data_11357 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11357 _Entry.Title ; Solution structure of WW domain in transcription elongation regulator 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-07 _Entry.Accession_date 2010-09-07 _Entry.Last_release_date 2011-09-07 _Entry.Original_release_date 2011-09-07 _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 F. He . . . 11357 2 Y. Muto . . . 11357 3 M. Inoue . . . 11357 4 T. Kigawa . . . 11357 5 M. Shirouzu . . . 11357 6 T. Terada . . . 11357 7 S. Yokoyama . . . 11357 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)' . 11357 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11357 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 295 11357 '15N chemical shifts' 61 11357 '1H chemical shifts' 454 11357 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 . . 2011-09-07 2010-09-07 original author . 11357 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DK7 'BMRB Entry Tracking System' 11357 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11357 _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 WW domain in transcription elongation regulator 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 F. He . . . 11357 1 2 Y. Muto . . . 11357 1 3 M. Inoue . . . 11357 1 4 T. Kigawa . . . 11357 1 5 M. Shirouzu . . . 11357 1 6 T. Terada . . . 11357 1 7 S. Yokoyama . . . 11357 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11357 _Assembly.ID 1 _Assembly.Name 'Transcription elongation regulator 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 'WW domain' 1 $entity_1 A . yes native no no . . . 11357 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 2dk7 . . . . . . 11357 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11357 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'WW 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 ; GSSGSSGKAKPVATAPIPGT PWCVVWTGDERVFFYNPTTR LSMWDRPDDLIGRADVDKII QEPPHKKSGPSSG ; _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 73 _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 2DK7 . "Solution Structure Of Ww Domain In Transcription Elongation Regulator 1" . . . . . 100.00 73 100.00 100.00 2.63e-44 . . . . 11357 1 2 no REF XP_008143734 . "PREDICTED: transcription elongation regulator 1 [Eptesicus fuscus]" . . . . . 61.64 1082 97.78 100.00 3.88e-23 . . . . 11357 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'WW domain' . 11357 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 . 11357 1 2 . SER . 11357 1 3 . SER . 11357 1 4 . GLY . 11357 1 5 . SER . 11357 1 6 . SER . 11357 1 7 . GLY . 11357 1 8 . LYS . 11357 1 9 . ALA . 11357 1 10 . LYS . 11357 1 11 . PRO . 11357 1 12 . VAL . 11357 1 13 . ALA . 11357 1 14 . THR . 11357 1 15 . ALA . 11357 1 16 . PRO . 11357 1 17 . ILE . 11357 1 18 . PRO . 11357 1 19 . GLY . 11357 1 20 . THR . 11357 1 21 . PRO . 11357 1 22 . TRP . 11357 1 23 . CYS . 11357 1 24 . VAL . 11357 1 25 . VAL . 