 41 41 ASN HB3 H 1 2.600 0.030 . 2 . . . . 41 ASN HB3 . 11242 1 453 . 1 1 41 41 ASN HD21 H 1 6.755 0.030 . 2 . . . . 41 ASN HD21 . 11242 1 454 . 1 1 41 41 ASN HD22 H 1 7.653 0.030 . 2 . . . . 41 ASN HD22 . 11242 1 455 . 1 1 41 41 ASN C C 13 173.344 0.300 . 1 . . . . 41 ASN C . 11242 1 456 . 1 1 41 41 ASN CA C 13 51.171 0.300 . 1 . . . . 41 ASN CA . 11242 1 457 . 1 1 41 41 ASN CB C 13 38.355 0.300 . 1 . . . . 41 ASN CB . 11242 1 458 . 1 1 41 41 ASN N N 15 114.378 0.300 . 1 . . . . 41 ASN N . 11242 1 459 . 1 1 41 41 ASN ND2 N 15 114.120 0.300 . 1 . . . . 41 ASN ND2 . 11242 1 460 . 1 1 42 42 TRP H H 1 8.125 0.030 . 1 . . . . 42 TRP H . 11242 1 461 . 1 1 42 42 TRP HA H 1 4.729 0.030 . 1 . . . . 42 TRP HA . 11242 1 462 . 1 1 42 42 TRP HB2 H 1 2.761 0.030 . 2 . . . . 42 TRP HB2 . 11242 1 463 . 1 1 42 42 TRP HB3 H 1 2.683 0.030 . 2 . . . . 42 TRP HB3 . 11242 1 464 . 1 1 42 42 TRP HD1 H 1 7.679 0.030 . 1 . . . . 42 TRP HD1 . 11242 1 465 . 1 1 42 42 TRP HE1 H 1 10.048 0.030 . 1 . . . . 42 TRP HE1 . 11242 1 466 . 1 1 42 42 TRP HE3 H 1 6.950 0.030 . 1 . . . . 42 TRP HE3 . 11242 1 467 . 1 1 42 42 TRP HH2 H 1 7.216 0.030 . 1 . . . . 42 TRP HH2 . 11242 1 468 . 1 1 42 42 TRP HZ2 H 1 7.373 0.030 . 1 . . . . 42 TRP HZ2 . 11242 1 469 . 1 1 42 42 TRP HZ3 H 1 6.540 0.030 . 1 . . . . 42 TRP HZ3 . 11242 1 470 . 1 1 42 42 TRP C C 13 171.163 0.300 . 1 . . . . 42 TRP C . 11242 1 471 . 1 1 42 42 TRP CA C 13 54.451 0.300 . 1 . . . . 42 TRP CA . 11242 1 472 . 1 1 42 42 TRP CB C 13 29.588 0.300 . 1 . . . . 42 TRP CB . 11242 1 473 . 1 1 42 42 TRP CD1 C 13 126.679 0.300 . 1 . . . . 42 TRP CD1 . 11242 1 474 . 1 1 42 42 TRP CE3 C 13 117.451 0.300 . 1 . . . . 42 TRP CE3 . 11242 1 475 . 1 1 42 42 TRP CH2 C 13 122.075 0.300 . 1 . . . . 42 TRP CH2 . 11242 1 476 . 1 1 42 42 TRP CZ2 C 13 111.943 0.300 . 1 . . . . 42 TRP CZ2 . 11242 1 477 . 1 1 42 42 TRP CZ3 C 13 117.473 0.300 . 1 . . . . 42 TRP CZ3 . 11242 1 478 . 1 1 42 42 TRP N N 15 122.038 0.300 . 1 . . . . 42 TRP N . 11242 1 479 . 1 1 42 42 TRP NE1 N 15 128.862 0.300 . 1 . . . . 42 TRP NE1 . 11242 1 480 . 1 1 43 43 LEU H H 1 8.629 0.030 . 1 . . . . 43 LEU H . 11242 1 481 . 1 1 43 43 LEU HA H 1 4.663 0.030 . 1 . . . . 43 LEU HA . 11242 1 482 . 1 1 43 43 LEU HB2 H 1 0.860 0.030 . 1 . . . . 43 LEU HB2 . 11242 1 483 . 1 1 43 43 LEU HB3 H 1 0.860 0.030 . 1 . . . . 43 LEU HB3 . 11242 1 484 . 1 1 43 43 LEU HD11 H 1 0.778 0.030 . 1 . . . . 43 LEU HD1 . 11242 1 485 . 1 1 43 43 LEU HD12 H 1 0.778 0.030 . 1 . . . . 43 LEU HD1 . 11242 1 486 . 1 1 43 43 LEU HD13 H 1 0.778 0.030 . 1 . . . . 43 LEU HD1 . 11242 1 487 . 1 1 43 43 LEU HD21 H 1 0.823 0.030 . 1 . . . . 43 LEU HD2 . 11242 1 488 . 1 1 43 43 LEU HD22 H 1 0.823 0.030 . 1 . . . . 43 LEU HD2 . 11242 1 489 . 1 1 43 43 LEU HD23 H 1 0.823 0.030 . 1 . . . . 43 LEU HD2 . 11242 1 490 . 1 1 43 43 LEU HG H 1 1.210 0.030 . 1 . . . . 43 LEU HG . 11242 1 491 . 1 1 43 43 LEU C C 13 171.025 0.300 . 1 . . . . 43 LEU C . 11242 1 492 . 