data_11179 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11179 _Entry.Title ; Solution structure of the SH3 domain of SH3-domain kinase binding protein 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-21 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-07-20 _Entry.Original_release_date 2011-07-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 K. Inoue . . . 11179 2 F. Hayashi . . . 11179 3 S. Yokoyama . . . 11179 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)' . 11179 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11179 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 288 11179 '15N chemical shifts' 72 11179 '1H chemical shifts' 449 11179 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-07-20 2010-07-21 original author . 11179 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WI7 'BMRB Entry Tracking System' 11179 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11179 _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 SH3 domain of SH3-domain kinase binding 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 K. Inoue . . . 11179 1 2 F. Hayashi . . . 11179 1 3 S. Yokoyama . . . 11179 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11179 _Assembly.ID 1 _Assembly.Name 'SH3-domain kinase binding 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 'SH3 domain' 1 $entity_1 A . yes native no no . . . 11179 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 1wi7 . . . . . . 11179 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11179 _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 ; GSSGSSGRRCQVAFSYLPQN DDELELKVGDIIEVVGEVEE GWWEGVLNGKTGMFPSNFIK ELSGPSSG ; _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 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 1WI7 . "Solution Structure Of The Sh3 Domain Of Sh3-Domain Kinase Binding Protein 1" . . . . . 100.00 68 100.00 100.00 2.04e-39 . . . . 11179 1 2 no PDB 2O2O . "Solution Structure Of Domain B From Human Cin85 Protein" . . . . . 86.76 92 98.31 98.31 1.48e-33 . . . . 11179 1 3 no GB EHB03986 . "hypothetical protein GW7_14492 [Heterocephalus glaber]" . . . . . 86.76 771 98.31 98.31 8.96e-31 . . . . 11179 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11179 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 . 11179 1 2 . SER . 11179 1 3 . SER . 11179 1 4 . GLY . 11179 1 5 . SER . 11179 1 6 . SER . 11179 1 7 . GLY . 11179 1 8 . ARG . 11179 1 9 . ARG . 11179 1 10 . CYS . 11179 1 11 . GLN . 11179 1 12 . VAL . 11179 1 13 . ALA . 11179 1 14 . PHE . 11179 1 15 . SER . 11179 1 16 . TYR . 11179 1 17 . LEU . 11179 1 18 . PRO . 11179 1 19 . GLN . 11179 1 20 . ASN . 11179 1 21 . ASP . 11179 1 22 . ASP . 11179 1 23 . GLU . 11179 1 24 . LEU . 11179 1 25 . GLU . 11179 1 26 . LEU . 11179 1 27 . LYS . 11179 1 28 . VAL . 11179 1 29 . GLY . 11179 1 30 . ASP . 11179 1 31 . ILE . 11179 1 32 . ILE . 11179 1 33 . GLU . 11179 1 34 . VAL . 11179 1 35 . VAL . 11179 1 36 . GLY . 11179 1 37 . GLU . 11179 1 38 . VAL . 11179 1 39 . GLU . 11179 1 40 . GLU . 11179 1 41 . GLY . 11179 1 42 . TRP . 11179 1 43 . TRP . 11179 1 44 . GLU . 11179 1 45 . GLY . 11179 1 46 . VAL . 11179 1 47 . LEU . 11179 1 48 . ASN . 11179 1 49 . GLY . 11179 1 50 . LYS . 11179 1 51 . THR . 11179 1 52 . GLY . 11179 1 53 . MET . 11179 1 54 . PHE . 11179 1 55 . PRO . 11179 1 56 . SER . 11179 1 57 . ASN . 11179 1 58 . PHE . 11179 1 59 . ILE . 11179 1 60 . LYS . 11179 1 61 . GLU . 11179 1 62 . LEU . 11179 1 63 . SER . 11179 1 64 . GLY . 11179 1 65 . PRO . 11179 1 66 . SER . 11179 1 67 . SER . 11179 1 68 . GLY . 11179 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 11179 1 . SER 2 2 11179 1 . SER 3 3 11179 1 . GLY 4 4 11179 1 . SER 5 5 11179 1 . SER 6 6 11179 1 . GLY 7 7 11179 1 . ARG 8 8 11179 1 . ARG 9 9 11179 1 . CYS 10 10 11179 1 . GLN 11 11 11179 1 . VAL 12 12 11179 1 . ALA 13 13 11179 1 . PHE 14 14 11179 1 . SER 15 15 11179 1 . TYR 16 16 11179 1 . LEU 17 17 11179 1 . PRO 18 18 11179 1 . GLN 19 19 11179 1 . ASN 20 20 11179 1 . ASP 21 21 11179 1 . ASP 22 22 11179 1 . GLU 23 23 11179 1 . LEU 24 24 11179 1 . GLU 25 25 11179 1 . LEU 26 26 11179 1 . LYS 27 27 11179 1 . VAL 28 28 11179 1 . GLY 29 29 11179 1 . ASP 30 30 11179 1 . ILE 31 31 11179 1 . ILE 32 32 11179 1 . GLU 33 33 11179 1 . VAL 34 34 11179 1 . VAL 35 35 11179 1 . GLY 36 36 11179 1 . GLU 37 37 11179 1 . VAL 38 38 11179 1 . GLU 39 39 11179 1 . GLU 40 40 11179 1 . GLY 41 41 11179 1 . TRP 42 42 11179 1 . TRP 43 43 11179 1 . GLU 44 44 11179 1 . GLY 45 45 11179 1 . VAL 46 46 11179 1 . LEU 47 47 11179 1 . ASN 48 48 11179 1 . GLY 49 49 11179 1 . LYS 50 50 11179 1 . THR 51 51 11179 1 . GLY 52 52 11179 1 . MET 53 53 11179 1 . PHE 54 54 11179 1 . PRO 55 55 11179 1 . SER 56 56 11179 1 . ASN 57 57 11179 1 . PHE 58 58 11179 1 . ILE 59 59 11179 1 . LYS 60 60 11179 1 . GLU 61 61 11179 1 . LEU 62 62 11179 1 . SER 63 63 11179 1 . GLY 64 64 11179 1 . PRO 65 65 11179 1 . SER 66 66 11179 1 . SER 67 67 11179 1 . GLY 68 68 11179 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 11179 _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 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11179 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 11179 _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 . . P030128-04 . . . . . . 11179 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11179 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.61mM 13C, 15N-labeled {protein;} 20mM {PiNa;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; _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 0.61 . . mM . . . . 11179 1 2 PiNa 'natural abundance' . . . . . buffer 20 . . mM . . . . 11179 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11179 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11179 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11179 1 6 H2O . . . . . . solvent 90 . . % . . . . 11179 1 7 D2O . . . . . . solvent 10 . . % . . . . 11179 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 11179 _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 11179 1 pH 6.0 0.05 pH 11179 1 pressure 1 0.001 atm 11179 1 temperature 298 0.1 K 11179 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11179 _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 . . 11179 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11179 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11179 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11179 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11179 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11179 _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.' . . 11179 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11179 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11179 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8992 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11179 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11179 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11179 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11179 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11179 5 'structure solution' 11179 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 11179 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11179 _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 . . . 11179 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 11179 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11179 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11179 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 11179 _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 . . . . . . . . . 11179 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11179 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11179 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 11179 _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 13C-separated NOESY' 1 $sample_1 isotropic 11179 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11179 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 . . 11179 1 2 $NMRPipe . . 11179 1 3 $NMRView . . 11179 1 4 $Kujira . . 11179 1 5 $CYANA . . 11179 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 2 2 SER HA H 1 4.562 0.030 . 1 . . . . 2 SER HA . 11179 1 2 . 1 1 2 2 SER HB2 H 1 3.912 0.030 . 1 . . . . 2 SER HB2 . 11179 1 3 . 1 1 2 2 SER HB3 H 1 3.912 0.030 . 1 . . . . 2 SER HB3 . 