11357 1 26 . TRP . 11357 1 27 . THR . 11357 1 28 . GLY . 11357 1 29 . ASP . 11357 1 30 . GLU . 11357 1 31 . ARG . 11357 1 32 . VAL . 11357 1 33 . PHE . 11357 1 34 . PHE . 11357 1 35 . TYR . 11357 1 36 . ASN . 11357 1 37 . PRO . 11357 1 38 . THR . 11357 1 39 . THR . 11357 1 40 . ARG . 11357 1 41 . LEU . 11357 1 42 . SER . 11357 1 43 . MET . 11357 1 44 . TRP . 11357 1 45 . ASP . 11357 1 46 . ARG . 11357 1 47 . PRO . 11357 1 48 . ASP . 11357 1 49 . ASP . 11357 1 50 . LEU . 11357 1 51 . ILE . 11357 1 52 . GLY . 11357 1 53 . ARG . 11357 1 54 . ALA . 11357 1 55 . ASP . 11357 1 56 . VAL . 11357 1 57 . ASP . 11357 1 58 . LYS . 11357 1 59 . ILE . 11357 1 60 . ILE . 11357 1 61 . GLN . 11357 1 62 . GLU . 11357 1 63 . PRO . 11357 1 64 . PRO . 11357 1 65 . HIS . 11357 1 66 . LYS . 11357 1 67 . LYS . 11357 1 68 . SER . 11357 1 69 . GLY . 11357 1 70 . PRO . 11357 1 71 . SER . 11357 1 72 . SER . 11357 1 73 . GLY . 11357 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 11357 1 . SER 2 2 11357 1 . SER 3 3 11357 1 . GLY 4 4 11357 1 . SER 5 5 11357 1 . SER 6 6 11357 1 . GLY 7 7 11357 1 . LYS 8 8 11357 1 . ALA 9 9 11357 1 . LYS 10 10 11357 1 . PRO 11 11 11357 1 . VAL 12 12 11357 1 . ALA 13 13 11357 1 . THR 14 14 11357 1 . ALA 15 15 11357 1 . PRO 16 16 11357 1 . ILE 17 17 11357 1 . PRO 18 18 11357 1 . GLY 19 19 11357 1 . THR 20 20 11357 1 . PRO 21 21 11357 1 . TRP 22 22 11357 1 . CYS 23 23 11357 1 . VAL 24 24 11357 1 . VAL 25 25 11357 1 . TRP 26 26 11357 1 . THR 27 27 11357 1 . GLY 28 28 11357 1 . ASP 29 29 11357 1 . GLU 30 30 11357 1 . ARG 31 31 11357 1 . VAL 32 32 11357 1 . PHE 33 33 11357 1 . PHE 34 34 11357 1 . TYR 35 35 11357 1 . ASN 36 36 11357 1 . PRO 37 37 11357 1 . THR 38 38 11357 1 . THR 39 39 11357 1 . ARG 40 40 11357 1 . LEU 41 41 11357 1 . SER 42 42 11357 1 . MET 43 43 11357 1 . TRP 44 44 11357 1 . ASP 45 45 11357 1 . ARG 46 46 11357 1 . PRO 47 47 11357 1 . ASP 48 48 11357 1 . ASP 49 49 11357 1 . LEU 50 50 11357 1 . ILE 51 51 11357 1 . GLY 52 52 11357 1 . ARG 53 53 11357 1 . ALA 54 54 11357 1 . ASP 55 55 11357 1 . VAL 56 56 11357 1 . ASP 57 57 11357 1 . LYS 58 58 11357 1 . ILE 59 59 11357 1 . ILE 60 60 11357 1 . GLN 61 61 11357 1 . GLU 62 62 11357 1 . PRO 63 63 11357 1 . PRO 64 64 11357 1 . HIS 65 65 11357 1 . LYS 66 66 11357 1 . LYS 67 67 11357 1 . SER 68 68 11357 1 . GLY 69 69 11357 1 . PRO 70 70 11357 1 . SER 71 71 11357 1 . SER 72 72 11357 1 . GLY 73 73 11357 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 11357 _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 . . . . . . . . . . . . . . . . . . . . . 11357 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 11357 _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 . . P050822-13 . . . . . . 11357 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11357 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.8mM U-15N, {13C;} 20mM phosphate buffer {NA;} 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 'WW domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.8 . . mM . . . . 