1 1 43 43 LEU CA C 13 50.143 0.300 . 1 . . . . 43 LEU CA . 11242 1 493 . 1 1 43 43 LEU CB C 13 42.207 0.300 . 1 . . . . 43 LEU CB . 11242 1 494 . 1 1 43 43 LEU CD1 C 13 23.970 0.300 . 2 . . . . 43 LEU CD1 . 11242 1 495 . 1 1 43 43 LEU CD2 C 13 20.918 0.300 . 2 . . . . 43 LEU CD2 . 11242 1 496 . 1 1 43 43 LEU CG C 13 24.344 0.300 . 1 . . . . 43 LEU CG . 11242 1 497 . 1 1 43 43 LEU N N 15 121.649 0.300 . 1 . . . . 43 LEU N . 11242 1 498 . 1 1 44 44 GLU H H 1 8.566 0.030 . 1 . . . . 44 GLU H . 11242 1 499 . 1 1 44 44 GLU HA H 1 4.847 0.030 . 1 . . . . 44 GLU HA . 11242 1 500 . 1 1 44 44 GLU HB2 H 1 1.636 0.030 . 2 . . . . 44 GLU HB2 . 11242 1 501 . 1 1 44 44 GLU HB3 H 1 1.907 0.030 . 2 . . . . 44 GLU HB3 . 11242 1 502 . 1 1 44 44 GLU HG2 H 1 1.900 0.030 . 2 . . . . 44 GLU HG2 . 11242 1 503 . 1 1 44 44 GLU HG3 H 1 1.838 0.030 . 2 . . . . 44 GLU HG3 . 11242 1 504 . 1 1 44 44 GLU C C 13 173.981 0.300 . 1 . . . . 44 GLU C . 11242 1 505 . 1 1 44 44 GLU CA C 13 51.497 0.300 . 1 . . . . 44 GLU CA . 11242 1 506 . 1 1 44 44 GLU CB C 13 30.385 0.300 . 1 . . . . 44 GLU CB . 11242 1 507 . 1 1 44 44 GLU CG C 13 35.029 0.300 . 1 . . . . 44 GLU CG . 11242 1 508 . 1 1 44 44 GLU N N 15 118.400 0.300 . 1 . . . . 44 GLU N . 11242 1 509 . 1 1 45 45 GLY H H 1 9.245 0.030 . 1 . . . . 45 GLY H . 11242 1 510 . 1 1 45 45 GLY HA2 H 1 4.281 0.030 . 1 . . . . 45 GLY HA2 . 11242 1 511 . 1 1 45 45 GLY HA3 H 1 4.281 0.030 . 1 . . . . 45 GLY HA3 . 11242 1 512 . 1 1 45 45 GLY C C 13 166.893 0.300 . 1 . . . . 45 GLY C . 11242 1 513 . 1 1 45 45 GLY CA C 13 43.858 0.300 . 1 . . . . 45 GLY CA . 11242 1 514 . 1 1 45 45 GLY N N 15 114.842 0.300 . 1 . . . . 45 GLY N . 11242 1 515 . 1 1 46 46 GLU H H 1 8.845 0.030 . 1 . . . . 46 GLU H . 11242 1 516 . 1 1 46 46 GLU HA H 1 5.752 0.030 . 1 . . . . 46 GLU HA . 11242 1 517 . 1 1 46 46 GLU HB2 H 1 1.841 0.030 . 2 . . . . 46 GLU HB2 . 11242 1 518 . 1 1 46 46 GLU HB3 H 1 2.012 0.030 . 2 . . . . 46 GLU HB3 . 11242 1 519 . 1 1 46 46 GLU HG2 H 1 2.196 0.030 . 2 . . . . 46 GLU HG2 . 11242 1 520 . 1 1 46 46 GLU HG3 H 1 2.108 0.030 . 2 . . . . 46 GLU HG3 . 11242 1 521 . 1 1 46 46 GLU C C 13 172.473 0.300 . 1 . . . . 46 GLU C . 11242 1 522 . 1 1 46 46 GLU CA C 13 51.343 0.300 . 1 . . . . 46 GLU CA . 11242 1 523 . 1 1 46 46 GLU CB C 13 32.550 0.300 . 1 . . . . 46 GLU CB . 11242 1 524 . 1 1 46 46 GLU CG C 13 33.605 0.300 . 1 . . . . 46 GLU CG . 11242 1 525 . 1 1 46 46 GLU N N 15 118.480 0.300 . 1 . . . . 46 GLU N . 11242 1 526 . 1 1 47 47 HIS H H 1 8.796 0.030 . 1 . . . . 47 HIS H . 11242 1 527 . 1 1 47 47 HIS HA H 1 4.686 0.030 . 1 . . . . 47 HIS HA . 11242 1 528 . 1 1 47 47 HIS HB2 H 1 2.880 0.030 . 1 . . . . 47 HIS HB2 . 11242 1 529 . 1 1 47 47 HIS HB3 H 1 2.880 0.030 . 1 . . . . 47 HIS HB3 . 11242 1 530 . 1 1 47 47 HIS HD2 H 1 7.223 0.030 . 1 . . . . 47 HIS HD2 . 11242 1 531 . 1 1 47 47 HIS HE1 H 1 7.551 0.030 . 1 . . . . 47 HIS HE1 . 11242 1 532 . 1 1 47 47 HIS CA C 13 53.926 0.300 . 