11179 1 4 . 1 1 2 2 SER C C 13 174.759 0.300 . 1 . . . . 2 SER C . 11179 1 5 . 1 1 2 2 SER CA C 13 58.335 0.300 . 1 . . . . 2 SER CA . 11179 1 6 . 1 1 2 2 SER CB C 13 64.000 0.300 . 1 . . . . 2 SER CB . 11179 1 7 . 1 1 3 3 SER H H 1 8.580 0.030 . 1 . . . . 3 SER H . 11179 1 8 . 1 1 3 3 SER HA H 1 4.500 0.030 . 1 . . . . 3 SER HA . 11179 1 9 . 1 1 3 3 SER HB2 H 1 3.862 0.030 . 1 . . . . 3 SER HB2 . 11179 1 10 . 1 1 3 3 SER HB3 H 1 3.862 0.030 . 1 . . . . 3 SER HB3 . 11179 1 11 . 1 1 3 3 SER C C 13 175.013 0.300 . 1 . . . . 3 SER C . 11179 1 12 . 1 1 3 3 SER CA C 13 58.652 0.300 . 1 . . . . 3 SER CA . 11179 1 13 . 1 1 3 3 SER CB C 13 63.858 0.300 . 1 . . . . 3 SER CB . 11179 1 14 . 1 1 3 3 SER N N 15 118.118 0.300 . 1 . . . . 3 SER N . 11179 1 15 . 1 1 4 4 GLY H H 1 8.463 0.030 . 1 . . . . 4 GLY H . 11179 1 16 . 1 1 4 4 GLY HA2 H 1 3.994 0.030 . 1 . . . . 4 GLY HA2 . 11179 1 17 . 1 1 4 4 GLY HA3 H 1 3.994 0.030 . 1 . . . . 4 GLY HA3 . 11179 1 18 . 1 1 4 4 GLY C C 13 174.183 0.300 . 1 . . . . 4 GLY C . 11179 1 19 . 1 1 4 4 GLY CA C 13 45.382 0.300 . 1 . . . . 4 GLY CA . 11179 1 20 . 1 1 4 4 GLY N N 15 110.961 0.300 . 1 . . . . 4 GLY N . 11179 1 21 . 1 1 5 5 SER H H 1 8.256 0.030 . 1 . . . . 5 SER H . 11179 1 22 . 1 1 5 5 SER HA H 1 4.499 0.030 . 1 . . . . 5 SER HA . 11179 1 23 . 1 1 5 5 SER HB2 H 1 3.815 0.030 . 1 . . . . 5 SER HB2 . 11179 1 24 . 1 1 5 5 SER HB3 H 1 3.815 0.030 . 1 . . . . 5 SER HB3 . 11179 1 25 . 1 1 5 5 SER C C 13 174.690 0.300 . 1 . . . . 5 SER C . 11179 1 26 . 1 1 5 5 SER CA C 13 58.311 0.300 . 1 . . . . 5 SER CA . 11179 1 27 . 1 1 5 5 SER CB C 13 64.015 0.300 . 1 . . . . 5 SER CB . 11179 1 28 . 1 1 5 5 SER N N 15 115.725 0.300 . 1 . . . . 5 SER N . 11179 1 29 . 1 1 6 6 SER H H 1 8.438 0.030 . 1 . . . . 6 SER H . 11179 1 30 . 1 1 6 6 SER HA H 1 4.463 0.030 . 1 . . . . 6 SER HA . 11179 1 31 . 1 1 6 6 SER HB2 H 1 3.886 0.030 . 1 . . . . 6 SER HB2 . 11179 1 32 . 1 1 6 6 SER HB3 H 1 3.886 0.030 . 1 . . . . 6 SER HB3 . 11179 1 33 . 1 1 6 6 SER C C 13 174.947 0.300 . 1 . . . . 6 SER C . 11179 1 34 . 1 1 6 6 SER CA C 13 58.690 0.300 . 1 . . . . 6 SER CA . 11179 1 35 . 1 1 6 6 SER CB C 13 64.003 0.300 . 1 . . . . 6 SER CB . 11179 1 36 . 1 1 6 6 SER N N 15 117.923 0.300 . 1 . . . . 6 SER N . 11179 1 37 . 1 1 7 7 GLY H H 1 8.558 0.030 . 1 . . . . 7 GLY H . 11179 1 38 . 1 1 7 7 GLY HA2 H 1 4.005 0.030 . 1 . . . . 7 GLY HA2 . 11179 1 39 . 1 1 7 7 GLY HA3 H 1 4.005 0.030 . 1 . . . . 7 GLY HA3 . 11179 1 40 . 1 1 7 7 GLY C C 13 173.570 0.300 . 1 . . . . 7 GLY C . 11179 1 41 . 1 1 7 7 GLY CA C 13 45.323 0.300 . 1 . . . . 7 GLY CA . 11179 1 42 . 1 1 7 7 GLY N N 15 111.051 0.300 . 1 . . . . 7 GLY N . 11179 1 43 . 1 1 8 8 ARG H H 1 8.244 0.030 . 1 . . . . 8 ARG H . 11179 1 44 . 1 1 8 8 ARG HA H 1 4.511 0.030 . 1 . . . . 8 ARG HA . 11179 1 45 . 1 1 8 8 ARG HB2 H 1 1.765 0.030 . 2 . . . . 8 ARG HB2 . 11179 1 46 . 1 1 8 8 ARG HB3 H 1 1.835 0.030 . 2 . . . . 8 ARG HB3 . 11179 1 47 . 1 1 8 8 ARG HD2 H 1 2.980 0.030 . 2 . . . . 8 ARG HD2 . 11179 1 48 . 1 1 8 8 ARG HD3 H 1 3.090 0.030 . 2 . . . . 8 ARG HD3 . 11179 1 49 . 1 1 8 8 ARG HE H 1 7.750 0.030 . 1 . . . . 8 ARG HE . 11179 1 50 . 1 1 8 8 ARG HG2 H 1 1.614 0.030 . 2 . . . . 8 ARG HG2 . 11179 1 51 . 1 1 8 8 ARG HG3 H 1 1.523 0.030 . 2 . . . . 8 ARG HG3 . 11179 1 52 . 1 1 8 8 ARG C C 13 175.279 0.300 . 1 . . . . 8 ARG C . 11179 1 53 . 1 1 8 8 ARG CA C 13 55.913 0.300 . 1 . . . . 8 ARG CA . 11179 1 54 . 1 1 8 8 ARG CB C 13 31.753 0.300 . 1 . . . . 8 ARG CB . 11179 1 55 . 1 1 8 8 ARG CD C 13 43.715 0.300 . 1 . . . . 8 ARG CD . 11179 1 56 . 1 1 8 8 ARG CG C 13 27.195 0.300 . 1 . . . . 8 ARG CG . 11179 1 57 . 1 1 8 8 ARG N N 15 121.174 0.300 . 1 . . . . 8 ARG N . 11179 1 58 . 1 1 8 8 ARG NE N 15 84.524 0.300 . 1 . . . . 8 ARG NE . 11179 1 59 . 1 1 9 9 ARG H H 1 8.749 0.030 . 1 . . . . 9 ARG H . 11179 1 60 . 1 1 9 9 ARG HA H 1 5.389 0.030 . 1 . . . . 9 ARG HA . 11179 1 61 . 1 1 9 9 ARG HB2 H 1 1.763 0.030 . 2 . . . . 9 ARG HB2 . 11179 1 62 . 1 1 9 9 ARG HB3 H 1 1.685 0.030 . 2 . . . . 9 ARG HB3 . 11179 1 63 . 1 1 9 9 ARG HD2 H 1 3.150 0.030 . 1 . . . . 9 ARG HD2 . 11179 1 64 . 1 1 9 9 ARG HD3 H 1 3.150 0.030 . 1 . . . . 9 ARG HD3 . 11179 1 65 . 1 1 9 9 ARG HE H 1 7.369 0.030 . 1 . . . . 9 ARG HE . 11179 1 66 . 1 1 9 9 ARG HG2 H 1 1.689 0.030 . 2 . . . . 9 ARG HG2 . 11179 1 67 . 1 1 9 9 ARG HG3 H 1 1.544 0.030 . 2 . . . . 9 ARG HG3 . 11179 1 68 . 1 1 9 9 ARG C C 13 175.791 0.300 . 1 . . . . 9 ARG C . 11179 1 69 . 1 1 9 9 ARG CA C 13 55.215 0.300 . 1 . . . . 9 ARG CA . 11179 1 70 . 1 1 9 9 ARG CB C 13 33.475 0.300 . 1 . . . . 9 ARG CB . 11179 1 71 . 1 1 9 9 ARG CD C 13 43.706 0.300 . 1 . . . . 9 ARG CD . 11179 1 72 . 1 1 9 9 ARG CG C 13 28.012 0.300 . 1 . . . . 9 ARG CG . 11179 1 73 . 1 1 9 9 ARG N N 15 123.402 0.300 . 1 . . . . 9 ARG N . 11179 1 74 . 1 1 9 9 ARG NE N 15 84.605 0.300 . 1 . . . . 9 ARG NE . 11179 1 75 . 1 1 10 10 CYS H H 1 9.050 0.030 . 1 . . . . 10 CYS H . 11179 1 76 . 1 1 10 10 CYS HA H 1 5.081 0.030 . 1 . . . . 10 CYS HA . 11179 1 77 . 1 1 10 10 CYS HB2 H 1 2.700 0.030 . 2 . . . . 10 CYS HB2 . 11179 1 78 . 1 1 10 10 CYS HB3 H 1 3.036 0.030 . 2 . . . . 10 CYS HB3 . 11179 1 79 . 1 1 10 10 CYS C C 13 170.916 0.300 . 1 . . . . 10 CYS C . 11179 1 80 . 1 1 10 10 CYS CA C 13 56.815 0.300 . 1 . . . . 10 CYS CA . 11179 1 81 . 1 1 10 10 CYS CB C 13 32.775 0.300 . 1 . . . . 10 CYS CB . 11179 1 82 . 1 1 10 10 CYS N N 15 117.665 0.300 . 1 . . . . 10 CYS N . 11179 1 83 . 1 1 11 11 GLN H H 1 9.029 0.030 . 1 . . . . 11 GLN H . 11179 1 84 . 1 1 11 11 GLN HA H 1 5.457 0.030 . 1 . . . . 11 GLN HA . 11179 1 85 . 1 1 11 11 GLN HB2 H 1 1.765 0.030 . 2 . . . . 11 GLN HB2 . 11179 1 86 . 1 1 11 11 GLN HB3 H 1 1.870 0.030 . 2 . . . . 11 GLN HB3 . 11179 1 87 . 1 1 11 11 GLN HE21 H 1 7.556 0.030 . 2 . . . . 11 GLN HE21 . 11179 1 88 . 1 1 11 11 GLN HE22 H 1 6.890 0.030 . 2 . . . . 11 GLN HE22 . 11179 1 89 . 1 1 11 11 GLN HG2 H 1 2.068 0.030 . 1 . . . . 11 GLN HG2 . 11179 1 90 . 1 1 11 11 GLN HG3 H 1 2.068 0.030 . 1 . . . . 11 GLN HG3 . 11179 1 91 . 1 1 11 11 GLN C C 13 175.478 0.300 . 1 . . . . 11 GLN C . 11179 1 92 . 1 1 11 11 GLN CA C 13 53.498 0.300 . 1 . . . . 11 GLN CA . 11179 1 93 . 1 1 11 11 GLN CB C 13 32.700 0.300 . 1 . . . . 11 GLN CB . 11179 1 94 . 1 1 11 11 GLN CG C 13 33.756 0.300 . 1 . . . . 11 GLN CG . 11179 1 95 . 1 1 11 11 GLN N N 15 120.860 0.300 . 1 . . . . 11 GLN N . 11179 1 96 . 1 1 11 11 GLN NE2 N 15 111.915 0.300 . 1 . . . . 11 GLN NE2 . 11179 1 97 . 1 1 12 12 VAL H H 1 9.180 0.030 . 1 . . . . 12 VAL H . 11179 1 98 . 1 1 12 12 VAL HA H 1 3.822 0.030 . 1 . . . . 12 VAL HA . 11179 1 99 . 1 1 12 12 VAL HB H 1 2.229 0.030 . 1 . . . . 12 VAL HB . 11179 1 100 . 1 1 12 12 VAL HG11 H 1 0.790 0.030 . 1 . . . . 12 VAL HG1 . 11179 1 101 . 1 1 12 12 VAL HG12 H 1 0.790 0.030 . 1 . . . . 12 VAL HG1 . 11179 1 102 . 1 1 12 12 VAL HG13 H 1 0.790 0.030 . 1 . . . . 12 VAL HG1 . 11179 1 103 . 1 1 12 12 VAL HG21 H 1 0.940 0.030 . 1 . . . . 12 VAL HG2 . 11179 1 104 . 1 1 12 12 VAL HG22 H 1 0.940 0.030 . 1 . . . . 12 VAL HG2 . 11179 1 105 . 1 1 12 12 VAL HG23 H 1 0.940 0.030 . 1 . . . . 12 VAL HG2 . 11179 1 106 . 1 1 12 12 VAL C C 13 176.202 0.300 . 1 . . . . 12 VAL C . 11179 1 107 . 1 1 12 12 VAL CA C 13 64.787 0.300 . 1 . . . . 12 VAL CA . 11179 1 108 . 1 1 12 12 VAL CB C 13 32.180 0.300 . 1 . . . . 12 VAL CB . 11179 1 109 . 1 1 12 12 VAL CG1 C 13 24.777 0.300 . 2 . . . . 12 VAL CG1 . 11179 1 110 . 1 1 12 12 VAL CG2 C 13 23.923 0.300 . 2 . . . . 12 VAL CG2 . 11179 1 111 . 1 1 12 12 VAL N N 15 125.786 0.300 . 1 . . . . 12 VAL N . 11179 1 112 . 1 1 13 13 ALA H H 1 9.159 0.030 . 1 . . . . 13 ALA H . 11179 1 113 . 1 1 13 13 ALA HA H 1 4.249 0.030 . 1 . . . . 13 ALA HA . 11179 1 114 . 1 1 13 13 ALA HB1 H 1 0.915 0.030 . 1 . . . . 13 ALA HB . 11179 1 115 . 1 1 13 13 ALA HB2 H 1 0.915 0.030 . 1 . . . . 13 ALA HB . 11179 1 116 . 1 1 13 13 ALA HB3 H 1 0.915 0.030 . 1 . . . . 13 ALA HB . 11179 1 117 . 1 1 13 13 ALA C C 13 174.955 0.300 . 1 . . . . 13 ALA C . 11179 1 118 . 1 1 13 13 ALA CA C 13 52.508 0.300 . 1 . . . . 13 ALA CA . 11179 1 119 . 1 1 13 13 ALA CB C 13 21.035 0.300 . 1 . . . . 13 ALA CB . 11179 1 120 . 1 1 13 13 ALA N N 15 133.248 0.300 . 1 . . . . 13 ALA N . 11179 1 121 . 1 1 14 14 PHE H H 1 7.434 0.030 . 1 . . . . 14 PHE H . 11179 1 122 . 1 1 14 14 PHE HA H 1 4.610 0.030 . 1 . . . . 14 PHE HA . 11179 1 123 . 1 1 14 14 PHE HB2 H 1 2.342 0.030 . 