11357 1 2 'phosphate buffer NA' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11357 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11357 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11357 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11357 1 6 H2O . . . . . . solvent 90 . . % . . . . 11357 1 7 D2O . . . . . . solvent 10 . . % . . . . 11357 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 11357 _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 11357 1 pH 7.0 0.05 pH 11357 1 pressure 1 0.001 atm 11357 1 temperature 298 0.1 K 11357 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11357 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11357 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11357 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11357 _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.' . . 11357 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11357 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11357 _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.' . . 11357 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11357 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11357 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9321 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi N.' . . 11357 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11357 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11357 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert P.' . . 11357 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11357 5 'structure solution' 11357 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 11357 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 11357 _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 Bruker AVANCE . 800 . . . 11357 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 11357 _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 . . . . . . . . . . . . . . . . 11357 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11357 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 11357 _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 . . . . . . . . . 11357 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11357 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11357 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 11357 _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 11357 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11357 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 $XWINNMR . . 11357 1 2 $NMRPipe . . 11357 1 3 $NMRView . . 11357 1 4 $Kujira . . 11357 1 5 $CYANA . . 11357 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 HA2 H 1 3.971 0.030 . 1 . . . . 7 GLY HA2 . 11357 1 2 . 1 1 7 7 GLY HA3 H 1 3.971 0.030 . 1 . . . . 7 GLY HA3 . 11357 1 3 . 1 1 7 7 GLY C C 13 174.401 0.300 . 1 . . . . 7 GLY C . 