1 . . . . 47 HIS CA . 11242 1 533 . 1 1 47 47 HIS CB C 13 32.173 0.300 . 1 . . . . 47 HIS CB . 11242 1 534 . 1 1 47 47 HIS CD2 C 13 117.425 0.300 . 1 . . . . 47 HIS CD2 . 11242 1 535 . 1 1 47 47 HIS CE1 C 13 135.104 0.300 . 1 . . . . 47 HIS CE1 . 11242 1 536 . 1 1 47 47 HIS N N 15 122.378 0.300 . 1 . . . . 47 HIS N . 11242 1 537 . 1 1 48 48 HIS HA H 1 4.097 0.030 . 1 . . . . 48 HIS HA . 11242 1 538 . 1 1 48 48 HIS HB2 H 1 3.184 0.030 . 2 . . . . 48 HIS HB2 . 11242 1 539 . 1 1 48 48 HIS HB3 H 1 2.648 0.030 . 2 . . . . 48 HIS HB3 . 11242 1 540 . 1 1 48 48 HIS HE1 H 1 8.074 0.030 . 1 . . . . 48 HIS HE1 . 11242 1 541 . 1 1 48 48 HIS CA C 13 53.092 0.300 . 1 . . . . 48 HIS CA . 11242 1 542 . 1 1 48 48 HIS CB C 13 25.674 0.300 . 1 . . . . 48 HIS CB . 11242 1 543 . 1 1 48 48 HIS CE1 C 13 134.375 0.300 . 1 . . . . 48 HIS CE1 . 11242 1 544 . 1 1 49 49 GLY HA2 H 1 3.639 0.030 . 2 . . . . 49 GLY HA2 . 11242 1 545 . 1 1 49 49 GLY HA3 H 1 4.054 0.030 . 2 . . . . 49 GLY HA3 . 11242 1 546 . 1 1 49 49 GLY C C 13 171.190 0.300 . 1 . . . . 49 GLY C . 11242 1 547 . 1 1 49 49 GLY CA C 13 42.962 0.300 . 1 . . . . 49 GLY CA . 11242 1 548 . 1 1 50 50 ARG H H 1 7.944 0.030 . 1 . . . . 50 ARG H . 11242 1 549 . 1 1 50 50 ARG HA H 1 4.549 0.030 . 1 . . . . 50 ARG HA . 11242 1 550 . 1 1 50 50 ARG HB2 H 1 1.828 0.030 . 2 . . . . 50 ARG HB2 . 11242 1 551 . 1 1 50 50 ARG HB3 H 1 1.947 0.030 . 2 . . . . 50 ARG HB3 . 11242 1 552 . 1 1 50 50 ARG HD2 H 1 3.264 0.030 . 1 . . . . 50 ARG HD2 . 11242 1 553 . 1 1 50 50 ARG HD3 H 1 3.264 0.030 . 1 . . . . 50 ARG HD3 . 11242 1 554 . 1 1 50 50 ARG HG2 H 1 1.688 0.030 . 2 . . . . 50 ARG HG2 . 11242 1 555 . 1 1 50 50 ARG HG3 H 1 1.597 0.030 . 2 . . . . 50 ARG HG3 . 11242 1 556 . 1 1 50 50 ARG C C 13 171.368 0.300 . 1 . . . . 50 ARG C . 11242 1 557 . 1 1 50 50 ARG CA C 13 52.452 0.300 . 1 . . . . 50 ARG CA . 11242 1 558 . 1 1 50 50 ARG CB C 13 29.581 0.300 . 1 . . . . 50 ARG CB . 11242 1 559 . 1 1 50 50 ARG CD C 13 41.049 0.300 . 1 . . . . 50 ARG CD . 11242 1 560 . 1 1 50 50 ARG CG C 13 24.540 0.300 . 1 . . . . 50 ARG CG . 11242 1 561 . 1 1 50 50 ARG N N 15 121.494 0.300 . 1 . . . . 50 ARG N . 11242 1 562 . 1 1 51 51 LEU H H 1 8.277 0.030 . 1 . . . . 51 LEU H . 11242 1 563 . 1 1 51 51 LEU HA H 1 5.266 0.030 . 1 . . . . 51 LEU HA . 11242 1 564 . 1 1 51 51 LEU HB2 H 1 1.547 0.030 . 2 . . . . 51 LEU HB2 . 11242 1 565 . 1 1 51 51 LEU HB3 H 1 1.463 0.030 . 2 . . . . 51 LEU HB3 . 11242 1 566 . 1 1 51 51 LEU HD11 H 1 0.663 0.030 . 1 . . . . 51 LEU HD1 . 11242 1 567 . 1 1 51 51 LEU HD12 H 1 0.663 0.030 . 1 . . . . 51 LEU HD1 . 11242 1 568 . 1 1 51 51 LEU HD13 H 1 0.663 0.030 . 1 . . . . 51 LEU HD1 . 11242 1 569 . 1 1 51 51 LEU HD21 H 1 0.653 0.030 . 1 . . . . 51 LEU HD2 . 11242 1 570 . 1 1 51 51 LEU HD22 H 1 0.653 0.030 . 1 . . . . 51 LEU HD2 . 11242 1 571 . 1 1 51 51 LEU HD23 H 1 0.653 0.030 . 1 . . . . 51 LEU HD2 . 11242 1 572 . 1 1 51 51 LEU HG H 1 1.445 0.030 . 1 . . . . 