2 . . . . 14 PHE HB2 . 11179 1 124 . 1 1 14 14 PHE HB3 H 1 2.968 0.030 . 2 . . . . 14 PHE HB3 . 11179 1 125 . 1 1 14 14 PHE HD1 H 1 6.988 0.030 . 1 . . . . 14 PHE HD1 . 11179 1 126 . 1 1 14 14 PHE HD2 H 1 6.988 0.030 . 1 . . . . 14 PHE HD2 . 11179 1 127 . 1 1 14 14 PHE HE1 H 1 7.206 0.030 . 1 . . . . 14 PHE HE1 . 11179 1 128 . 1 1 14 14 PHE HE2 H 1 7.206 0.030 . 1 . . . . 14 PHE HE2 . 11179 1 129 . 1 1 14 14 PHE HZ H 1 7.192 0.030 . 1 . . . . 14 PHE HZ . 11179 1 130 . 1 1 14 14 PHE C C 13 172.392 0.300 . 1 . . . . 14 PHE C . 11179 1 131 . 1 1 14 14 PHE CA C 13 56.072 0.300 . 1 . . . . 14 PHE CA . 11179 1 132 . 1 1 14 14 PHE CB C 13 42.800 0.300 . 1 . . . . 14 PHE CB . 11179 1 133 . 1 1 14 14 PHE CD1 C 13 132.150 0.300 . 1 . . . . 14 PHE CD1 . 11179 1 134 . 1 1 14 14 PHE CD2 C 13 132.150 0.300 . 1 . . . . 14 PHE CD2 . 11179 1 135 . 1 1 14 14 PHE CE1 C 13 130.922 0.300 . 1 . . . . 14 PHE CE1 . 11179 1 136 . 1 1 14 14 PHE CE2 C 13 130.922 0.300 . 1 . . . . 14 PHE CE2 . 11179 1 137 . 1 1 14 14 PHE CZ C 13 129.497 0.300 . 1 . . . . 14 PHE CZ . 11179 1 138 . 1 1 14 14 PHE N N 15 116.790 0.300 . 1 . . . . 14 PHE N . 11179 1 139 . 1 1 15 15 SER H H 1 8.298 0.030 . 1 . . . . 15 SER H . 11179 1 140 . 1 1 15 15 SER HA H 1 4.144 0.030 . 1 . . . . 15 SER HA . 11179 1 141 . 1 1 15 15 SER HB2 H 1 3.987 0.030 . 1 . . . . 15 SER HB2 . 11179 1 142 . 1 1 15 15 SER HB3 H 1 3.987 0.030 . 1 . . . . 15 SER HB3 . 11179 1 143 . 1 1 15 15 SER C C 13 173.520 0.300 . 1 . . . . 15 SER C . 11179 1 144 . 1 1 15 15 SER CA C 13 58.611 0.300 . 1 . . . . 15 SER CA . 11179 1 145 . 1 1 15 15 SER CB C 13 64.278 0.300 . 1 . . . . 15 SER CB . 11179 1 146 . 1 1 15 15 SER N N 15 114.871 0.300 . 1 . . . . 15 SER N . 11179 1 147 . 1 1 16 16 TYR H H 1 8.662 0.030 . 1 . . . . 16 TYR H . 11179 1 148 . 1 1 16 16 TYR HA H 1 4.727 0.030 . 1 . . . . 16 TYR HA . 11179 1 149 . 1 1 16 16 TYR HB2 H 1 2.927 0.030 . 2 . . . . 16 TYR HB2 . 11179 1 150 . 1 1 16 16 TYR HB3 H 1 2.560 0.030 . 2 . . . . 16 TYR HB3 . 11179 1 151 . 1 1 16 16 TYR HD1 H 1 7.113 0.030 . 1 . . . . 16 TYR HD1 . 11179 1 152 . 1 1 16 16 TYR HD2 H 1 7.113 0.030 . 1 . . . . 16 TYR HD2 . 11179 1 153 . 1 1 16 16 TYR HE1 H 1 6.947 0.030 . 1 . . . . 16 TYR HE1 . 11179 1 154 . 1 1 16 16 TYR HE2 H 1 6.947 0.030 . 1 . . . . 16 TYR HE2 . 11179 1 155 . 1 1 16 16 TYR C C 13 173.180 0.300 . 1 . . . . 16 TYR C . 11179 1 156 . 1 1 16 16 TYR CA C 13 58.620 0.300 . 1 . . . . 16 TYR CA . 11179 1 157 . 1 1 16 16 TYR CB C 13 42.676 0.300 . 1 . . . . 16 TYR CB . 11179 1 158 . 1 1 16 16 TYR CD1 C 13 132.919 0.300 . 1 . . . . 16 TYR CD1 . 11179 1 159 . 1 1 16 16 TYR CD2 C 13 132.919 0.300 . 1 . . . . 16 TYR CD2 . 11179 1 160 . 1 1 16 16 TYR CE1 C 13 117.812 0.300 . 1 . . . . 16 TYR CE1 . 11179 1 161 . 1 1 16 16 TYR CE2 C 13 117.812 0.300 . 1 . . . . 16 TYR CE2 . 11179 1 162 . 1 1 16 16 TYR N N 15 121.374 0.300 . 1 . . . . 16 TYR N . 11179 1 163 . 1 1 17 17 LEU H H 1 7.552 0.030 . 1 . . . . 17 LEU H . 11179 1 164 . 1 1 17 17 LEU HA H 1 4.729 0.030 . 1 . . . . 17 LEU HA . 11179 1 165 . 1 1 17 17 LEU HB2 H 1 1.393 0.030 . 2 . . . . 17 LEU HB2 . 11179 1 166 . 1 1 17 17 LEU HB3 H 1 1.341 0.030 . 2 . . . . 17 LEU HB3 . 11179 1 167 . 1 1 17 17 LEU HD11 H 1 0.834 0.030 . 1 . . . . 17 LEU HD1 . 11179 1 168 . 1 1 17 17 LEU HD12 H 1 0.834 0.030 . 1 . . . . 17 LEU HD1 . 11179 1 169 . 1 1 17 17 LEU HD13 H 1 0.834 0.030 . 1 . . . . 17 LEU HD1 . 11179 1 170 . 1 1 17 17 LEU HD21 H 1 0.860 0.030 . 1 . . . . 17 LEU HD2 . 11179 1 171 . 1 1 17 17 LEU HD22 H 1 0.860 0.030 . 1 . . . . 17 LEU HD2 . 11179 1 172 . 1 1 17 17 LEU HD23 H 1 0.860 0.030 . 1 . . . . 17 LEU HD2 . 11179 1 173 . 1 1 17 17 LEU HG H 1 1.533 0.030 . 1 . . . . 17 LEU HG . 11179 1 174 . 1 1 17 17 LEU C C 13 173.519 0.300 . 1 . . . . 17 LEU C . 11179 1 175 . 1 1 17 17 LEU CA C 13 50.574 0.300 . 1 . . . . 17 LEU CA . 11179 1 176 . 1 1 17 17 LEU CB C 13 41.758 0.300 . 1 . . . . 17 LEU CB . 11179 1 177 . 1 1 17 17 LEU CD1 C 13 23.910 0.300 . 2 . . . . 17 LEU CD1 . 11179 1 178 . 1 1 17 17 LEU CD2 C 13 25.060 0.300 . 2 . . . . 17 LEU CD2 . 11179 1 179 . 1 1 17 17 LEU CG C 13 26.708 0.300 . 1 . . . . 17 LEU CG . 11179 1 180 . 1 1 17 17 LEU N N 15 129.501 0.300 . 1 . . . . 17 LEU N . 11179 1 181 . 1 1 18 18 PRO HA H 1 4.442 0.030 . 1 . . . . 18 PRO HA . 11179 1 182 . 1 1 18 18 PRO HB2 H 1 2.052 0.030 . 2 . . . . 18 PRO HB2 . 11179 1 183 . 1 1 18 18 PRO HB3 H 1 2.257 0.030 . 2 . . . . 18 PRO HB3 . 11179 1 184 . 1 1 18 18 PRO HD2 H 1 3.675 0.030 . 1 . . . . 18 PRO HD2 . 11179 1 185 . 1 1 18 18 PRO HD3 H 1 3.675 0.030 . 1 . . . . 18 PRO HD3 . 11179 1 186 . 1 1 18 18 PRO HG2 H 1 2.038 0.030 . 2 . . . . 18 PRO HG2 . 11179 1 187 . 1 1 18 18 PRO HG3 H 1 1.968 0.030 . 2 . . . . 18 PRO HG3 . 11179 1 188 . 1 1 18 18 PRO C C 13 178.072 0.300 . 1 . . . . 18 PRO C . 11179 1 189 . 1 1 18 18 PRO CA C 13 62.630 0.300 . 1 . . . . 18 PRO CA . 11179 1 190 . 1 1 18 18 PRO CB C 13 33.799 0.300 . 1 . . . . 18 PRO CB . 11179 1 191 . 1 1 18 18 PRO CD C 13 50.507 0.300 . 1 . . . . 18 PRO CD . 11179 1 192 . 1 1 18 18 PRO CG C 13 27.518 0.300 . 1 . . . . 18 PRO CG . 11179 1 193 . 1 1 19 19 GLN H H 1 9.137 0.030 . 1 . . . . 19 GLN H . 11179 1 194 . 1 1 19 19 GLN HA H 1 4.253 0.030 . 1 . . . . 19 GLN HA . 11179 1 195 . 1 1 19 19 GLN HB2 H 1 2.076 0.030 . 2 . . . . 19 GLN HB2 . 11179 1 196 . 1 1 19 19 GLN HB3 H 1 2.270 0.030 . 2 . . . . 19 GLN HB3 . 11179 1 197 . 1 1 19 19 GLN HE21 H 1 6.824 0.030 . 2 . . . . 19 GLN HE21 . 11179 1 198 . 1 1 19 19 GLN HE22 H 1 7.656 0.030 . 2 . . . . 19 GLN HE22 . 11179 1 199 . 1 1 19 19 GLN HG2 H 1 2.405 0.030 . 2 . . . . 19 GLN HG2 . 11179 1 200 . 1 1 19 19 GLN HG3 H 1 2.587 0.030 . 2 . . . . 19 GLN HG3 . 11179 1 201 . 1 1 19 19 GLN C C 13 175.420 0.300 . 1 . . . . 19 GLN C . 11179 1 202 . 1 1 19 19 GLN CA C 13 55.383 0.300 . 1 . . . . 19 GLN CA . 11179 1 203 . 1 1 19 19 GLN CB C 13 30.356 0.300 . 1 . . . . 19 GLN CB . 11179 1 204 . 1 1 19 19 GLN CG C 13 34.410 0.300 . 1 . . . . 19 GLN CG . 11179 1 205 . 1 1 19 19 GLN N N 15 119.788 0.300 . 1 . . . . 19 GLN N . 11179 1 206 . 1 1 19 19 GLN NE2 N 15 113.889 0.300 . 1 . . . . 19 GLN NE2 . 11179 1 207 . 1 1 20 20 ASN H H 1 7.452 0.030 . 1 . . . . 20 ASN H . 11179 1 208 . 1 1 20 20 ASN HA H 1 4.731 0.030 . 1 . . . . 20 ASN HA . 11179 1 209 . 1 1 20 20 ASN HB2 H 1 2.769 0.030 . 2 . . . . 20 ASN HB2 . 11179 1 210 . 1 1 20 20 ASN HB3 H 1 2.897 0.030 . 2 . . . . 20 ASN HB3 . 11179 1 211 . 1 1 20 20 ASN HD21 H 1 7.490 0.030 . 2 . . . . 20 ASN HD21 . 11179 1 212 . 1 1 20 20 ASN HD22 H 1 6.647 0.030 . 2 . . . . 20 ASN HD22 . 11179 1 213 . 1 1 20 20 ASN C C 13 175.536 0.300 . 1 . . . . 20 ASN C . 11179 1 214 . 1 1 20 20 ASN CA C 13 52.254 0.300 . 1 . . . . 20 ASN CA . 11179 1 215 . 1 1 20 20 ASN CB C 13 41.329 0.300 . 1 . . . . 20 ASN CB . 11179 1 216 . 1 1 20 20 ASN N N 15 113.077 0.300 . 1 . . . . 20 ASN N . 11179 1 217 . 1 1 20 20 ASN ND2 N 15 114.920 0.300 . 1 . . . . 20 ASN ND2 . 11179 1 218 . 1 1 21 21 ASP H H 1 8.613 0.030 . 1 . . . . 21 ASP H . 11179 1 219 . 1 1 21 21 ASP HA H 1 4.567 0.030 . 1 . . . . 21 ASP HA . 11179 1 220 . 1 1 21 21 ASP HB2 H 1 2.655 0.030 . 2 . . . . 21 ASP HB2 . 11179 1 221 . 1 1 21 21 ASP HB3 H 1 2.790 0.030 . 2 . . . . 21 ASP HB3 . 11179 1 222 . 1 1 21 21 ASP C C 13 176.166 0.300 . 1 . . . . 21 ASP C . 11179 1 223 . 1 1 21 21 ASP CA C 13 56.542 0.300 . 1 . . . . 21 ASP CA . 11179 1 224 . 1 1 21 21 ASP CB C 13 40.862 0.300 . 1 . . . . 21 ASP CB . 11179 1 225 . 1 1 21 21 ASP N N 15 118.043 0.300 . 1 . . . . 21 ASP N . 11179 1 226 . 1 1 22 22 ASP H H 1 8.556 0.030 . 1 . . . . 22 ASP H . 11179 1 227 . 1 1 22 22 ASP HA H 1 4.802 0.030 . 1 . . . . 22 ASP HA . 11179 1 228 . 1 1 22 22 ASP HB2 H 1 2.770 0.030 . 2 . . . . 22 ASP HB2 . 11179 1 229 . 1 1 22 22 ASP HB3 H 1 2.844 0.030 . 2 . . . . 22 ASP HB3 . 11179 1 230 . 1 1 22 22 ASP C C 13 175.884 0.300 . 1 . . . . 22 ASP C . 11179 1 231 . 1 1 22 22 ASP CA C 13 54.379 0.300 . 1 . . . . 22 ASP CA . 11179 1 232 . 1 1 22 22 ASP CB C 13 40.561 0.300 . 1 . . . . 22 ASP CB . 11179 1 233 . 1 1 22 22 ASP N N 15 117.406 0.300 . 1 . . . . 22 ASP N . 11179 1 234 . 1 1 23 23 GLU H H 1 7.451 0.030 . 1 . . . . 23 GLU H . 11179 1 235 . 1 1 23 23 GLU HA H 1 5.234 0.030 . 1 . . . . 23 GLU HA . 11179 1 236 . 1 1 23 23 GLU HB2 H 1 2.258 0.030 . 2 . . . . 23 GLU HB2 . 11179 1 237 . 1 1 23 23 GLU HB3 H 1 2.524 0.030 . 2 . . . . 