11357 1 4 . 1 1 7 7 GLY CA C 13 45.584 0.300 . 1 . . . . 7 GLY CA . 11357 1 5 . 1 1 8 8 LYS H H 1 8.108 0.030 . 1 . . . . 8 LYS H . 11357 1 6 . 1 1 8 8 LYS HA H 1 4.293 0.030 . 1 . . . . 8 LYS HA . 11357 1 7 . 1 1 8 8 LYS HB2 H 1 1.766 0.030 . 1 . . . . 8 LYS HB2 . 11357 1 8 . 1 1 8 8 LYS HB3 H 1 1.766 0.030 . 1 . . . . 8 LYS HB3 . 11357 1 9 . 1 1 8 8 LYS HD2 H 1 1.649 0.030 . 1 . . . . 8 LYS HD2 . 11357 1 10 . 1 1 8 8 LYS HD3 H 1 1.649 0.030 . 1 . . . . 8 LYS HD3 . 11357 1 11 . 1 1 8 8 LYS HE2 H 1 2.963 0.030 . 1 . . . . 8 LYS HE2 . 11357 1 12 . 1 1 8 8 LYS HE3 H 1 2.963 0.030 . 1 . . . . 8 LYS HE3 . 11357 1 13 . 1 1 8 8 LYS HG2 H 1 1.405 0.030 . 1 . . . . 8 LYS HG2 . 11357 1 14 . 1 1 8 8 LYS HG3 H 1 1.405 0.030 . 1 . . . . 8 LYS HG3 . 11357 1 15 . 1 1 8 8 LYS C C 13 176.098 0.300 . 1 . . . . 8 LYS C . 11357 1 16 . 1 1 8 8 LYS CA C 13 56.464 0.300 . 1 . . . . 8 LYS CA . 11357 1 17 . 1 1 8 8 LYS CB C 13 32.953 0.300 . 1 . . . . 8 LYS CB . 11357 1 18 . 1 1 8 8 LYS CD C 13 29.023 0.300 . 1 . . . . 8 LYS CD . 11357 1 19 . 1 1 8 8 LYS CE C 13 42.228 0.300 . 1 . . . . 8 LYS CE . 11357 1 20 . 1 1 8 8 LYS CG C 13 24.928 0.300 . 1 . . . . 8 LYS CG . 11357 1 21 . 1 1 8 8 LYS N N 15 120.823 0.300 . 1 . . . . 8 LYS N . 11357 1 22 . 1 1 9 9 ALA H H 1 8.120 0.030 . 1 . . . . 9 ALA H . 11357 1 23 . 1 1 9 9 ALA HA H 1 4.370 0.030 . 1 . . . . 9 ALA HA . 11357 1 24 . 1 1 9 9 ALA HB1 H 1 1.394 0.030 . 1 . . . . 9 ALA HB . 11357 1 25 . 1 1 9 9 ALA HB2 H 1 1.394 0.030 . 1 . . . . 9 ALA HB . 11357 1 26 . 1 1 9 9 ALA HB3 H 1 1.394 0.030 . 1 . . . . 9 ALA HB . 11357 1 27 . 1 1 9 9 ALA C C 13 176.918 0.300 . 1 . . . . 9 ALA C . 11357 1 28 . 1 1 9 9 ALA CA C 13 52.143 0.300 . 1 . . . . 9 ALA CA . 11357 1 29 . 1 1 9 9 ALA CB C 13 19.414 0.300 . 1 . . . . 9 ALA CB . 11357 1 30 . 1 1 9 9 ALA N N 15 123.701 0.300 . 1 . . . . 9 ALA N . 11357 1 31 . 1 1 10 10 LYS H H 1 8.144 0.030 . 1 . . . . 10 LYS H . 11357 1 32 . 1 1 10 10 LYS HA H 1 4.590 0.030 . 1 . . . . 10 LYS HA . 11357 1 33 . 1 1 10 10 LYS HB2 H 1 1.816 0.030 . 2 . . . . 10 LYS HB2 . 11357 1 34 . 1 1 10 10 LYS HB3 H 1 1.750 0.030 . 2 . . . . 10 LYS HB3 . 11357 1 35 . 1 1 10 10 LYS HD2 H 1 1.708 0.030 . 1 . . . . 10 LYS HD2 . 11357 1 36 . 1 1 10 10 LYS HD3 H 1 1.708 0.030 . 1 . . . . 10 LYS HD3 . 11357 1 37 . 1 1 10 10 LYS HE2 H 1 3.012 0.030 . 1 . . . . 10 LYS HE2 . 11357 1 38 . 1 1 10 10 LYS HE3 H 1 3.012 0.030 . 1 . . . . 10 LYS HE3 . 11357 1 39 . 1 1 10 10 LYS HG2 H 1 1.492 0.030 . 2 . . . . 10 LYS HG2 . 11357 1 40 . 1 1 10 10 LYS HG3 H 1 1.436 0.030 . 2 . . . . 10 LYS HG3 . 11357 1 41 . 1 1 10 10 LYS C C 13 174.584 0.300 . 1 . . . . 10 LYS C . 11357 1 42 . 1 1 10 10 LYS CA C 13 54.153 0.300 . 1 . . . . 10 LYS CA . 11357 1 43 . 1 1 10 10 LYS CB C 13 32.686 0.300 . 1 . . . . 10 LYS CB . 11357 1 44 . 1 1 10 10 LYS CD C 13 29.119 0.300 . 1 . . . . 10 LYS CD . 11357 1 45 . 1 1 10 10 LYS CE C 13 42.153 0.300 . 1 . . . . 10 LYS CE . 11357 1 46 . 