51 LEU HG . 11242 1 573 . 1 1 51 51 LEU C C 13 175.057 0.300 . 1 . . . . 51 LEU C . 11242 1 574 . 1 1 51 51 LEU CA C 13 50.898 0.300 . 1 . . . . 51 LEU CA . 11242 1 575 . 1 1 51 51 LEU CB C 13 42.149 0.300 . 1 . . . . 51 LEU CB . 11242 1 576 . 1 1 51 51 LEU CD1 C 13 22.016 0.300 . 2 . . . . 51 LEU CD1 . 11242 1 577 . 1 1 51 51 LEU CD2 C 13 22.149 0.300 . 2 . . . . 51 LEU CD2 . 11242 1 578 . 1 1 51 51 LEU CG C 13 25.184 0.300 . 1 . . . . 51 LEU CG . 11242 1 579 . 1 1 51 51 LEU N N 15 123.814 0.300 . 1 . . . . 51 LEU N . 11242 1 580 . 1 1 52 52 GLY H H 1 8.837 0.030 . 1 . . . . 52 GLY H . 11242 1 581 . 1 1 52 52 GLY HA2 H 1 4.001 0.030 . 2 . . . . 52 GLY HA2 . 11242 1 582 . 1 1 52 52 GLY HA3 H 1 4.299 0.030 . 2 . . . . 52 GLY HA3 . 11242 1 583 . 1 1 52 52 GLY C C 13 168.611 0.300 . 1 . . . . 52 GLY C . 11242 1 584 . 1 1 52 52 GLY CA C 13 43.536 0.300 . 1 . . . . 52 GLY CA . 11242 1 585 . 1 1 52 52 GLY N N 15 110.975 0.300 . 1 . . . . 52 GLY N . 11242 1 586 . 1 1 53 53 ILE H H 1 8.332 0.030 . 1 . . . . 53 ILE H . 11242 1 587 . 1 1 53 53 ILE HA H 1 5.831 0.030 . 1 . . . . 53 ILE HA . 11242 1 588 . 1 1 53 53 ILE HB H 1 1.753 0.030 . 1 . . . . 53 ILE HB . 11242 1 589 . 1 1 53 53 ILE HD11 H 1 0.051 0.030 . 1 . . . . 53 ILE HD1 . 11242 1 590 . 1 1 53 53 ILE HD12 H 1 0.051 0.030 . 1 . . . . 53 ILE HD1 . 11242 1 591 . 1 1 53 53 ILE HD13 H 1 0.051 0.030 . 1 . . . . 53 ILE HD1 . 11242 1 592 . 1 1 53 53 ILE HG12 H 1 1.184 0.030 . 2 . . . . 53 ILE HG12 . 11242 1 593 . 1 1 53 53 ILE HG13 H 1 0.691 0.030 . 2 . . . . 53 ILE HG13 . 11242 1 594 . 1 1 53 53 ILE HG21 H 1 0.682 0.030 . 1 . . . . 53 ILE HG2 . 11242 1 595 . 1 1 53 53 ILE HG22 H 1 0.682 0.030 . 1 . . . . 53 ILE HG2 . 11242 1 596 . 1 1 53 53 ILE HG23 H 1 0.682 0.030 . 1 . . . . 53 ILE HG2 . 11242 1 597 . 1 1 53 53 ILE C C 13 173.356 0.300 . 1 . . . . 53 ILE C . 11242 1 598 . 1 1 53 53 ILE CA C 13 56.952 0.300 . 1 . . . . 53 ILE CA . 11242 1 599 . 1 1 53 53 ILE CB C 13 38.889 0.300 . 1 . . . . 53 ILE CB . 11242 1 600 . 1 1 53 53 ILE CD1 C 13 10.067 0.300 . 1 . . . . 53 ILE CD1 . 11242 1 601 . 1 1 53 53 ILE CG1 C 13 23.725 0.300 . 1 . . . . 53 ILE CG1 . 11242 1 602 . 1 1 53 53 ILE CG2 C 13 14.710 0.300 . 1 . . . . 53 ILE CG2 . 11242 1 603 . 1 1 53 53 ILE N N 15 112.676 0.300 . 1 . . . . 53 ILE N . 11242 1 604 . 1 1 54 54 PHE H H 1 8.144 0.030 . 1 . . . . 54 PHE H . 11242 1 605 . 1 1 54 54 PHE HA H 1 4.688 0.030 . 1 . . . . 54 PHE HA . 11242 1 606 . 1 1 54 54 PHE HB2 H 1 2.176 0.030 . 2 . . . . 54 PHE HB2 . 11242 1 607 . 1 1 54 54 PHE HB3 H 1 3.147 0.030 . 2 . . . . 54 PHE HB3 . 11242 1 608 . 1 1 54 54 PHE HD1 H 1 6.609 0.030 . 1 . . . . 54 PHE HD1 . 11242 1 609 . 1 1 54 54 PHE HD2 H 1 6.609 0.030 . 1 . . . . 54 PHE HD2 . 11242 1 610 . 1 1 54 54 PHE HE1 H 1 6.692 0.030 . 1 . . . . 54 PHE HE1 . 11242 1 611 . 1 1 54 54 PHE HE2 H 1 6.692 0.030 . 1 . . . . 54 PHE HE2 . 11242 1 612 . 1 1 54 54 PHE HZ H 1 6.576 0.030 . 1 . . . . 54 PHE HZ . 