23 GLU HB3 . 11179 1 238 . 1 1 23 23 GLU HG2 H 1 2.191 0.030 . 2 . . . . 23 GLU HG2 . 11179 1 239 . 1 1 23 23 GLU HG3 H 1 2.495 0.030 . 2 . . . . 23 GLU HG3 . 11179 1 240 . 1 1 23 23 GLU C C 13 176.175 0.300 . 1 . . . . 23 GLU C . 11179 1 241 . 1 1 23 23 GLU CA C 13 54.792 0.300 . 1 . . . . 23 GLU CA . 11179 1 242 . 1 1 23 23 GLU CB C 13 33.001 0.300 . 1 . . . . 23 GLU CB . 11179 1 243 . 1 1 23 23 GLU CG C 13 36.504 0.300 . 1 . . . . 23 GLU CG . 11179 1 244 . 1 1 23 23 GLU N N 15 119.140 0.300 . 1 . . . . 23 GLU N . 11179 1 245 . 1 1 24 24 LEU H H 1 8.487 0.030 . 1 . . . . 24 LEU H . 11179 1 246 . 1 1 24 24 LEU HA H 1 4.423 0.030 . 1 . . . . 24 LEU HA . 11179 1 247 . 1 1 24 24 LEU HB2 H 1 1.495 0.030 . 2 . . . . 24 LEU HB2 . 11179 1 248 . 1 1 24 24 LEU HB3 H 1 1.329 0.030 . 2 . . . . 24 LEU HB3 . 11179 1 249 . 1 1 24 24 LEU HD11 H 1 0.752 0.030 . 1 . . . . 24 LEU HD1 . 11179 1 250 . 1 1 24 24 LEU HD12 H 1 0.752 0.030 . 1 . . . . 24 LEU HD1 . 11179 1 251 . 1 1 24 24 LEU HD13 H 1 0.752 0.030 . 1 . . . . 24 LEU HD1 . 11179 1 252 . 1 1 24 24 LEU HD21 H 1 0.799 0.030 . 1 . . . . 24 LEU HD2 . 11179 1 253 . 1 1 24 24 LEU HD22 H 1 0.799 0.030 . 1 . . . . 24 LEU HD2 . 11179 1 254 . 1 1 24 24 LEU HD23 H 1 0.799 0.030 . 1 . . . . 24 LEU HD2 . 11179 1 255 . 1 1 24 24 LEU HG H 1 1.480 0.030 . 1 . . . . 24 LEU HG . 11179 1 256 . 1 1 24 24 LEU C C 13 175.195 0.300 . 1 . . . . 24 LEU C . 11179 1 257 . 1 1 24 24 LEU CA C 13 53.833 0.300 . 1 . . . . 24 LEU CA . 11179 1 258 . 1 1 24 24 LEU CB C 13 44.928 0.300 . 1 . . . . 24 LEU CB . 11179 1 259 . 1 1 24 24 LEU CD1 C 13 25.641 0.300 . 2 . . . . 24 LEU CD1 . 11179 1 260 . 1 1 24 24 LEU CD2 C 13 22.369 0.300 . 2 . . . . 24 LEU CD2 . 11179 1 261 . 1 1 24 24 LEU CG C 13 27.046 0.300 . 1 . . . . 24 LEU CG . 11179 1 262 . 1 1 24 24 LEU N N 15 120.705 0.300 . 1 . . . . 24 LEU N . 11179 1 263 . 1 1 25 25 GLU H H 1 7.934 0.030 . 1 . . . . 25 GLU H . 11179 1 264 . 1 1 25 25 GLU HA H 1 4.611 0.030 . 1 . . . . 25 GLU HA . 11179 1 265 . 1 1 25 25 GLU HB2 H 1 1.845 0.030 . 2 . . . . 25 GLU HB2 . 11179 1 266 . 1 1 25 25 GLU HB3 H 1 1.987 0.030 . 2 . . . . 25 GLU HB3 . 11179 1 267 . 1 1 25 25 GLU HG2 H 1 1.963 0.030 . 2 . . . . 25 GLU HG2 . 11179 1 268 . 1 1 25 25 GLU HG3 H 1 2.542 0.030 . 2 . . . . 25 GLU HG3 . 11179 1 269 . 1 1 25 25 GLU C C 13 175.968 0.300 . 1 . . . . 25 GLU C . 11179 1 270 . 1 1 25 25 GLU CA C 13 55.615 0.300 . 1 . . . . 25 GLU CA . 11179 1 271 . 1 1 25 25 GLU CB C 13 30.027 0.300 . 1 . . . . 25 GLU CB . 11179 1 272 . 1 1 25 25 GLU CG C 13 36.397 0.300 . 1 . . . . 25 GLU CG . 11179 1 273 . 1 1 25 25 GLU N N 15 118.591 0.300 . 1 . . . . 25 GLU N . 11179 1 274 . 1 1 26 26 LEU H H 1 8.913 0.030 . 1 . . . . 26 LEU H . 11179 1 275 . 1 1 26 26 LEU HA H 1 4.722 0.030 . 1 . . . . 26 LEU HA . 11179 1 276 . 1 1 26 26 LEU HB2 H 1 2.071 0.030 . 2 . . . . 26 LEU HB2 . 11179 1 277 . 1 1 26 26 LEU HB3 H 1 1.689 0.030 . 2 . . . . 26 LEU HB3 . 11179 1 278 . 1 1 26 26 LEU HD11 H 1 0.519 0.030 . 1 . . . . 26 LEU HD1 . 11179 1 279 . 1 1 26 26 LEU HD12 H 1 0.519 0.030 . 1 . . . . 26 LEU HD1 . 11179 1 280 . 1 1 26 26 LEU HD13 H 1 0.519 0.030 . 1 . . . . 26 LEU HD1 . 11179 1 281 . 1 1 26 26 LEU HD21 H 1 0.833 0.030 . 1 . . . . 26 LEU HD2 . 11179 1 282 . 1 1 26 26 LEU HD22 H 1 0.833 0.030 . 1 . . . . 26 LEU HD2 . 11179 1 283 . 1 1 26 26 LEU HD23 H 1 0.833 0.030 . 1 . . . . 26 LEU HD2 . 11179 1 284 . 1 1 26 26 LEU HG H 1 1.914 0.030 . 1 . . . . 26 LEU HG . 11179 1 285 . 1 1 26 26 LEU C C 13 176.440 0.300 . 1 . . . . 26 LEU C . 11179 1 286 . 1 1 26 26 LEU CA C 13 53.518 0.300 . 1 . . . . 26 LEU CA . 11179 1 287 . 1 1 26 26 LEU CB C 13 43.131 0.300 . 1 . . . . 26 LEU CB . 11179 1 288 . 1 1 26 26 LEU CD1 C 13 23.518 0.300 . 2 . . . . 26 LEU CD1 . 11179 1 289 . 1 1 26 26 LEU CD2 C 13 25.187 0.300 . 2 . . . . 26 LEU CD2 . 11179 1 290 . 1 1 26 26 LEU CG C 13 26.824 0.300 . 1 . . . . 26 LEU CG . 11179 1 291 . 1 1 26 26 LEU N N 15 126.325 0.300 . 1 . . . . 26 LEU N . 11179 1 292 . 1 1 27 27 LYS H H 1 9.119 0.030 . 1 . . . . 27 LYS H . 11179 1 293 . 1 1 27 27 LYS HA H 1 4.622 0.030 . 1 . . . . 27 LYS HA . 11179 1 294 . 1 1 27 27 LYS HB2 H 1 1.676 0.030 . 2 . . . . 27 LYS HB2 . 11179 1 295 . 1 1 27 27 LYS HB3 H 1 1.826 0.030 . 2 . . . . 27 LYS HB3 . 11179 1 296 . 1 1 27 27 LYS HD2 H 1 1.670 0.030 . 1 . . . . 27 LYS HD2 . 11179 1 297 . 1 1 27 27 LYS HD3 H 1 1.670 0.030 . 1 . . . . 27 LYS HD3 . 11179 1 298 . 1 1 27 27 LYS HE2 H 1 2.964 0.030 . 1 . . . . 27 LYS HE2 . 11179 1 299 . 1 1 27 27 LYS HE3 H 1 2.964 0.030 . 1 . . . . 27 LYS HE3 . 11179 1 300 . 1 1 27 27 LYS HG2 H 1 1.377 0.030 . 1 . . . . 27 LYS HG2 . 11179 1 301 . 1 1 27 27 LYS HG3 H 1 1.377 0.030 . 1 . . . . 27 LYS HG3 . 11179 1 302 . 1 1 27 27 LYS C C 13 175.481 0.300 . 1 . . . . 27 LYS C . 11179 1 303 . 1 1 27 27 LYS CA C 13 54.428 0.300 . 1 . . . . 27 LYS CA . 11179 1 304 . 1 1 27 27 LYS CB C 13 33.730 0.300 . 1 . . . . 27 LYS CB . 11179 1 305 . 1 1 27 27 LYS CD C 13 29.143 0.300 . 1 . . . . 27 LYS CD . 11179 1 306 . 1 1 27 27 LYS CE C 13 42.115 0.300 . 1 . . . . 27 LYS CE . 11179 1 307 . 1 1 27 27 LYS CG C 13 24.776 0.300 . 1 . . . . 27 LYS CG . 11179 1 308 . 1 1 27 27 LYS N N 15 126.058 0.300 . 1 . . . . 27 LYS N . 11179 1 309 . 1 1 28 28 VAL H H 1 8.120 0.030 . 1 . . . . 28 VAL H . 11179 1 310 . 1 1 28 28 VAL HA H 1 2.949 0.030 . 1 . . . . 28 VAL HA . 11179 1 311 . 1 1 28 28 VAL HB H 1 1.779 0.030 . 1 . . . . 28 VAL HB . 11179 1 312 . 1 1 28 28 VAL HG11 H 1 0.789 0.030 . 1 . . . . 28 VAL HG1 . 11179 1 313 . 1 1 28 28 VAL HG12 H 1 0.789 0.030 . 1 . . . . 28 VAL HG1 . 11179 1 314 . 1 1 28 28 VAL HG13 H 1 0.789 0.030 . 1 . . . . 28 VAL HG1 . 11179 1 315 . 1 1 28 28 VAL HG21 H 1 0.866 0.030 . 1 . . . . 28 VAL HG2 . 11179 1 316 . 1 1 28 28 VAL HG22 H 1 0.866 0.030 . 1 . . . . 28 VAL HG2 . 11179 1 317 . 1 1 28 28 VAL HG23 H 1 0.866 0.030 . 1 . . . . 28 VAL HG2 . 11179 1 318 . 1 1 28 28 VAL C C 13 177.187 0.300 . 1 . . . . 28 VAL C . 11179 1 319 . 1 1 28 28 VAL CA C 13 65.803 0.300 . 1 . . . . 28 VAL CA . 11179 1 320 . 1 1 28 28 VAL CB C 13 31.211 0.300 . 1 . . . . 28 VAL CB . 11179 1 321 . 1 1 28 28 VAL CG1 C 13 20.810 0.300 . 2 . . . . 28 VAL CG1 . 11179 1 322 . 1 1 28 28 VAL CG2 C 13 22.589 0.300 . 2 . . . . 28 VAL CG2 . 11179 1 323 . 1 1 28 28 VAL N N 15 122.040 0.300 . 1 . . . . 28 VAL N . 11179 1 324 . 1 1 29 29 GLY H H 1 8.491 0.030 . 1 . . . . 29 GLY H . 11179 1 325 . 1 1 29 29 GLY HA2 H 1 3.492 0.030 . 2 . . . . 29 GLY HA2 . 11179 1 326 . 1 1 29 29 GLY HA3 H 1 4.506 0.030 . 2 . . . . 29 GLY HA3 . 11179 1 327 . 1 1 29 29 GLY C C 13 174.756 0.300 . 1 . . . . 29 GLY C . 11179 1 328 . 1 1 29 29 GLY CA C 13 44.648 0.300 . 1 . . . . 29 GLY CA . 11179 1 329 . 1 1 29 29 GLY N N 15 115.524 0.300 . 1 . . . . 29 GLY N . 11179 1 330 . 1 1 30 30 ASP H H 1 8.202 0.030 . 1 . . . . 30 ASP H . 11179 1 331 . 1 1 30 30 ASP HA H 1 4.473 0.030 . 1 . . . . 30 ASP HA . 11179 1 332 . 1 1 30 30 ASP HB2 H 1 2.805 0.030 . 2 . . . . 30 ASP HB2 . 11179 1 333 . 1 1 30 30 ASP HB3 H 1 2.408 0.030 . 2 . . . . 30 ASP HB3 . 11179 1 334 . 1 1 30 30 ASP C C 13 175.262 0.300 . 1 . . . . 30 ASP C . 11179 1 335 . 1 1 30 30 ASP CA C 13 55.834 0.300 . 1 . . . . 30 ASP CA . 11179 1 336 . 1 1 30 30 ASP CB C 13 41.861 0.300 . 1 . . . . 30 ASP CB . 11179 1 337 . 1 1 30 30 ASP N N 15 122.788 0.300 . 1 . . . . 30 ASP N . 11179 1 338 . 1 1 31 31 ILE H H 1 8.367 0.030 . 1 . . . . 31 ILE H . 11179 1 339 . 1 1 31 31 ILE HA H 1 4.895 0.030 . 1 . . . . 31 ILE HA . 11179 1 340 . 1 1 31 31 ILE HB H 1 1.848 0.030 . 1 . . . . 31 ILE HB . 11179 1 341 . 1 1 31 31 ILE HD11 H 1 0.805 0.030 . 1 . . . . 31 ILE HD1 . 11179 1 342 . 1 1 31 31 ILE HD12 H 1 0.805 0.030 . 1 . . . . 31 ILE HD1 . 11179 1 343 . 1 1 31 31 ILE HD13 H 1 0.805 0.030 . 1 . . . . 31 ILE HD1 . 11179 1 344 . 1 1 31 31 ILE HG12 H 1 1.191 0.030 . 2 . . . . 31 ILE HG12 . 11179 1 345 . 1 1 31 31 ILE HG13 H 1 1.647 0.030 . 2 . . . . 31 ILE HG13 . 11179 1 346 . 1 1 31 31 ILE HG21 H 1 0.845 0.030 . 1 . . . . 31 ILE HG2 . 11179 1 347 . 1 1 31 31 ILE HG22 H 1 0.845 0.030 . 1 . . . . 31 ILE HG2 . 11179 1 348 . 1 1 31 31 ILE HG23 H 1 0.845 0.030 . 1 . . . . 31 ILE HG2 . 11179 1 349 . 1 1 31 31 ILE C C 13 175.055 0.300 . 1 . . . . 31 ILE C . 11179 1 350 . 1 1 31 31 ILE CA C 13 59.502 0.300 . 1 . . . . 31 ILE CA . 11179 1 351 . 1 1 31 31 ILE CB C 13 38.130 0.300 . 1 . . . . 31 ILE CB . 11179 1 352 . 