1 1 10 10 LYS CG C 13 24.607 0.300 . 1 . . . . 10 LYS CG . 11357 1 47 . 1 1 10 10 LYS N N 15 121.383 0.300 . 1 . . . . 10 LYS N . 11357 1 48 . 1 1 11 11 PRO HA H 1 4.488 0.030 . 1 . . . . 11 PRO HA . 11357 1 49 . 1 1 11 11 PRO HB2 H 1 1.775 0.030 . 2 . . . . 11 PRO HB2 . 11357 1 50 . 1 1 11 11 PRO HB3 H 1 2.076 0.030 . 2 . . . . 11 PRO HB3 . 11357 1 51 . 1 1 11 11 PRO HD2 H 1 3.921 0.030 . 2 . . . . 11 PRO HD2 . 11357 1 52 . 1 1 11 11 PRO HD3 H 1 3.603 0.030 . 2 . . . . 11 PRO HD3 . 11357 1 53 . 1 1 11 11 PRO HG2 H 1 2.027 0.030 . 2 . . . . 11 PRO HG2 . 11357 1 54 . 1 1 11 11 PRO HG3 H 1 1.808 0.030 . 2 . . . . 11 PRO HG3 . 11357 1 55 . 1 1 11 11 PRO C C 13 177.407 0.300 . 1 . . . . 11 PRO C . 11357 1 56 . 1 1 11 11 PRO CA C 13 63.217 0.300 . 1 . . . . 11 PRO CA . 11357 1 57 . 1 1 11 11 PRO CB C 13 32.589 0.300 . 1 . . . . 11 PRO CB . 11357 1 58 . 1 1 11 11 PRO CD C 13 50.896 0.300 . 1 . . . . 11 PRO CD . 11357 1 59 . 1 1 11 11 PRO CG C 13 27.738 0.300 . 1 . . . . 11 PRO CG . 11357 1 60 . 1 1 12 12 VAL H H 1 8.924 0.030 . 1 . . . . 12 VAL H . 11357 1 61 . 1 1 12 12 VAL HA H 1 4.320 0.030 . 1 . . . . 12 VAL HA . 11357 1 62 . 1 1 12 12 VAL HB H 1 2.034 0.030 . 1 . . . . 12 VAL HB . 11357 1 63 . 1 1 12 12 VAL HG11 H 1 0.850 0.030 . 1 . . . . 12 VAL HG1 . 11357 1 64 . 1 1 12 12 VAL HG12 H 1 0.850 0.030 . 1 . . . . 12 VAL HG1 . 11357 1 65 . 1 1 12 12 VAL HG13 H 1 0.850 0.030 . 1 . . . . 12 VAL HG1 . 11357 1 66 . 1 1 12 12 VAL HG21 H 1 0.661 0.030 . 1 . . . . 12 VAL HG2 . 11357 1 67 . 1 1 12 12 VAL HG22 H 1 0.661 0.030 . 1 . . . . 12 VAL HG2 . 11357 1 68 . 1 1 12 12 VAL HG23 H 1 0.661 0.030 . 1 . . . . 12 VAL HG2 . 11357 1 69 . 1 1 12 12 VAL C C 13 175.497 0.300 . 1 . . . . 12 VAL C . 11357 1 70 . 1 1 12 12 VAL CA C 13 61.783 0.300 . 1 . . . . 12 VAL CA . 11357 1 71 . 1 1 12 12 VAL CB C 13 33.204 0.300 . 1 . . . . 12 VAL CB . 11357 1 72 . 1 1 12 12 VAL CG1 C 13 21.141 0.300 . 2 . . . . 12 VAL CG1 . 11357 1 73 . 1 1 12 12 VAL CG2 C 13 19.615 0.300 . 2 . . . . 12 VAL CG2 . 11357 1 74 . 1 1 12 12 VAL N N 15 117.596 0.300 . 1 . . . . 12 VAL N . 11357 1 75 . 1 1 13 13 ALA H H 1 7.750 0.030 . 1 . . . . 13 ALA H . 11357 1 76 . 1 1 13 13 ALA HA H 1 4.552 0.030 . 1 . . . . 13 ALA HA . 11357 1 77 . 1 1 13 13 ALA HB1 H 1 1.047 0.030 . 1 . . . . 13 ALA HB . 11357 1 78 . 1 1 13 13 ALA HB2 H 1 1.047 0.030 . 1 . . . . 13 ALA HB . 11357 1 79 . 1 1 13 13 ALA HB3 H 1 1.047 0.030 . 1 . . . . 13 ALA HB . 11357 1 80 . 1 1 13 13 ALA C C 13 175.352 0.300 . 1 . . . . 13 ALA C . 11357 1 81 . 1 1 13 13 ALA CA C 13 52.181 0.300 . 1 . . . . 13 ALA CA . 11357 1 82 . 1 1 13 13 ALA CB C 13 21.675 0.300 . 1 . . . . 13 ALA CB . 11357 1 83 . 1 1 13 13 ALA N N 15 122.214 0.300 . 1 . . . . 13 ALA N . 11357 1 84 . 1 1 14 14 THR H H 1 8.409 0.030 . 1 . . . . 14 THR H . 11357 1 85 . 1 1 14 14 THR HA H 1 5.659 0.030 . 1 . . . . 14 THR HA . 11357 1 86 . 1 1 14 14 THR HB H 1 4.028 0.030 . 1 . . . . 14 THR HB . 11357 1 87 . 