11242 1 613 . 1 1 54 54 PHE C C 13 168.782 0.300 . 1 . . . . 54 PHE C . 11242 1 614 . 1 1 54 54 PHE CA C 13 51.749 0.300 . 1 . . . . 54 PHE CA . 11242 1 615 . 1 1 54 54 PHE CB C 13 34.636 0.300 . 1 . . . . 54 PHE CB . 11242 1 616 . 1 1 54 54 PHE CD1 C 13 130.297 0.300 . 1 . . . . 54 PHE CD1 . 11242 1 617 . 1 1 54 54 PHE CD2 C 13 130.297 0.300 . 1 . . . . 54 PHE CD2 . 11242 1 618 . 1 1 54 54 PHE CE1 C 13 127.763 0.300 . 1 . . . . 54 PHE CE1 . 11242 1 619 . 1 1 54 54 PHE CE2 C 13 127.763 0.300 . 1 . . . . 54 PHE CE2 . 11242 1 620 . 1 1 54 54 PHE CZ C 13 124.974 0.300 . 1 . . . . 54 PHE CZ . 11242 1 621 . 1 1 54 54 PHE N N 15 115.461 0.300 . 1 . . . . 54 PHE N . 11242 1 622 . 1 1 55 55 PRO HA H 1 3.656 0.030 . 1 . . . . 55 PRO HA . 11242 1 623 . 1 1 55 55 PRO HB2 H 1 1.148 0.030 . 2 . . . . 55 PRO HB2 . 11242 1 624 . 1 1 55 55 PRO HB3 H 1 1.399 0.030 . 2 . . . . 55 PRO HB3 . 11242 1 625 . 1 1 55 55 PRO HD2 H 1 1.761 0.030 . 2 . . . . 55 PRO HD2 . 11242 1 626 . 1 1 55 55 PRO HD3 H 1 1.896 0.030 . 2 . . . . 55 PRO HD3 . 11242 1 627 . 1 1 55 55 PRO HG2 H 1 0.471 0.030 . 2 . . . . 55 PRO HG2 . 11242 1 628 . 1 1 55 55 PRO HG3 H 1 0.354 0.030 . 2 . . . . 55 PRO HG3 . 11242 1 629 . 1 1 55 55 PRO C C 13 175.608 0.300 . 1 . . . . 55 PRO C . 11242 1 630 . 1 1 55 55 PRO CA C 13 59.742 0.300 . 1 . . . . 55 PRO CA . 11242 1 631 . 1 1 55 55 PRO CB C 13 29.057 0.300 . 1 . . . . 55 PRO CB . 11242 1 632 . 1 1 55 55 PRO CD C 13 47.301 0.300 . 1 . . . . 55 PRO CD . 11242 1 633 . 1 1 55 55 PRO CG C 13 25.388 0.300 . 1 . . . . 55 PRO CG . 11242 1 634 . 1 1 56 56 ALA H H 1 7.837 0.030 . 1 . . . . 56 ALA H . 11242 1 635 . 1 1 56 56 ALA HA H 1 3.763 0.030 . 1 . . . . 56 ALA HA . 11242 1 636 . 1 1 56 56 ALA HB1 H 1 1.096 0.030 . 1 . . . . 56 ALA HB . 11242 1 637 . 1 1 56 56 ALA HB2 H 1 1.096 0.030 . 1 . . . . 56 ALA HB . 11242 1 638 . 1 1 56 56 ALA HB3 H 1 1.096 0.030 . 1 . . . . 56 ALA HB . 11242 1 639 . 1 1 56 56 ALA C C 13 176.451 0.300 . 1 . . . . 56 ALA C . 11242 1 640 . 1 1 56 56 ALA CA C 13 51.904 0.300 . 1 . . . . 56 ALA CA . 11242 1 641 . 1 1 56 56 ALA CB C 13 15.375 0.300 . 1 . . . . 56 ALA CB . 11242 1 642 . 1 1 56 56 ALA N N 15 125.052 0.300 . 1 . . . . 56 ALA N . 11242 1 643 . 1 1 57 57 ASN H H 1 8.448 0.030 . 1 . . . . 57 ASN H . 11242 1 644 . 1 1 57 57 ASN HA H 1 4.689 0.030 . 1 . . . . 57 ASN HA . 11242 1 645 . 1 1 57 57 ASN HB2 H 1 2.727 0.030 . 2 . . . . 57 ASN HB2 . 11242 1 646 . 1 1 57 57 ASN HB3 H 1 2.982 0.030 . 2 . . . . 57 ASN HB3 . 11242 1 647 . 1 1 57 57 ASN HD21 H 1 7.454 0.030 . 2 . . . . 57 ASN HD21 . 11242 1 648 . 1 1 57 57 ASN HD22 H 1 6.640 0.030 . 2 . . . . 57 ASN HD22 . 11242 1 649 . 1 1 57 57 ASN C C 13 172.966 0.300 . 1 . . . . 57 ASN C . 11242 1 650 . 1 1 57 57 ASN CA C 13 50.820 0.300 . 1 . . . . 57 ASN CA . 11242 1 651 . 1 1 57 57 ASN CB C 13 34.104 0.300 . 1 . . . . 57 ASN CB . 11242 1 652 . 1 1 57 57 ASN N N 15 111.016 0.300 . 1 . . . . 57 ASN N . 11242 1 653 . 