1 1 31 31 ILE CD1 C 13 11.800 0.300 . 1 . . . . 31 ILE CD1 . 11179 1 353 . 1 1 31 31 ILE CG1 C 13 27.478 0.300 . 1 . . . . 31 ILE CG1 . 11179 1 354 . 1 1 31 31 ILE CG2 C 13 17.532 0.300 . 1 . . . . 31 ILE CG2 . 11179 1 355 . 1 1 31 31 ILE N N 15 120.737 0.300 . 1 . . . . 31 ILE N . 11179 1 356 . 1 1 32 32 ILE H H 1 8.735 0.030 . 1 . . . . 32 ILE H . 11179 1 357 . 1 1 32 32 ILE HA H 1 4.350 0.030 . 1 . . . . 32 ILE HA . 11179 1 358 . 1 1 32 32 ILE HB H 1 1.348 0.030 . 1 . . . . 32 ILE HB . 11179 1 359 . 1 1 32 32 ILE HD11 H 1 -0.106 0.030 . 1 . . . . 32 ILE HD1 . 11179 1 360 . 1 1 32 32 ILE HD12 H 1 -0.106 0.030 . 1 . . . . 32 ILE HD1 . 11179 1 361 . 1 1 32 32 ILE HD13 H 1 -0.106 0.030 . 1 . . . . 32 ILE HD1 . 11179 1 362 . 1 1 32 32 ILE HG12 H 1 0.554 0.030 . 2 . . . . 32 ILE HG12 . 11179 1 363 . 1 1 32 32 ILE HG13 H 1 1.154 0.030 . 2 . . . . 32 ILE HG13 . 11179 1 364 . 1 1 32 32 ILE HG21 H 1 0.478 0.030 . 1 . . . . 32 ILE HG2 . 11179 1 365 . 1 1 32 32 ILE HG22 H 1 0.478 0.030 . 1 . . . . 32 ILE HG2 . 11179 1 366 . 1 1 32 32 ILE HG23 H 1 0.478 0.030 . 1 . . . . 32 ILE HG2 . 11179 1 367 . 1 1 32 32 ILE C C 13 175.154 0.300 . 1 . . . . 32 ILE C . 11179 1 368 . 1 1 32 32 ILE CA C 13 59.382 0.300 . 1 . . . . 32 ILE CA . 11179 1 369 . 1 1 32 32 ILE CB C 13 42.044 0.300 . 1 . . . . 32 ILE CB . 11179 1 370 . 1 1 32 32 ILE CD1 C 13 14.107 0.300 . 1 . . . . 32 ILE CD1 . 11179 1 371 . 1 1 32 32 ILE CG1 C 13 28.030 0.300 . 1 . . . . 32 ILE CG1 . 11179 1 372 . 1 1 32 32 ILE CG2 C 13 17.405 0.300 . 1 . . . . 32 ILE CG2 . 11179 1 373 . 1 1 32 32 ILE N N 15 126.455 0.300 . 1 . . . . 32 ILE N . 11179 1 374 . 1 1 33 33 GLU H H 1 8.020 0.030 . 1 . . . . 33 GLU H . 11179 1 375 . 1 1 33 33 GLU HA H 1 4.756 0.030 . 1 . . . . 33 GLU HA . 11179 1 376 . 1 1 33 33 GLU HB2 H 1 1.965 0.030 . 2 . . . . 33 GLU HB2 . 11179 1 377 . 1 1 33 33 GLU HB3 H 1 2.063 0.030 . 2 . . . . 33 GLU HB3 . 11179 1 378 . 1 1 33 33 GLU HG2 H 1 2.229 0.030 . 2 . . . . 33 GLU HG2 . 11179 1 379 . 1 1 33 33 GLU HG3 H 1 2.063 0.030 . 2 . . . . 33 GLU HG3 . 11179 1 380 . 1 1 33 33 GLU C C 13 175.600 0.300 . 1 . . . . 33 GLU C . 11179 1 381 . 1 1 33 33 GLU CA C 13 55.097 0.300 . 1 . . . . 33 GLU CA . 11179 1 382 . 1 1 33 33 GLU CB C 13 30.429 0.300 . 1 . . . . 33 GLU CB . 11179 1 383 . 1 1 33 33 GLU CG C 13 35.945 0.300 . 1 . . . . 33 GLU CG . 11179 1 384 . 1 1 33 33 GLU N N 15 125.751 0.300 . 1 . . . . 33 GLU N . 11179 1 385 . 1 1 34 34 VAL H H 1 8.957 0.030 . 1 . . . . 34 VAL H . 11179 1 386 . 1 1 34 34 VAL HA H 1 4.192 0.030 . 1 . . . . 34 VAL HA . 11179 1 387 . 1 1 34 34 VAL HB H 1 2.004 0.030 . 1 . . . . 34 VAL HB . 11179 1 388 . 1 1 34 34 VAL HG11 H 1 0.820 0.030 . 1 . . . . 34 VAL HG1 . 11179 1 389 . 1 1 34 34 VAL HG12 H 1 0.820 0.030 . 1 . . . . 34 VAL HG1 . 11179 1 390 . 1 1 34 34 VAL HG13 H 1 0.820 0.030 . 1 . . . . 34 VAL HG1 . 11179 1 391 . 1 1 34 34 VAL HG21 H 1 1.230 0.030 . 1 . . . . 34 VAL HG2 . 11179 1 392 . 1 1 34 34 VAL HG22 H 1 1.230 0.030 . 1 . . . . 34 VAL HG2 . 11179 1 393 . 1 1 34 34 VAL HG23 H 1 1.230 0.030 . 1 . . . . 34 VAL HG2 . 11179 1 394 . 1 1 34 34 VAL C C 13 176.340 0.300 . 1 . . . . 34 VAL C . 11179 1 395 . 1 1 34 34 VAL CA C 13 64.587 0.300 . 1 . . . . 34 VAL CA . 11179 1 396 . 1 1 34 34 VAL CB C 13 32.689 0.300 . 1 . . . . 34 VAL CB . 11179 1 397 . 1 1 34 34 VAL CG1 C 13 21.613 0.300 . 2 . . . . 34 VAL CG1 . 11179 1 398 . 1 1 34 34 VAL CG2 C 13 23.700 0.300 . 2 . . . . 34 VAL CG2 . 11179 1 399 . 1 1 34 34 VAL N N 15 127.513 0.300 . 1 . . . . 34 VAL N . 11179 1 400 . 1 1 35 35 VAL H H 1 9.281 0.030 . 1 . . . . 35 VAL H . 11179 1 401 . 1 1 35 35 VAL HA H 1 4.335 0.030 . 1 . . . . 35 VAL HA . 11179 1 402 . 1 1 35 35 VAL HB H 1 2.004 0.030 . 1 . . . . 35 VAL HB . 11179 1 403 . 1 1 35 35 VAL HG11 H 1 0.874 0.030 . 1 . . . . 35 VAL HG1 . 11179 1 404 . 1 1 35 35 VAL HG12 H 1 0.874 0.030 . 1 . . . . 35 VAL HG1 . 11179 1 405 . 1 1 35 35 VAL HG13 H 1 0.874 0.030 . 1 . . . . 35 VAL HG1 . 11179 1 406 . 1 1 35 35 VAL HG21 H 1 0.827 0.030 . 1 . . . . 35 VAL HG2 . 11179 1 407 . 1 1 35 35 VAL HG22 H 1 0.827 0.030 . 1 . . . . 35 VAL HG2 . 11179 1 408 . 1 1 35 35 VAL HG23 H 1 0.827 0.030 . 1 . . . . 35 VAL HG2 . 11179 1 409 . 1 1 35 35 VAL C C 13 176.196 0.300 . 1 . . . . 35 VAL C . 11179 1 410 . 1 1 35 35 VAL CA C 13 62.838 0.300 . 1 . . . . 35 VAL CA . 11179 1 411 . 1 1 35 35 VAL CB C 13 33.060 0.300 . 1 . . . . 35 VAL CB . 11179 1 412 . 1 1 35 35 VAL CG1 C 13 21.188 0.300 . 2 . . . . 35 VAL CG1 . 11179 1 413 . 1 1 35 35 VAL CG2 C 13 20.358 0.300 . 2 . . . . 35 VAL CG2 . 11179 1 414 . 1 1 35 35 VAL N N 15 125.900 0.300 . 1 . . . . 35 VAL N . 11179 1 415 . 1 1 36 36 GLY H H 1 7.573 0.030 . 1 . . . . 36 GLY H . 11179 1 416 . 1 1 36 36 GLY HA2 H 1 3.877 0.030 . 2 . . . . 36 GLY HA2 . 11179 1 417 . 1 1 36 36 GLY HA3 H 1 4.124 0.030 . 2 . . . . 36 GLY HA3 . 11179 1 418 . 1 1 36 36 GLY C C 13 170.890 0.300 . 1 . . . . 36 GLY C . 11179 1 419 . 1 1 36 36 GLY CA C 13 45.475 0.300 . 1 . . . . 36 GLY CA . 11179 1 420 . 1 1 36 36 GLY N N 15 106.624 0.300 . 1 . . . . 36 GLY N . 11179 1 421 . 1 1 37 37 GLU H H 1 8.421 0.030 . 1 . . . . 37 GLU H . 11179 1 422 . 1 1 37 37 GLU HA H 1 4.384 0.030 . 1 . . . . 37 GLU HA . 11179 1 423 . 1 1 37 37 GLU HB2 H 1 1.612 0.030 . 2 . . . . 37 GLU HB2 . 11179 1 424 . 1 1 37 37 GLU HB3 H 1 1.778 0.030 . 2 . . . . 37 GLU HB3 . 11179 1 425 . 1 1 37 37 GLU HG2 H 1 1.312 0.030 . 2 . . . . 37 GLU HG2 . 11179 1 426 . 1 1 37 37 GLU HG3 H 1 1.749 0.030 . 2 . . . . 37 GLU HG3 . 11179 1 427 . 1 1 37 37 GLU C C 13 176.000 0.300 . 1 . . . . 37 GLU C . 11179 1 428 . 1 1 37 37 GLU CA C 13 55.908 0.300 . 1 . . . . 37 GLU CA . 11179 1 429 . 1 1 37 37 GLU CB C 13 30.650 0.300 . 1 . . . . 37 GLU CB . 11179 1 430 . 1 1 37 37 GLU CG C 13 35.730 0.300 . 1 . . . . 37 GLU CG . 11179 1 431 . 1 1 37 37 GLU N N 15 120.862 0.300 . 1 . . . . 37 GLU N . 11179 1 432 . 1 1 38 38 VAL H H 1 8.407 0.030 . 1 . . . . 38 VAL H . 11179 1 433 . 1 1 38 38 VAL HA H 1 4.046 0.030 . 1 . . . . 38 VAL HA . 11179 1 434 . 1 1 38 38 VAL HB H 1 1.991 0.030 . 1 . . . . 38 VAL HB . 11179 1 435 . 1 1 38 38 VAL HG11 H 1 0.956 0.030 . 1 . . . . 38 VAL HG1 . 11179 1 436 . 1 1 38 38 VAL HG12 H 1 0.956 0.030 . 1 . . . . 38 VAL HG1 . 11179 1 437 . 1 1 38 38 VAL HG13 H 1 0.956 0.030 . 1 . . . . 38 VAL HG1 . 11179 1 438 . 1 1 38 38 VAL HG21 H 1 0.916 0.030 . 1 . . . . 38 VAL HG2 . 11179 1 439 . 1 1 38 38 VAL HG22 H 1 0.916 0.030 . 1 . . . . 38 VAL HG2 . 11179 1 440 . 1 1 38 38 VAL HG23 H 1 0.916 0.030 . 1 . . . . 38 VAL HG2 . 11179 1 441 . 1 1 38 38 VAL C C 13 175.754 0.300 . 1 . . . . 38 VAL C . 11179 1 442 . 1 1 38 38 VAL CA C 13 64.634 0.300 . 1 . . . . 38 VAL CA . 11179 1 443 . 1 1 38 38 VAL CB C 13 33.287 0.300 . 1 . . . . 38 VAL CB . 11179 1 444 . 1 1 38 38 VAL CG1 C 13 21.312 0.300 . 2 . . . . 38 VAL CG1 . 11179 1 445 . 1 1 38 38 VAL CG2 C 13 21.620 0.300 . 2 . . . . 38 VAL CG2 . 11179 1 446 . 1 1 38 38 VAL N N 15 124.343 0.300 . 1 . . . . 38 VAL N . 11179 1 447 . 1 1 39 39 GLU H H 1 8.312 0.030 . 1 . . . . 39 GLU H . 11179 1 448 . 1 1 39 39 GLU HA H 1 4.637 0.030 . 1 . . . . 39 GLU HA . 11179 1 449 . 1 1 39 39 GLU HB2 H 1 2.066 0.030 . 2 . . . . 39 GLU HB2 . 11179 1 450 . 1 1 39 39 GLU HB3 H 1 2.335 0.030 . 2 . . . . 39 GLU HB3 . 11179 1 451 . 1 1 39 39 GLU HG2 H 1 2.228 0.030 . 1 . . . . 39 GLU HG2 . 11179 1 452 . 1 1 39 39 GLU HG3 H 1 2.228 0.030 . 1 . . . . 39 GLU HG3 . 11179 1 453 . 1 1 39 39 GLU C C 13 175.403 0.300 . 1 . . . . 39 GLU C . 11179 1 454 . 1 1 39 39 GLU CA C 13 54.683 0.300 . 1 . . . . 39 GLU CA . 11179 1 455 . 1 1 39 39 GLU CB C 13 32.409 0.300 . 1 . . . . 39 GLU CB . 11179 1 456 . 1 1 39 39 GLU CG C 13 35.715 0.300 . 1 . . . . 39 GLU CG . 11179 1 457 . 1 1 39 39 GLU N N 15 116.387 0.300 . 1 . . . . 39 GLU N . 11179 1 458 . 1 1 40 40 GLU H H 1 8.974 0.030 . 1 . . . . 40 GLU H . 11179 1 459 . 1 1 40 40 GLU HA H 1 4.130 0.030 . 1 . . . . 40 GLU HA . 11179 1 460 . 1 1 40 40 GLU HB2 H 1 2.037 0.030 . 2 . . . . 40 GLU HB2 . 11179 1 461 . 1 1 40 40 GLU HB3 H 1 2.089 0.030 . 2 . . . . 40 GLU HB3 . 11179 1 462 . 1 1 40 40 GLU HG2 H 1 2.288 0.030 . 1 . . . . 40 GLU HG2 . 11179 1 463 . 1 1 40 40 GLU HG3 H 1 2.288 0.030 . 1 . . . . 40 GLU HG3 . 11179 1 464 . 1 1 40 40 GLU C C 13 177.892 0.300 . 1 . . . . 40 GLU C . 11179 1 465 . 1 1 40 40 GLU CA C 13 59.346 0.300 . 1 . . . . 40 GLU CA . 11179 1 466 . 1 1 40 40 GLU CB C 13 29.082 0.300 . 1 . . . . 