1 1 14 14 THR HG21 H 1 1.147 0.030 . 1 . . . . 14 THR HG2 . 11357 1 88 . 1 1 14 14 THR HG22 H 1 1.147 0.030 . 1 . . . . 14 THR HG2 . 11357 1 89 . 1 1 14 14 THR HG23 H 1 1.147 0.030 . 1 . . . . 14 THR HG2 . 11357 1 90 . 1 1 14 14 THR C C 13 172.987 0.300 . 1 . . . . 14 THR C . 11357 1 91 . 1 1 14 14 THR CA C 13 60.518 0.300 . 1 . . . . 14 THR CA . 11357 1 92 . 1 1 14 14 THR CB C 13 72.030 0.300 . 1 . . . . 14 THR CB . 11357 1 93 . 1 1 14 14 THR CG2 C 13 20.870 0.300 . 1 . . . . 14 THR CG2 . 11357 1 94 . 1 1 14 14 THR N N 15 113.431 0.300 . 1 . . . . 14 THR N . 11357 1 95 . 1 1 15 15 ALA H H 1 9.383 0.030 . 1 . . . . 15 ALA H . 11357 1 96 . 1 1 15 15 ALA HA H 1 5.211 0.030 . 1 . . . . 15 ALA HA . 11357 1 97 . 1 1 15 15 ALA HB1 H 1 1.605 0.030 . 1 . . . . 15 ALA HB . 11357 1 98 . 1 1 15 15 ALA HB2 H 1 1.605 0.030 . 1 . . . . 15 ALA HB . 11357 1 99 . 1 1 15 15 ALA HB3 H 1 1.605 0.030 . 1 . . . . 15 ALA HB . 11357 1 100 . 1 1 15 15 ALA C C 13 173.876 0.300 . 1 . . . . 15 ALA C . 11357 1 101 . 1 1 15 15 ALA CA C 13 49.636 0.300 . 1 . . . . 15 ALA CA . 11357 1 102 . 1 1 15 15 ALA CB C 13 21.879 0.300 . 1 . . . . 15 ALA CB . 11357 1 103 . 1 1 15 15 ALA N N 15 126.793 0.300 . 1 . . . . 15 ALA N . 11357 1 104 . 1 1 16 16 PRO HA H 1 4.918 0.030 . 1 . . . . 16 PRO HA . 11357 1 105 . 1 1 16 16 PRO HB2 H 1 1.917 0.030 . 2 . . . . 16 PRO HB2 . 11357 1 106 . 1 1 16 16 PRO HB3 H 1 2.344 0.030 . 2 . . . . 16 PRO HB3 . 11357 1 107 . 1 1 16 16 PRO HD2 H 1 3.857 0.030 . 1 . . . . 16 PRO HD2 . 11357 1 108 . 1 1 16 16 PRO HD3 H 1 3.857 0.030 . 1 . . . . 16 PRO HD3 . 11357 1 109 . 1 1 16 16 PRO HG2 H 1 2.120 0.030 . 2 . . . . 16 PRO HG2 . 11357 1 110 . 1 1 16 16 PRO HG3 H 1 2.103 0.030 . 2 . . . . 16 PRO HG3 . 11357 1 111 . 1 1 16 16 PRO C C 13 175.552 0.300 . 1 . . . . 16 PRO C . 11357 1 112 . 1 1 16 16 PRO CA C 13 62.657 0.300 . 1 . . . . 16 PRO CA . 11357 1 113 . 1 1 16 16 PRO CB C 13 32.721 0.300 . 1 . . . . 16 PRO CB . 11357 1 114 . 1 1 16 16 PRO CD C 13 50.910 0.300 . 1 . . . . 16 PRO CD . 11357 1 115 . 1 1 16 16 PRO CG C 13 26.976 0.300 . 1 . . . . 16 PRO CG . 11357 1 116 . 1 1 17 17 ILE H H 1 8.237 0.030 . 1 . . . . 17 ILE H . 11357 1 117 . 1 1 17 17 ILE HA H 1 4.622 0.030 . 1 . . . . 17 ILE HA . 11357 1 118 . 1 1 17 17 ILE HB H 1 2.053 0.030 . 1 . . . . 17 ILE HB . 11357 1 119 . 1 1 17 17 ILE HD11 H 1 0.901 0.030 . 1 . . . . 17 ILE HD1 . 11357 1 120 . 1 1 17 17 ILE HD12 H 1 0.901 0.030 . 1 . . . . 17 ILE HD1 . 11357 1 121 . 1 1 17 17 ILE HD13 H 1 0.901 0.030 . 1 . . . . 17 ILE HD1 . 11357 1 122 . 1 1 17 17 ILE HG12 H 1 1.649 0.030 . 2 . . . . 17 ILE HG12 . 11357 1 123 . 1 1 17 17 ILE HG13 H 1 1.110 0.030 . 2 . . . . 17 ILE HG13 . 11357 1 124 . 1 1 17 17 ILE HG21 H 1 0.794 0.030 . 1 . . . . 17 ILE HG2 . 11357 1 125 . 1 1 17 17 ILE HG22 H 1 0.794 0.030 . 1 . . . . 17 ILE HG2 . 11357 1 126 . 1 1 17 17 ILE HG23 H 1 0.794 0.030 . 1 . . . . 17 ILE HG2 . 11357 1 127 . 