1 1 57 57 ASN ND2 N 15 110.812 0.300 . 1 . . . . 57 ASN ND2 . 11242 1 654 . 1 1 58 58 TYR H H 1 7.618 0.030 . 1 . . . . 58 TYR H . 11242 1 655 . 1 1 58 58 TYR HA H 1 4.614 0.030 . 1 . . . . 58 TYR HA . 11242 1 656 . 1 1 58 58 TYR HB2 H 1 3.191 0.030 . 2 . . . . 58 TYR HB2 . 11242 1 657 . 1 1 58 58 TYR HB3 H 1 3.123 0.030 . 2 . . . . 58 TYR HB3 . 11242 1 658 . 1 1 58 58 TYR HD1 H 1 6.977 0.030 . 1 . . . . 58 TYR HD1 . 11242 1 659 . 1 1 58 58 TYR HD2 H 1 6.977 0.030 . 1 . . . . 58 TYR HD2 . 11242 1 660 . 1 1 58 58 TYR HE1 H 1 7.014 0.030 . 1 . . . . 58 TYR HE1 . 11242 1 661 . 1 1 58 58 TYR HE2 H 1 7.014 0.030 . 1 . . . . 58 TYR HE2 . 11242 1 662 . 1 1 58 58 TYR C C 13 172.675 0.300 . 1 . . . . 58 TYR C . 11242 1 663 . 1 1 58 58 TYR CA C 13 55.715 0.300 . 1 . . . . 58 TYR CA . 11242 1 664 . 1 1 58 58 TYR CB C 13 35.511 0.300 . 1 . . . . 58 TYR CB . 11242 1 665 . 1 1 58 58 TYR CD1 C 13 128.899 0.300 . 1 . . . . 58 TYR CD1 . 11242 1 666 . 1 1 58 58 TYR CD2 C 13 128.899 0.300 . 1 . . . . 58 TYR CD2 . 11242 1 667 . 1 1 58 58 TYR CE1 C 13 116.244 0.300 . 1 . . . . 58 TYR CE1 . 11242 1 668 . 1 1 58 58 TYR CE2 C 13 116.244 0.300 . 1 . . . . 58 TYR CE2 . 11242 1 669 . 1 1 58 58 TYR N N 15 118.245 0.300 . 1 . . . . 58 TYR N . 11242 1 670 . 1 1 59 59 VAL H H 1 7.204 0.030 . 1 . . . . 59 VAL H . 11242 1 671 . 1 1 59 59 VAL HA H 1 5.237 0.030 . 1 . . . . 59 VAL HA . 11242 1 672 . 1 1 59 59 VAL HB H 1 1.719 0.030 . 1 . . . . 59 VAL HB . 11242 1 673 . 1 1 59 59 VAL HG11 H 1 0.678 0.030 . 1 . . . . 59 VAL HG1 . 11242 1 674 . 1 1 59 59 VAL HG12 H 1 0.678 0.030 . 1 . . . . 59 VAL HG1 . 11242 1 675 . 1 1 59 59 VAL HG13 H 1 0.678 0.030 . 1 . . . . 59 VAL HG1 . 11242 1 676 . 1 1 59 59 VAL HG21 H 1 0.724 0.030 . 1 . . . . 59 VAL HG2 . 11242 1 677 . 1 1 59 59 VAL HG22 H 1 0.724 0.030 . 1 . . . . 59 VAL HG2 . 11242 1 678 . 1 1 59 59 VAL HG23 H 1 0.724 0.030 . 1 . . . . 59 VAL HG2 . 11242 1 679 . 1 1 59 59 VAL C C 13 171.384 0.300 . 1 . . . . 59 VAL C . 11242 1 680 . 1 1 59 59 VAL CA C 13 55.992 0.300 . 1 . . . . 59 VAL CA . 11242 1 681 . 1 1 59 59 VAL CB C 13 31.956 0.300 . 1 . . . . 59 VAL CB . 11242 1 682 . 1 1 59 59 VAL CG1 C 13 19.813 0.300 . 2 . . . . 59 VAL CG1 . 11242 1 683 . 1 1 59 59 VAL CG2 C 13 15.640 0.300 . 2 . . . . 59 VAL CG2 . 11242 1 684 . 1 1 59 59 VAL N N 15 109.428 0.300 . 1 . . . . 59 VAL N . 11242 1 685 . 1 1 60 60 GLU H H 1 8.704 0.030 . 1 . . . . 60 GLU H . 11242 1 686 . 1 1 60 60 GLU HA H 1 4.579 0.030 . 1 . . . . 60 GLU HA . 11242 1 687 . 1 1 60 60 GLU HB2 H 1 1.841 0.030 . 2 . . . . 60 GLU HB2 . 11242 1 688 . 1 1 60 60 GLU HB3 H 1 1.632 0.030 . 2 . . . . 60 GLU HB3 . 11242 1 689 . 1 1 60 60 GLU HG2 H 1 2.044 0.030 . 2 . . . . 60 GLU HG2 . 11242 1 690 . 1 1 60 60 GLU HG3 H 1 1.968 0.030 . 2 . . . . 60 GLU HG3 . 11242 1 691 . 1 1 60 60 GLU C C 13 172.870 0.300 . 1 . . . . 60 GLU C . 11242 1 692 . 1 1 60 60 GLU CA C 13 51.158 0.300 . 1 . . . . 60 GLU CA . 11242 1 693 . 