40 GLU CB . 11179 1 467 . 1 1 40 40 GLU CG C 13 35.990 0.300 . 1 . . . . 40 GLU CG . 11179 1 468 . 1 1 40 40 GLU N N 15 121.939 0.300 . 1 . . . . 40 GLU N . 11179 1 469 . 1 1 41 41 GLY H H 1 8.836 0.030 . 1 . . . . 41 GLY H . 11179 1 470 . 1 1 41 41 GLY HA2 H 1 3.609 0.030 . 2 . . . . 41 GLY HA2 . 11179 1 471 . 1 1 41 41 GLY HA3 H 1 3.994 0.030 . 2 . . . . 41 GLY HA3 . 11179 1 472 . 1 1 41 41 GLY C C 13 174.839 0.300 . 1 . . . . 41 GLY C . 11179 1 473 . 1 1 41 41 GLY CA C 13 45.373 0.300 . 1 . . . . 41 GLY CA . 11179 1 474 . 1 1 41 41 GLY N N 15 112.229 0.300 . 1 . . . . 41 GLY N . 11179 1 475 . 1 1 42 42 TRP H H 1 8.393 0.030 . 1 . . . . 42 TRP H . 11179 1 476 . 1 1 42 42 TRP HA H 1 4.869 0.030 . 1 . . . . 42 TRP HA . 11179 1 477 . 1 1 42 42 TRP HB2 H 1 2.735 0.030 . 2 . . . . 42 TRP HB2 . 11179 1 478 . 1 1 42 42 TRP HB3 H 1 2.940 0.030 . 2 . . . . 42 TRP HB3 . 11179 1 479 . 1 1 42 42 TRP HD1 H 1 7.100 0.030 . 1 . . . . 42 TRP HD1 . 11179 1 480 . 1 1 42 42 TRP HE1 H 1 9.979 0.030 . 1 . . . . 42 TRP HE1 . 11179 1 481 . 1 1 42 42 TRP HE3 H 1 7.095 0.030 . 1 . . . . 42 TRP HE3 . 11179 1 482 . 1 1 42 42 TRP HH2 H 1 7.195 0.030 . 1 . . . . 42 TRP HH2 . 11179 1 483 . 1 1 42 42 TRP HZ2 H 1 7.383 0.030 . 1 . . . . 42 TRP HZ2 . 11179 1 484 . 1 1 42 42 TRP HZ3 H 1 6.541 0.030 . 1 . . . . 42 TRP HZ3 . 11179 1 485 . 1 1 42 42 TRP C C 13 174.084 0.300 . 1 . . . . 42 TRP C . 11179 1 486 . 1 1 42 42 TRP CA C 13 57.271 0.300 . 1 . . . . 42 TRP CA . 11179 1 487 . 1 1 42 42 TRP CB C 13 32.295 0.300 . 1 . . . . 42 TRP CB . 11179 1 488 . 1 1 42 42 TRP CD1 C 13 126.478 0.300 . 1 . . . . 42 TRP CD1 . 11179 1 489 . 1 1 42 42 TRP CE3 C 13 119.507 0.300 . 1 . . . . 42 TRP CE3 . 11179 1 490 . 1 1 42 42 TRP CH2 C 13 124.934 0.300 . 1 . . . . 42 TRP CH2 . 11179 1 491 . 1 1 42 42 TRP CZ2 C 13 114.453 0.300 . 1 . . . . 42 TRP CZ2 . 11179 1 492 . 1 1 42 42 TRP CZ3 C 13 120.065 0.300 . 1 . . . . 42 TRP CZ3 . 11179 1 493 . 1 1 42 42 TRP N N 15 121.794 0.300 . 1 . . . . 42 TRP N . 11179 1 494 . 1 1 42 42 TRP NE1 N 15 129.223 0.300 . 1 . . . . 42 TRP NE1 . 11179 1 495 . 1 1 43 43 TRP H H 1 8.535 0.030 . 1 . . . . 43 TRP H . 11179 1 496 . 1 1 43 43 TRP HA H 1 5.293 0.030 . 1 . . . . 43 TRP HA . 11179 1 497 . 1 1 43 43 TRP HB2 H 1 2.034 0.030 . 2 . . . . 43 TRP HB2 . 11179 1 498 . 1 1 43 43 TRP HB3 H 1 2.979 0.030 . 2 . . . . 43 TRP HB3 . 11179 1 499 . 1 1 43 43 TRP HD1 H 1 7.166 0.030 . 1 . . . . 43 TRP HD1 . 11179 1 500 . 1 1 43 43 TRP HE1 H 1 10.075 0.030 . 1 . . . . 43 TRP HE1 . 11179 1 501 . 1 1 43 43 TRP HE3 H 1 7.463 0.030 . 1 . . . . 43 TRP HE3 . 11179 1 502 . 1 1 43 43 TRP HH2 H 1 7.210 0.030 . 1 . . . . 43 TRP HH2 . 11179 1 503 . 1 1 43 43 TRP HZ2 H 1 7.468 0.030 . 1 . . . . 43 TRP HZ2 . 11179 1 504 . 1 1 43 43 TRP HZ3 H 1 7.004 0.030 . 1 . . . . 43 TRP HZ3 . 11179 1 505 . 1 1 43 43 TRP C C 13 172.549 0.300 . 1 . . . . 43 TRP C . 11179 1 506 . 1 1 43 43 TRP CA C 13 52.977 0.300 . 1 . . . . 43 TRP CA . 11179 1 507 . 1 1 43 43 TRP CB C 13 33.573 0.300 . 1 . . . . 43 TRP CB . 11179 1 508 . 1 1 43 43 TRP CD1 C 13 122.982 0.300 . 1 . . . . 43 TRP CD1 . 11179 1 509 . 1 1 43 43 TRP CE3 C 13 120.365 0.300 . 1 . . . . 43 TRP CE3 . 11179 1 510 . 1 1 43 43 TRP CH2 C 13 124.780 0.300 . 1 . . . . 43 TRP CH2 . 11179 1 511 . 1 1 43 43 TRP CZ2 C 13 114.679 0.300 . 1 . . . . 43 TRP CZ2 . 11179 1 512 . 1 1 43 43 TRP CZ3 C 13 121.677 0.300 . 1 . . . . 43 TRP CZ3 . 11179 1 513 . 1 1 43 43 TRP N N 15 125.521 0.300 . 1 . . . . 43 TRP N . 11179 1 514 . 1 1 43 43 TRP NE1 N 15 128.422 0.300 . 1 . . . . 43 TRP NE1 . 11179 1 515 . 1 1 44 44 GLU H H 1 8.830 0.030 . 1 . . . . 44 GLU H . 11179 1 516 . 1 1 44 44 GLU HA H 1 5.240 0.030 . 1 . . . . 44 GLU HA . 11179 1 517 . 1 1 44 44 GLU HB2 H 1 1.772 0.030 . 2 . . . . 44 GLU HB2 . 11179 1 518 . 1 1 44 44 GLU HB3 H 1 1.838 0.030 . 2 . . . . 44 GLU HB3 . 11179 1 519 . 1 1 44 44 GLU HG2 H 1 2.014 0.030 . 2 . . . . 44 GLU HG2 . 11179 1 520 . 1 1 44 44 GLU HG3 H 1 2.132 0.030 . 2 . . . . 44 GLU HG3 . 11179 1 521 . 1 1 44 44 GLU C C 13 176.897 0.300 . 1 . . . . 44 GLU C . 11179 1 522 . 1 1 44 44 GLU CA C 13 54.551 0.300 . 1 . . . . 44 GLU CA . 11179 1 523 . 1 1 44 44 GLU CB C 13 32.349 0.300 . 1 . . . . 44 GLU CB . 11179 1 524 . 1 1 44 44 GLU CG C 13 35.725 0.300 . 1 . . . . 44 GLU CG . 11179 1 525 . 1 1 44 44 GLU N N 15 119.599 0.300 . 1 . . . . 44 GLU N . 11179 1 526 . 1 1 45 45 GLY H H 1 9.596 0.030 . 1 . . . . 45 GLY H . 11179 1 527 . 1 1 45 45 GLY HA2 H 1 5.303 0.030 . 2 . . . . 45 GLY HA2 . 11179 1 528 . 1 1 45 45 GLY HA3 H 1 3.925 0.030 . 2 . . . . 45 GLY HA3 . 11179 1 529 . 1 1 45 45 GLY C C 13 169.679 0.300 . 1 . . . . 45 GLY C . 11179 1 530 . 1 1 45 45 GLY CA C 13 45.856 0.300 . 1 . . . . 45 GLY CA . 11179 1 531 . 1 1 45 45 GLY N N 15 113.542 0.300 . 1 . . . . 45 GLY N . 11179 1 532 . 1 1 46 46 VAL H H 1 8.966 0.030 . 1 . . . . 46 VAL H . 11179 1 533 . 1 1 46 46 VAL HA H 1 5.096 0.030 . 1 . . . . 46 VAL HA . 11179 1 534 . 1 1 46 46 VAL HB H 1 1.956 0.030 . 1 . . . . 46 VAL HB . 11179 1 535 . 1 1 46 46 VAL HG11 H 1 0.787 0.030 . 1 . . . . 46 VAL HG1 . 11179 1 536 . 1 1 46 46 VAL HG12 H 1 0.787 0.030 . 1 . . . . 46 VAL HG1 . 11179 1 537 . 1 1 46 46 VAL HG13 H 1 0.787 0.030 . 1 . . . . 46 VAL HG1 . 11179 1 538 . 1 1 46 46 VAL HG21 H 1 0.915 0.030 . 1 . . . . 46 VAL HG2 . 11179 1 539 . 1 1 46 46 VAL HG22 H 1 0.915 0.030 . 1 . . . . 46 VAL HG2 . 11179 1 540 . 1 1 46 46 VAL HG23 H 1 0.915 0.030 . 1 . . . . 46 VAL HG2 . 11179 1 541 . 1 1 46 46 VAL C C 13 175.851 0.300 . 1 . . . . 46 VAL C . 11179 1 542 . 1 1 46 46 VAL CA C 13 60.878 0.300 . 1 . . . . 46 VAL CA . 11179 1 543 . 1 1 46 46 VAL CB C 13 34.127 0.300 . 1 . . . . 46 VAL CB . 11179 1 544 . 1 1 46 46 VAL CG1 C 13 21.100 0.300 . 2 . . . . 46 VAL CG1 . 11179 1 545 . 1 1 46 46 VAL CG2 C 13 20.865 0.300 . 2 . . . . 46 VAL CG2 . 11179 1 546 . 1 1 46 46 VAL N N 15 118.333 0.300 . 1 . . . . 46 VAL N . 11179 1 547 . 1 1 47 47 LEU H H 1 9.186 0.030 . 1 . . . . 47 LEU H . 11179 1 548 . 1 1 47 47 LEU HA H 1 4.731 0.030 . 1 . . . . 47 LEU HA . 11179 1 549 . 1 1 47 47 LEU HB2 H 1 1.238 0.030 . 2 . . . . 47 LEU HB2 . 11179 1 550 . 1 1 47 47 LEU HB3 H 1 1.817 0.030 . 2 . . . . 47 LEU HB3 . 11179 1 551 . 1 1 47 47 LEU HD11 H 1 0.897 0.030 . 1 . . . . 47 LEU HD1 . 11179 1 552 . 1 1 47 47 LEU HD12 H 1 0.897 0.030 . 1 . . . . 47 LEU HD1 . 11179 1 553 . 1 1 47 47 LEU HD13 H 1 0.897 0.030 . 1 . . . . 47 LEU HD1 . 11179 1 554 . 1 1 47 47 LEU HD21 H 1 0.929 0.030 . 1 . . . . 47 LEU HD2 . 11179 1 555 . 1 1 47 47 LEU HD22 H 1 0.929 0.030 . 1 . . . . 47 LEU HD2 . 11179 1 556 . 1 1 47 47 LEU HD23 H 1 0.929 0.030 . 1 . . . . 47 LEU HD2 . 11179 1 557 . 1 1 47 47 LEU HG H 1 1.501 0.030 . 1 . . . . 47 LEU HG . 11179 1 558 . 1 1 47 47 LEU C C 13 176.101 0.300 . 1 . . . . 47 LEU C . 11179 1 559 . 1 1 47 47 LEU CA C 13 54.220 0.300 . 1 . . . . 47 LEU CA . 11179 1 560 . 1 1 47 47 LEU CB C 13 46.537 0.300 . 1 . . . . 47 LEU CB . 11179 1 561 . 1 1 47 47 LEU CD1 C 13 23.848 0.300 . 2 . . . . 47 LEU CD1 . 11179 1 562 . 1 1 47 47 LEU CD2 C 13 26.450 0.300 . 2 . . . . 47 LEU CD2 . 11179 1 563 . 1 1 47 47 LEU CG C 13 27.908 0.300 . 1 . . . . 47 LEU CG . 11179 1 564 . 1 1 47 47 LEU N N 15 130.038 0.300 . 1 . . . . 47 LEU N . 11179 1 565 . 1 1 48 48 ASN H H 1 9.801 0.030 . 1 . . . . 48 ASN H . 11179 1 566 . 1 1 48 48 ASN HA H 1 4.420 0.030 . 1 . . . . 48 ASN HA . 11179 1 567 . 1 1 48 48 ASN HB2 H 1 2.789 0.030 . 2 . . . . 48 ASN HB2 . 11179 1 568 . 1 1 48 48 ASN HB3 H 1 3.051 0.030 . 2 . . . . 48 ASN HB3 . 11179 1 569 . 1 1 48 48 ASN HD21 H 1 7.763 0.030 . 2 . . . . 48 ASN HD21 . 11179 1 570 . 1 1 48 48 ASN HD22 H 1 7.138 0.030 . 2 . . . . 48 ASN HD22 . 11179 1 571 . 1 1 48 48 ASN C C 13 175.437 0.300 . 1 . . . . 48 ASN C . 11179 1 572 . 1 1 48 48 ASN CA C 13 54.398 0.300 . 1 . . . . 48 ASN CA . 11179 1 573 . 1 1 48 48 ASN CB C 13 37.432 0.300 . 1 . . . . 48 ASN CB . 11179 1 574 . 1 1 48 48 ASN N N 15 128.184 0.300 . 1 . . . . 48 ASN N . 11179 1 575 . 1 1 48 48 ASN ND2 N 15 114.333 0.300 . 1 . . . . 48 ASN ND2 . 11179 1 576 . 1 1 49 49 GLY H H 1 8.530 0.030 . 1 . . . . 49 GLY H . 11179 1 577 . 1 1 49 49 GLY HA2 H 1 3.561 0.030 . 2 . . . . 49 GLY HA2 . 11179 1 578 . 1 1 49 49 GLY HA3 H 1 4.168 0.030 . 2 . . . . 49 GLY HA3 . 11179 1 579 . 1 1 49 49 GLY C C 13 173.346 0.300 . 1 . . . . 49 GLY C . 11179 1 580 . 1 1 49 49 GLY CA C 13 45.517 0.300 . 1 . . . . 49 GLY CA . 