1 1 60 60 GLU CB C 13 29.455 0.300 . 1 . . . . 60 GLU CB . 11242 1 694 . 1 1 60 60 GLU CG C 13 33.015 0.300 . 1 . . . . 60 GLU CG . 11242 1 695 . 1 1 60 60 GLU N N 15 121.494 0.300 . 1 . . . . 60 GLU N . 11242 1 696 . 1 1 61 61 VAL H H 1 8.732 0.030 . 1 . . . . 61 VAL H . 11242 1 697 . 1 1 61 61 VAL HA H 1 3.770 0.030 . 1 . . . . 61 VAL HA . 11242 1 698 . 1 1 61 61 VAL HB H 1 1.894 0.030 . 1 . . . . 61 VAL HB . 11242 1 699 . 1 1 61 61 VAL HG11 H 1 0.882 0.030 . 1 . . . . 61 VAL HG1 . 11242 1 700 . 1 1 61 61 VAL HG12 H 1 0.882 0.030 . 1 . . . . 61 VAL HG1 . 11242 1 701 . 1 1 61 61 VAL HG13 H 1 0.882 0.030 . 1 . . . . 61 VAL HG1 . 11242 1 702 . 1 1 61 61 VAL HG21 H 1 0.826 0.030 . 1 . . . . 61 VAL HG2 . 11242 1 703 . 1 1 61 61 VAL HG22 H 1 0.826 0.030 . 1 . . . . 61 VAL HG2 . 11242 1 704 . 1 1 61 61 VAL HG23 H 1 0.826 0.030 . 1 . . . . 61 VAL HG2 . 11242 1 705 . 1 1 61 61 VAL C C 13 173.801 0.300 . 1 . . . . 61 VAL C . 11242 1 706 . 1 1 61 61 VAL CA C 13 61.602 0.300 . 1 . . . . 61 VAL CA . 11242 1 707 . 1 1 61 61 VAL CB C 13 29.100 0.300 . 1 . . . . 61 VAL CB . 11242 1 708 . 1 1 61 61 VAL CG1 C 13 19.090 0.300 . 2 . . . . 61 VAL CG1 . 11242 1 709 . 1 1 61 61 VAL CG2 C 13 19.090 0.300 . 2 . . . . 61 VAL CG2 . 11242 1 710 . 1 1 61 61 VAL N N 15 126.753 0.300 . 1 . . . . 61 VAL N . 11242 1 711 . 1 1 62 62 LEU H H 1 8.437 0.030 . 1 . . . . 62 LEU H . 11242 1 712 . 1 1 62 62 LEU HA H 1 4.324 0.030 . 1 . . . . 62 LEU HA . 11242 1 713 . 1 1 62 62 LEU HB2 H 1 1.447 0.030 . 1 . . . . 62 LEU HB2 . 11242 1 714 . 1 1 62 62 LEU HB3 H 1 1.447 0.030 . 1 . . . . 62 LEU HB3 . 11242 1 715 . 1 1 62 62 LEU HD21 H 1 0.638 0.030 . 1 . . . . 62 LEU HD2 . 11242 1 716 . 1 1 62 62 LEU HD22 H 1 0.638 0.030 . 1 . . . . 62 LEU HD2 . 11242 1 717 . 1 1 62 62 LEU HD23 H 1 0.638 0.030 . 1 . . . . 62 LEU HD2 . 11242 1 718 . 1 1 62 62 LEU HG H 1 1.433 0.030 . 1 . . . . 62 LEU HG . 11242 1 719 . 1 1 62 62 LEU C C 13 174.477 0.300 . 1 . . . . 62 LEU C . 11242 1 720 . 1 1 62 62 LEU CA C 13 52.298 0.300 . 1 . . . . 62 LEU CA . 11242 1 721 . 1 1 62 62 LEU CB C 13 38.916 0.300 . 1 . . . . 62 LEU CB . 11242 1 722 . 1 1 62 62 LEU CD1 C 13 22.443 0.300 . 2 . . . . 62 LEU CD1 . 11242 1 723 . 1 1 62 62 LEU CD2 C 13 19.973 0.300 . 2 . . . . 62 LEU CD2 . 11242 1 724 . 1 1 62 62 LEU CG C 13 24.386 0.300 . 1 . . . . 62 LEU CG . 11242 1 725 . 1 1 62 62 LEU N N 15 128.766 0.300 . 1 . . . . 62 LEU N . 11242 1 726 . 1 1 63 63 SER H H 1 8.269 0.030 . 1 . . . . 63 SER H . 11242 1 727 . 1 1 63 63 SER HA H 1 4.450 0.030 . 1 . . . . 63 SER HA . 11242 1 728 . 1 1 63 63 SER HB2 H 1 3.799 0.030 . 1 . . . . 63 SER HB2 . 11242 1 729 . 1 1 63 63 SER HB3 H 1 3.799 0.030 . 1 . . . . 63 SER HB3 . 11242 1 730 . 1 1 63 63 SER C C 13 171.846 0.300 . 1 . . . . 63 SER C . 11242 1 731 . 1 1 63 63 SER CA C 13 55.530 0.300 . 1 . . . . 63 SER CA . 11242 1 732 . 1 1 63 63 SER CB C 13 61.252 0.300 . 1 . . . . 63 SER CB . 11242 1 733 . 1 1 63 63 SER N N 15 116.389 0.300 . 