11179 1 581 . 1 1 49 49 GLY N N 15 103.023 0.300 . 1 . . . . 49 GLY N . 11179 1 582 . 1 1 50 50 LYS H H 1 7.888 0.030 . 1 . . . . 50 LYS H . 11179 1 583 . 1 1 50 50 LYS HA H 1 4.665 0.030 . 1 . . . . 50 LYS HA . 11179 1 584 . 1 1 50 50 LYS HB2 H 1 1.780 0.030 . 2 . . . . 50 LYS HB2 . 11179 1 585 . 1 1 50 50 LYS HB3 H 1 1.914 0.030 . 2 . . . . 50 LYS HB3 . 11179 1 586 . 1 1 50 50 LYS HD2 H 1 1.763 0.030 . 1 . . . . 50 LYS HD2 . 11179 1 587 . 1 1 50 50 LYS HD3 H 1 1.763 0.030 . 1 . . . . 50 LYS HD3 . 11179 1 588 . 1 1 50 50 LYS HE2 H 1 3.063 0.030 . 1 . . . . 50 LYS HE2 . 11179 1 589 . 1 1 50 50 LYS HE3 H 1 3.063 0.030 . 1 . . . . 50 LYS HE3 . 11179 1 590 . 1 1 50 50 LYS HG2 H 1 1.313 0.030 . 2 . . . . 50 LYS HG2 . 11179 1 591 . 1 1 50 50 LYS HG3 H 1 1.491 0.030 . 2 . . . . 50 LYS HG3 . 11179 1 592 . 1 1 50 50 LYS C C 13 174.485 0.300 . 1 . . . . 50 LYS C . 11179 1 593 . 1 1 50 50 LYS CA C 13 55.014 0.300 . 1 . . . . 50 LYS CA . 11179 1 594 . 1 1 50 50 LYS CB C 13 34.956 0.300 . 1 . . . . 50 LYS CB . 11179 1 595 . 1 1 50 50 LYS CD C 13 29.380 0.300 . 1 . . . . 50 LYS CD . 11179 1 596 . 1 1 50 50 LYS CE C 13 42.544 0.300 . 1 . . . . 50 LYS CE . 11179 1 597 . 1 1 50 50 LYS CG C 13 25.373 0.300 . 1 . . . . 50 LYS CG . 11179 1 598 . 1 1 50 50 LYS N N 15 123.459 0.300 . 1 . . . . 50 LYS N . 11179 1 599 . 1 1 51 51 THR H H 1 8.495 0.030 . 1 . . . . 51 THR H . 11179 1 600 . 1 1 51 51 THR HA H 1 5.519 0.030 . 1 . . . . 51 THR HA . 11179 1 601 . 1 1 51 51 THR HB H 1 4.027 0.030 . 1 . . . . 51 THR HB . 11179 1 602 . 1 1 51 51 THR HG21 H 1 1.176 0.030 . 1 . . . . 51 THR HG2 . 11179 1 603 . 1 1 51 51 THR HG22 H 1 1.176 0.030 . 1 . . . . 51 THR HG2 . 11179 1 604 . 1 1 51 51 THR HG23 H 1 1.176 0.030 . 1 . . . . 51 THR HG2 . 11179 1 605 . 1 1 51 51 THR C C 13 175.130 0.300 . 1 . . . . 51 THR C . 11179 1 606 . 1 1 51 51 THR CA C 13 61.013 0.300 . 1 . . . . 51 THR CA . 11179 1 607 . 1 1 51 51 THR CB C 13 69.946 0.300 . 1 . . . . 51 THR CB . 11179 1 608 . 1 1 51 51 THR CG2 C 13 21.315 0.300 . 1 . . . . 51 THR CG2 . 11179 1 609 . 1 1 51 51 THR N N 15 119.927 0.300 . 1 . . . . 51 THR N . 11179 1 610 . 1 1 52 52 GLY H H 1 9.062 0.030 . 1 . . . . 52 GLY H . 11179 1 611 . 1 1 52 52 GLY HA2 H 1 4.500 0.030 . 2 . . . . 52 GLY HA2 . 11179 1 612 . 1 1 52 52 GLY HA3 H 1 3.889 0.030 . 2 . . . . 52 GLY HA3 . 11179 1 613 . 1 1 52 52 GLY C C 13 171.163 0.300 . 1 . . . . 52 GLY C . 11179 1 614 . 1 1 52 52 GLY CA C 13 45.838 0.300 . 1 . . . . 52 GLY CA . 11179 1 615 . 1 1 52 52 GLY N N 15 112.796 0.300 . 1 . . . . 52 GLY N . 11179 1 616 . 1 1 53 53 MET H H 1 8.830 0.030 . 1 . . . . 53 MET H . 11179 1 617 . 1 1 53 53 MET HA H 1 5.933 0.030 . 1 . . . . 53 MET HA . 11179 1 618 . 1 1 53 53 MET HB2 H 1 2.063 0.030 . 2 . . . . 53 MET HB2 . 11179 1 619 . 1 1 53 53 MET HB3 H 1 2.142 0.030 . 2 . . . . 53 MET HB3 . 11179 1 620 . 1 1 53 53 MET HE1 H 1 1.827 0.030 . 1 . . . . 53 MET HE . 11179 1 621 . 1 1 53 53 MET HE2 H 1 1.827 0.030 . 1 . . . . 53 MET HE . 11179 1 622 . 1 1 53 53 MET HE3 H 1 1.827 0.030 . 1 . . . . 53 MET HE . 11179 1 623 . 1 1 53 53 MET HG2 H 1 2.560 0.030 . 2 . . . . 53 MET HG2 . 11179 1 624 . 1 1 53 53 MET HG3 H 1 2.656 0.030 . 2 . . . . 53 MET HG3 . 11179 1 625 . 1 1 53 53 MET C C 13 176.565 0.300 . 1 . . . . 53 MET C . 11179 1 626 . 1 1 53 53 MET CA C 13 54.134 0.300 . 1 . . . . 53 MET CA . 11179 1 627 . 1 1 53 53 MET CB C 13 35.608 0.300 . 1 . . . . 53 MET CB . 11179 1 628 . 1 1 53 53 MET CE C 13 16.746 0.300 . 1 . . . . 53 MET CE . 11179 1 629 . 1 1 53 53 MET CG C 13 32.098 0.300 . 1 . . . . 53 MET CG . 11179 1 630 . 1 1 53 53 MET N N 15 117.526 0.300 . 1 . . . . 53 MET N . 11179 1 631 . 1 1 54 54 PHE H H 1 9.159 0.030 . 1 . . . . 54 PHE H . 11179 1 632 . 1 1 54 54 PHE HA H 1 5.091 0.030 . 1 . . . . 54 PHE HA . 11179 1 633 . 1 1 54 54 PHE HB2 H 1 2.739 0.030 . 2 . . . . 54 PHE HB2 . 11179 1 634 . 1 1 54 54 PHE HB3 H 1 3.065 0.030 . 2 . . . . 54 PHE HB3 . 11179 1 635 . 1 1 54 54 PHE HD1 H 1 6.893 0.030 . 1 . . . . 54 PHE HD1 . 11179 1 636 . 1 1 54 54 PHE HD2 H 1 6.893 0.030 . 1 . . . . 54 PHE HD2 . 11179 1 637 . 1 1 54 54 PHE HE1 H 1 6.946 0.030 . 1 . . . . 54 PHE HE1 . 11179 1 638 . 1 1 54 54 PHE HE2 H 1 6.946 0.030 . 1 . . . . 54 PHE HE2 . 11179 1 639 . 1 1 54 54 PHE HZ H 1 7.296 0.030 . 1 . . . . 54 PHE HZ . 11179 1 640 . 1 1 54 54 PHE C C 13 170.343 0.300 . 1 . . . . 54 PHE C . 11179 1 641 . 1 1 54 54 PHE CA C 13 55.292 0.300 . 1 . . . . 54 PHE CA . 11179 1 642 . 1 1 54 54 PHE CB C 13 39.500 0.300 . 1 . . . . 54 PHE CB . 11179 1 643 . 1 1 54 54 PHE CD1 C 13 133.458 0.300 . 1 . . . . 54 PHE CD1 . 11179 1 644 . 1 1 54 54 PHE CD2 C 13 133.458 0.300 . 1 . . . . 54 PHE CD2 . 11179 1 645 . 1 1 54 54 PHE CE1 C 13 129.896 0.300 . 1 . . . . 54 PHE CE1 . 11179 1 646 . 1 1 54 54 PHE CE2 C 13 129.896 0.300 . 1 . . . . 54 PHE CE2 . 11179 1 647 . 1 1 54 54 PHE CZ C 13 129.147 0.300 . 1 . . . . 54 PHE CZ . 11179 1 648 . 1 1 54 54 PHE N N 15 116.327 0.300 . 1 . . . . 54 PHE N . 11179 1 649 . 1 1 55 55 PRO HA H 1 3.775 0.030 . 1 . . . . 55 PRO HA . 11179 1 650 . 1 1 55 55 PRO HB2 H 1 1.270 0.030 . 2 . . . . 55 PRO HB2 . 11179 1 651 . 1 1 55 55 PRO HB3 H 1 0.778 0.030 . 2 . . . . 55 PRO HB3 . 11179 1 652 . 1 1 55 55 PRO HD2 H 1 2.701 0.030 . 1 . . . . 55 PRO HD2 . 11179 1 653 . 1 1 55 55 PRO HD3 H 1 2.701 0.030 . 1 . . . . 55 PRO HD3 . 11179 1 654 . 1 1 55 55 PRO HG2 H 1 0.758 0.030 . 2 . . . . 55 PRO HG2 . 11179 1 655 . 1 1 55 55 PRO HG3 H 1 0.164 0.030 . 2 . . . . 55 PRO HG3 . 11179 1 656 . 1 1 55 55 PRO C C 13 178.407 0.300 . 1 . . . . 55 PRO C . 11179 1 657 . 1 1 55 55 PRO CA C 13 60.593 0.300 . 1 . . . . 55 PRO CA . 11179 1 658 . 1 1 55 55 PRO CB C 13 30.313 0.300 . 1 . . . . 55 PRO CB . 11179 1 659 . 1 1 55 55 PRO CD C 13 50.175 0.300 . 1 . . . . 55 PRO CD . 11179 1 660 . 1 1 55 55 PRO CG C 13 26.773 0.300 . 1 . . . . 55 PRO CG . 11179 1 661 . 1 1 56 56 SER H H 1 7.574 0.030 . 1 . . . . 56 SER H . 11179 1 662 . 1 1 56 56 SER HA H 1 3.040 0.030 . 1 . . . . 56 SER HA . 11179 1 663 . 1 1 56 56 SER HB2 H 1 2.187 0.030 . 2 . . . . 56 SER HB2 . 11179 1 664 . 1 1 56 56 SER HB3 H 1 1.615 0.030 . 2 . . . . 56 SER HB3 . 11179 1 665 . 1 1 56 56 SER C C 13 175.262 0.300 . 1 . . . . 56 SER C . 11179 1 666 . 1 1 56 56 SER CA C 13 60.233 0.300 . 1 . . . . 56 SER CA . 11179 1 667 . 1 1 56 56 SER CB C 13 61.170 0.300 . 1 . . . . 56 SER CB . 11179 1 668 . 1 1 56 56 SER N N 15 120.338 0.300 . 1 . . . . 56 SER N . 11179 1 669 . 1 1 57 57 ASN H H 1 8.407 0.030 . 1 . . . . 57 ASN H . 11179 1 670 . 1 1 57 57 ASN HA H 1 4.569 0.030 . 1 . . . . 57 ASN HA . 11179 1 671 . 1 1 57 57 ASN HB2 H 1 2.599 0.030 . 2 . . . . 57 ASN HB2 . 11179 1 672 . 1 1 57 57 ASN HB3 H 1 2.710 0.030 . 2 . . . . 57 ASN HB3 . 11179 1 673 . 1 1 57 57 ASN HD21 H 1 6.660 0.030 . 2 . . . . 57 ASN HD21 . 11179 1 674 . 1 1 57 57 ASN HD22 H 1 7.397 0.030 . 2 . . . . 57 ASN HD22 . 11179 1 675 . 1 1 57 57 ASN C C 13 175.644 0.300 . 1 . . . . 57 ASN C . 11179 1 676 . 1 1 57 57 ASN CA C 13 53.947 0.300 . 1 . . . . 57 ASN CA . 11179 1 677 . 1 1 57 57 ASN CB C 13 36.318 0.300 . 1 . . . . 57 ASN CB . 11179 1 678 . 1 1 57 57 ASN N N 15 116.452 0.300 . 1 . . . . 57 ASN N . 11179 1 679 . 1 1 57 57 ASN ND2 N 15 112.800 0.300 . 1 . . . . 57 ASN ND2 . 11179 1 680 . 1 1 58 58 PHE H H 1 7.614 0.030 . 1 . . . . 58 PHE H . 11179 1 681 . 1 1 58 58 PHE HA H 1 4.773 0.030 . 1 . . . . 58 PHE HA . 11179 1 682 . 1 1 58 58 PHE HB2 H 1 2.968 0.030 . 2 . . . . 58 PHE HB2 . 11179 1 683 . 1 1 58 58 PHE HB3 H 1 3.810 0.030 . 2 . . . . 58 PHE HB3 . 11179 1 684 . 1 1 58 58 PHE HD1 H 1 7.088 0.030 . 1 . . . . 58 PHE HD1 . 11179 1 685 . 1 1 58 58 PHE HD2 H 1 7.088 0.030 . 1 . . . . 58 PHE HD2 . 11179 1 686 . 1 1 58 58 PHE HE1 H 1 7.370 0.030 . 1 . . . . 58 PHE HE1 . 11179 1 687 . 1 1 58 58 PHE HE2 H 1 7.370 0.030 . 1 . . . . 58 PHE HE2 . 11179 1 688 . 1 1 58 58 PHE HZ H 1 7.342 0.030 . 1 . . . . 58 PHE HZ . 11179 1 689 . 1 1 58 58 PHE C C 13 175.121 0.300 . 1 . . . . 58 PHE C . 11179 1 690 . 1 1 58 58 PHE CA C 13 57.863 0.300 . 1 . . . . 58 PHE CA . 11179 1 691 . 1 1 58 58 PHE CB C 13 37.952 0.300 . 1 . . . . 58 PHE CB . 11179 1 692 . 1 1 58 58 PHE CD1 C 13 130.928 0.300 . 1 . . . . 58 PHE CD1 . 11179 1 693 . 1 1 58 58 PHE CD2 C 13 130.928 0.300 . 1 . . . . 58 PHE CD2 . 11179 1 694 . 1 1 58 58 PHE CE1 C 13 131.158 0.300 . 1 . . . . 58 PHE CE1 . 11179 1 695 . 1 1 58 58 PHE CE2 C 13 131.158 0.300 . 1 . . . . 58 PHE CE2 . 11179 1 696 . 1 1 58 58 PHE CZ C 13 129.762 0.300 . 1 . . . . 58 PHE CZ . 11179 1 697 . 1 1 58 58 PHE N N 15 119.196 0.300 . 1 . . . . 58 PHE N . 11179 1 698 . 1 1 59 59 ILE H H 1 7.191 0.030 . 1 . . . . 59 ILE H . 11179 1 699 . 1 1 59 59 ILE HA H 1 5.112 0.030 . 1 . . . . 59 ILE HA . 11179 1 700 . 1 1 59 59 ILE HB H 1 1.873 0.030 . 1 . . . . 59 ILE HB . 11179 1 701 . 1 1 59 59 ILE HD11 H 1 0.758 0.030 . 1 . . . . 59 ILE HD1 . 11179 1 702 . 1 1 59 59 ILE HD12 H 1 0.758 0.030 . 1 . . . . 59 ILE HD1 . 11179 1 703 . 1 1 59 59 ILE HD13 H 1 0.758 0.030 . 1 . . . . 59 ILE HD1 . 11179 1 704 . 1 1 59 59 ILE HG12 H 1 1.366 0.030 . 2 . . . . 59 ILE HG12 . 11179 1 705 . 1 1 59 59 ILE HG13 H 1 1.519 0.030 . 2 . . . . 59 ILE HG13 . 11179 1 706 . 1 1 59 59 ILE HG21 H 1 0.737 0.030 . 1 . . . . 59 ILE HG2 . 11179 1 707 . 1 1 59 59 ILE HG22 H 1 0.737 0.030 . 1 . . . . 59 ILE HG2 . 11179 1 708 . 1 1 59 59 ILE HG23 H 1 0.737 0.030 . 1 . . . . 59 ILE HG2 . 11179 1 709 . 1 1 59 59 ILE C C 13 175.086 0.300 . 1 . . . . 59 ILE C . 11179 1 710 . 1 1 59 59 ILE CA C 13 57.877 0.300 . 1 . . . . 59 ILE CA . 11179 1 711 . 1 1 59 59 ILE CB C 13 42.202 0.300 . 1 . . . . 59 ILE CB . 11179 1 712 . 1 1 59 59 ILE CD1 C 13 14.449 0.300 . 1 . . . . 59 ILE CD1 . 11179 1 713 . 1 1 59 59 ILE CG1 C 13 27.182 0.300 . 1 . . . . 59 ILE CG1 . 11179 1 714 . 1 1 59 59 ILE CG2 C 13 21.751 0.300 . 1 . . . . 59 ILE CG2 . 11179 1 715 . 1 1 59 59 ILE N N 15 110.998 0.300 . 1 . . . . 59 ILE N . 11179 1 716 . 1 1 60 60 LYS H H 1 9.144 0.030 . 1 . . . . 60 LYS H . 11179 1 717 . 1 1 60 60 LYS HA H 1 4.665 0.030 . 1 . . . . 60 LYS HA . 11179 1 718 . 1 1 60 60 LYS HB2 H 1 1.752 0.030 . 2 . . . . 60 LYS HB2 . 11179 1 719 . 1 1 60 60 LYS HB3 H 1 1.777 0.030 . 2 . . . . 60 LYS HB3 . 11179 1 720 . 1 1 60 60 LYS HD2 H 1 1.627 0.030 . 1 . . . . 60 LYS HD2 . 11179 1 721 . 1 1 60 60 LYS HD3 H 1 1.627 0.030 . 1 . . . . 60 LYS HD3 . 11179 1 722 . 1 1 60 60 LYS HE2 H 1 2.881 0.030 . 1 . . . . 60 LYS HE2 . 11179 1 723 . 1 1 60 60 LYS HE3 H 1 2.881 0.030 . 1 . . . . 60 LYS HE3 . 11179 1 724 . 1 1 60 60 LYS HG2 H 1 1.331 0.030 . 1 . . . . 60 LYS HG2 . 11179 1 725 . 1 1 60 60 LYS HG3 H 1 1.331 0.030 . 1 . . . . 60 LYS HG3 . 11179 1 726 . 1 1 60 60 LYS C C 13 175.644 0.300 . 1 . . . . 60 LYS C . 11179 1 727 . 1 1 60 60 LYS CA C 13 55.001 0.300 . 1 . . . . 60 LYS CA . 11179 1 728 . 1 1 60 60 LYS CB C 13 35.576 0.300 . 1 . . . . 60 LYS CB . 11179 1 729 . 1 1 60 60 LYS CD C 13 29.257 0.300 . 1 . . . . 60 LYS CD . 11179 1 730 . 1 1 60 60 LYS CE C 13 42.134 0.300 . 1 . . . . 60 LYS CE . 11179 1 731 . 1 1 60 60 LYS CG C 13 24.330 0.300 . 1 . . . . 60 LYS CG . 11179 1 732 . 1 1 60 60 LYS N N 15 120.592 0.300 . 1 . . . . 60 LYS N . 11179 1 733 . 1 1 61 61 GLU H H 1 8.952 0.030 . 1 . . . . 61 GLU H . 11179 1 734 . 1 1 61 61 GLU HA H 1 4.403 0.030 . 1 . . . . 61 GLU HA . 11179 1 735 . 1 1 61 61 GLU HB2 H 1 1.995 0.030 . 2 . . . . 61 GLU HB2 . 11179 1 736 . 1 1 61 61 GLU HB3 H 1 2.173 0.030 . 2 . . . . 61 GLU HB3 . 11179 1 737 . 1 1 61 61 GLU HG2 H 1 2.407 0.030 . 2 . . . . 61 GLU HG2 . 11179 1 738 . 1 1 61 61 GLU HG3 H 1 2.462 0.030 . 2 . . . . 61 GLU HG3 . 11179 1 739 . 1 1 61 61 GLU C C 13 176.596 0.300 . 1 . . . . 61 GLU C . 11179 1 740 . 1 1 61 61 GLU CA C 13 57.259 0.300 . 1 . . . . 61 GLU CA . 11179 1 741 . 1 1 61 61 GLU CB C 13 30.046 0.300 . 1 . . . . 61 GLU CB . 11179 1 742 . 1 1 61 61 GLU CG C 13 36.478 0.300 . 1 . . . . 61 GLU CG . 11179 1 743 . 1 1 61 61 GLU N N 15 123.257 0.300 . 1 . . . . 61 GLU N . 11179 1 744 . 1 1 62 62 LEU H H 1 8.611 0.030 . 1 . . . . 62 LEU H . 11179 1 745 . 1 1 62 62 LEU HA H 1 4.509 0.030 . 1 . . . . 62 LEU HA . 11179 1 746 . 1 1 62 62 LEU HB2 H 1 1.589 0.030 . 1 . . . . 62 LEU HB2 . 11179 1 747 . 1 1 62 62 LEU HB3 H 1 1.589 0.030 . 1 . . . . 62 LEU HB3 . 11179 1 748 . 1 1 62 62 LEU HD11 H 1 0.819 0.030 . 1 . . . . 62 LEU HD1 . 11179 1 749 . 1 1 62 62 LEU HD12 H 1 0.819 0.030 . 1 . . . . 62 LEU HD1 . 11179 1 750 . 1 1 62 62 LEU HD13 H 1 0.819 0.030 . 1 . . . . 62 LEU HD1 . 11179 1 751 . 1 1 62 62 LEU HD21 H 1 0.831 0.030 . 1 . . . . 62 LEU HD2 . 11179 1 752 . 1 1 62 62 LEU HD22 H 1 0.831 0.030 . 1 . . . . 62 LEU HD2 . 11179 1 753 . 1 1 62 62 LEU HD23 H 1 0.831 0.030 . 1 . . . . 62 LEU HD2 . 11179 1 754 . 1 1 62 62 LEU HG H 1 1.585 0.030 . 1 . . . . 62 LEU HG . 11179 1 755 . 1 1 62 62 LEU C C 13 177.069 0.300 . 1 . . . . 62 LEU C . 11179 1 756 . 1 1 62 62 LEU CA C 13 54.860 0.300 . 1 . . . . 62 LEU CA . 11179 1 757 . 1 1 62 62 LEU CB C 13 42.657 0.300 . 1 . . . . 62 LEU CB . 11179 1 758 . 1 1 62 62 LEU CD1 C 13 25.443 0.300 . 2 . . . . 62 LEU CD1 . 11179 1 759 . 1 1 62 62 LEU CD2 C 13 23.528 0.300 . 2 . . . . 62 LEU CD2 . 11179 1 760 . 1 1 62 62 LEU CG C 13 27.385 0.300 . 1 . . . . 62 LEU CG . 11179 1 761 . 1 1 62 62 LEU N N 15 123.745 0.300 . 1 . . . . 62 LEU N . 11179 1 762 . 1 1 63 63 SER H H 1 8.386 0.030 . 1 . . . . 63 SER H . 11179 1 763 . 1 1 63 63 SER HA H 1 4.568 0.030 . 1 . . . . 63 SER HA . 11179 1 764 . 1 1 63 63 SER HB2 H 1 3.891 0.030 . 1 . . . . 63 SER HB2 . 11179 1 765 . 1 1 63 63 SER HB3 H 1 3.891 0.030 . 1 . . . . 63 SER HB3 . 11179 1 766 . 1 1 63 63 SER C C 13 174.473 0.300 . 1 . . . . 63 SER C . 11179 1 767 . 1 1 63 63 SER CA C 13 58.161 0.300 . 1 . . . . 63 SER CA . 11179 1 768 . 1 1 63 63 SER CB C 13 64.291 0.300 . 1 . . . . 63 SER CB . 11179 1 769 . 1 1 63 63 SER N N 15 117.100 0.300 . 1 . . . . 63 SER N . 11179 1 770 . 1 1 64 64 GLY H H 1 8.352 0.030 . 1 . . . . 64 GLY H . 11179 1 771 . 1 1 64 64 GLY HA2 H 1 4.107 0.030 . 2 . . . . 64 GLY HA2 . 11179 1 772 . 1 1 64 64 GLY HA3 H 1 4.193 0.030 . 2 . . . . 64 GLY HA3 . 11179 1 773 . 1 1 64 64 GLY C C 13 171.906 0.300 . 1 . . . . 64 GLY C . 11179 1 774 . 1 1 64 64 GLY CA C 13 44.730 0.300 . 1 . . . . 64 GLY CA . 11179 1 775 . 1 1 64 64 GLY N N 15 110.646 0.300 . 1 . . . . 64 GLY N . 11179 1 776 . 1 1 65 65 PRO HA H 1 4.478 0.030 . 1 . . . . 65 PRO HA . 11179 1 777 . 1 1 65 65 PRO HB2 H 1 1.983 0.030 . 2 . . . . 65 PRO HB2 . 11179 1 778 . 1 1 65 65 PRO HB3 H 1 2.297 0.030 . 2 . . . . 65 PRO HB3 . 11179 1 779 . 1 1 65 65 PRO HD2 H 1 3.624 0.030 . 2 . . . . 65 PRO HD2 . 11179 1 780 . 1 1 65 65 PRO HD3 H 1 3.649 0.030 . 2 . . . . 65 PRO HD3 . 11179 1 781 . 1 1 65 65 PRO HG2 H 1 2.023 0.030 . 1 . . . . 65 PRO HG2 . 11179 1 782 . 1 1 65 65 PRO HG3 H 1 2.023 0.030 . 1 . . . . 65 PRO HG3 . 11179 1 783 . 1 1 65 65 PRO C C 13 177.419 0.300 . 1 . . . . 65 PRO C . 11179 1 784 . 1 1 65 65 PRO CA C 13 63.344 0.300 . 1 . . . . 65 PRO CA . 11179 1 785 . 1 1 65 65 PRO CB C 13 32.290 0.300 . 1 . . . . 65 PRO CB . 11179 1 786 . 1 1 65 65 PRO CD C 13 49.878 0.300 . 1 . . . . 65 PRO CD . 11179 1 787 . 1 1 65 65 PRO CG C 13 27.177 0.300 . 1 . . . . 65 PRO CG . 11179 1 788 . 1 1 66 66 SER H H 1 8.530 0.030 . 1 . . . . 66 SER H . 11179 1 789 . 1 1 66 66 SER HA H 1 4.501 0.030 . 1 . . . . 66 SER HA . 11179 1 790 . 1 1 66 66 SER HB2 H 1 3.928 0.030 . 1 . . . . 66 SER HB2 . 11179 1 791 . 1 1 66 66 SER HB3 H 1 3.928 0.030 . 1 . . . . 66 SER HB3 . 11179 1 792 . 1 1 66 66 SER C C 13 174.665 0.300 . 1 . . . . 66 SER C . 11179 1 793 . 1 1 66 66 SER CA C 13 58.415 0.300 . 1 . . . . 66 SER CA . 11179 1 794 . 1 1 66 66 SER CB C 13 63.746 0.300 . 1 . . . . 66 SER CB . 11179 1 795 . 1 1 66 66 SER N N 15 116.253 0.300 . 1 . . . . 66 SER N . 11179 1 796 . 1 1 67 67 SER H H 1 8.305 0.030 . 1 . . . . 67 SER H . 11179 1 797 . 1 1 67 67 SER HA H 1 4.494 0.030 . 1 . . . . 67 SER HA . 11179 1 798 . 1 1 67 67 SER HB2 H 1 3.907 0.030 . 1 . . . . 67 SER HB2 . 11179 1 799 . 1 1 67 67 SER HB3 H 1 3.907 0.030 . 1 . . . . 67 SER HB3 . 11179 1 800 . 1 1 67 67 SER C C 13 173.935 0.300 . 1 . . . . 67 SER C . 11179 1 801 . 1 1 67 67 SER CA C 13 58.415 0.300 . 1 . . . . 67 SER CA . 11179 1 802 . 1 1 67 67 SER CB C 13 64.102 0.300 . 1 . . . . 67 SER CB . 11179 1 803 . 1 1 67 67 SER N N 15 117.744 0.300 . 1 . . . . 67 SER N . 11179 1 804 . 1 1 68 68 GLY H H 1 8.038 0.030 . 1 . . . . 68 GLY H . 11179 1 805 . 1 1 68 68 GLY HA2 H 1 3.743 0.030 . 2 . . . . 68 GLY HA2 . 11179 1 806 . 1 1 68 68 GLY HA3 H 1 3.799 0.030 . 2 . . . . 68 GLY HA3 . 11179 1 807 . 1 1 68 68 GLY C C 13 178.999 0.300 . 1 . . . . 68 GLY C . 11179 1 808 . 1 1 68 68 GLY CA C 13 46.271 0.300 . 1 . . . . 68 GLY CA . 11179 1 809 . 1 1 68 68 GLY N N 15 116.826 0.300 . 1 . . . . 68 GLY N . 11179 1 stop_ save_