1 . . . . 63 SER N . 11242 1 734 . 1 1 64 64 GLY H H 1 8.155 0.030 . 1 . . . . 64 GLY H . 11242 1 735 . 1 1 64 64 GLY HA2 H 1 4.043 0.030 . 2 . . . . 64 GLY HA2 . 11242 1 736 . 1 1 64 64 GLY HA3 H 1 4.127 0.030 . 2 . . . . 64 GLY HA3 . 11242 1 737 . 1 1 64 64 GLY C C 13 169.178 0.300 . 1 . . . . 64 GLY C . 11242 1 738 . 1 1 64 64 GLY CA C 13 42.075 0.300 . 1 . . . . 64 GLY CA . 11242 1 739 . 1 1 64 64 GLY N N 15 110.511 0.300 . 1 . . . . 64 GLY N . 11242 1 740 . 1 1 65 65 PRO HA H 1 4.405 0.030 . 1 . . . . 65 PRO HA . 11242 1 741 . 1 1 65 65 PRO HB2 H 1 2.219 0.030 . 2 . . . . 65 PRO HB2 . 11242 1 742 . 1 1 65 65 PRO HB3 H 1 1.904 0.030 . 2 . . . . 65 PRO HB3 . 11242 1 743 . 1 1 65 65 PRO HD2 H 1 3.559 0.030 . 1 . . . . 65 PRO HD2 . 11242 1 744 . 1 1 65 65 PRO HD3 H 1 3.559 0.030 . 1 . . . . 65 PRO HD3 . 11242 1 745 . 1 1 65 65 PRO HG2 H 1 1.943 0.030 . 1 . . . . 65 PRO HG2 . 11242 1 746 . 1 1 65 65 PRO HG3 H 1 1.943 0.030 . 1 . . . . 65 PRO HG3 . 11242 1 747 . 1 1 65 65 PRO C C 13 174.742 0.300 . 1 . . . . 65 PRO C . 11242 1 748 . 1 1 65 65 PRO CA C 13 60.664 0.300 . 1 . . . . 65 PRO CA . 11242 1 749 . 1 1 65 65 PRO CB C 13 29.588 0.300 . 1 . . . . 65 PRO CB . 11242 1 750 . 1 1 65 65 PRO CD C 13 47.162 0.300 . 1 . . . . 65 PRO CD . 11242 1 751 . 1 1 65 65 PRO CG C 13 24.577 0.300 . 1 . . . . 65 PRO CG . 11242 1 752 . 1 1 66 66 SER H H 1 8.418 0.030 . 1 . . . . 66 SER H . 11242 1 753 . 1 1 66 66 SER HA H 1 4.404 0.030 . 1 . . . . 66 SER HA . 11242 1 754 . 1 1 66 66 SER HB2 H 1 3.846 0.030 . 1 . . . . 66 SER HB2 . 11242 1 755 . 1 1 66 66 SER HB3 H 1 3.846 0.030 . 1 . . . . 66 SER HB3 . 11242 1 756 . 1 1 66 66 SER C C 13 171.971 0.300 . 1 . . . . 66 SER C . 11242 1 757 . 1 1 66 66 SER CA C 13 55.644 0.300 . 1 . . . . 66 SER CA . 11242 1 758 . 1 1 66 66 SER CB C 13 61.054 0.300 . 1 . . . . 66 SER CB . 11242 1 759 . 1 1 66 66 SER N N 15 116.172 0.300 . 1 . . . . 66 SER N . 11242 1 760 . 1 1 67 67 SER H H 1 8.213 0.030 . 1 . . . . 67 SER H . 11242 1 761 . 1 1 67 67 SER HA H 1 4.443 0.030 . 1 . . . . 67 SER HA . 11242 1 762 . 1 1 67 67 SER HB2 H 1 3.816 0.030 . 1 . . . . 67 SER HB2 . 11242 1 763 . 1 1 67 67 SER HB3 H 1 3.816 0.030 . 1 . . . . 67 SER HB3 . 11242 1 764 . 1 1 67 67 SER C C 13 171.245 0.300 . 1 . . . . 67 SER C . 11242 1 765 . 1 1 67 67 SER CA C 13 55.776 0.300 . 1 . . . . 67 SER CA . 11242 1 766 . 1 1 67 67 SER CB C 13 61.516 0.300 . 1 . . . . 67 SER CB . 11242 1 767 . 1 1 67 67 SER N N 15 117.682 0.300 . 1 . . . . 67 SER N . 11242 1 768 . 1 1 68 68 GLY H H 1 7.943 0.030 . 1 . . . . 68 GLY H . 11242 1 769 . 1 1 68 68 GLY HA2 H 1 3.700 0.030 . 1 . . . . 68 GLY HA2 . 11242 1 770 . 1 1 68 68 GLY HA3 H 1 3.700 0.030 . 1 . . . . 68 GLY HA3 . 11242 1 771 . 1 1 68 68 GLY C C 13 176.369 0.300 . 1 . . . . 68 GLY C . 11242 1 772 . 1 1 68 68 GLY CA C 13 43.586 0.300 . 1 . . . . 68 GLY CA . 11242 1 773 . 1 1 68 68 GLY N N 15 116.708 0.300 . 1 . . . . 68 GLY N . 11242 1 stop_ save_