1 1 17 17 ILE C C 13 174.550 0.300 . 1 . . . . 17 ILE C . 11357 1 128 . 1 1 17 17 ILE CA C 13 57.914 0.300 . 1 . . . . 17 ILE CA . 11357 1 129 . 1 1 17 17 ILE CB C 13 36.672 0.300 . 1 . . . . 17 ILE CB . 11357 1 130 . 1 1 17 17 ILE CD1 C 13 14.187 0.300 . 1 . . . . 17 ILE CD1 . 11357 1 131 . 1 1 17 17 ILE CG1 C 13 27.110 0.300 . 1 . . . . 17 ILE CG1 . 11357 1 132 . 1 1 17 17 ILE CG2 C 13 18.161 0.300 . 1 . . . . 17 ILE CG2 . 11357 1 133 . 1 1 17 17 ILE N N 15 121.404 0.300 . 1 . . . . 17 ILE N . 11357 1 134 . 1 1 18 18 PRO HA H 1 4.388 0.030 . 1 . . . . 18 PRO HA . 11357 1 135 . 1 1 18 18 PRO HB2 H 1 2.387 0.030 . 1 . . . . 18 PRO HB2 . 11357 1 136 . 1 1 18 18 PRO HB3 H 1 2.387 0.030 . 1 . . . . 18 PRO HB3 . 11357 1 137 . 1 1 18 18 PRO HD2 H 1 3.621 0.030 . 2 . . . . 18 PRO HD2 . 11357 1 138 . 1 1 18 18 PRO HD3 H 1 4.168 0.030 . 2 . . . . 18 PRO HD3 . 11357 1 139 . 1 1 18 18 PRO HG2 H 1 2.149 0.030 . 2 . . . . 18 PRO HG2 . 11357 1 140 . 1 1 18 18 PRO HG3 H 1 1.989 0.030 . 2 . . . . 18 PRO HG3 . 11357 1 141 . 1 1 18 18 PRO CA C 13 64.193 0.300 . 1 . . . . 18 PRO CA . 11357 1 142 . 1 1 18 18 PRO CB C 13 32.432 0.300 . 1 . . . . 18 PRO CB . 11357 1 143 . 1 1 18 18 PRO CD C 13 51.744 0.300 . 1 . . . . 18 PRO CD . 11357 1 144 . 1 1 18 18 PRO CG C 13 27.665 0.300 . 1 . . . . 18 PRO CG . 11357 1 145 . 1 1 19 19 GLY H H 1 8.925 0.030 . 1 . . . . 19 GLY H . 11357 1 146 . 1 1 19 19 GLY HA2 H 1 3.789 0.030 . 2 . . . . 19 GLY HA2 . 11357 1 147 . 1 1 19 19 GLY HA3 H 1 4.260 0.030 . 2 . . . . 19 GLY HA3 . 11357 1 148 . 1 1 19 19 GLY C C 13 173.731 0.300 . 1 . . . . 19 GLY C . 11357 1 149 . 1 1 19 19 GLY CA C 13 45.350 0.300 . 1 . . . . 19 GLY CA . 11357 1 150 . 1 1 19 19 GLY N N 15 110.477 0.300 . 1 . . . . 19 GLY N . 11357 1 151 . 1 1 20 20 THR H H 1 7.992 0.030 . 1 . . . . 20 THR H . 11357 1 152 . 1 1 20 20 THR HA H 1 5.248 0.030 . 1 . . . . 20 THR HA . 11357 1 153 . 1 1 20 20 THR HB H 1 4.585 0.030 . 1 . . . . 20 THR HB . 11357 1 154 . 1 1 20 20 THR HG21 H 1 1.151 0.030 . 1 . . . . 20 THR HG2 . 11357 1 155 . 1 1 20 20 THR HG22 H 1 1.151 0.030 . 1 . . . . 20 THR HG2 . 11357 1 156 . 1 1 20 20 THR HG23 H 1 1.151 0.030 . 1 . . . . 20 THR HG2 . 11357 1 157 . 1 1 20 20 THR C C 13 173.331 0.300 . 1 . . . . 20 THR C . 11357 1 158 . 1 1 20 20 THR CA C 13 59.178 0.300 . 1 . . . . 20 THR CA . 11357 1 159 . 1 1 20 20 THR CB C 13 70.727 0.300 . 1 . . . . 20 THR CB . 11357 1 160 . 1 1 20 20 THR CG2 C 13 21.553 0.300 . 1 . . . . 20 THR CG2 . 11357 1 161 . 1 1 20 20 THR N N 15 111.806 0.300 . 1 . . . . 20 THR N . 11357 1 162 . 1 1 21 21 PRO HA H 1 4.704 0.030 . 1 . . . . 21 PRO HA . 11357 1 163 . 1 1 21 21 PRO HB2 H 1 1.970 0.030 . 2 . . . . 21 PRO HB2 . 11357 1 164 . 1 1 21 21 PRO HB3 H 1 1.849 0.030 . 2 . . . . 21 PRO HB3 . 11357 1 165 . 1 1 21 21 PRO HD2 H 1 3.963 0.030 . 2 . . . . 21 PRO HD2 . 11357 1 166 . 1 1 21 21 PRO HD3 H 1 3.757 0.030 . 2 . . . . 21 PRO HD3 . 11357 1 167 . 1 1 21 21 PRO HG2 H 1 1.886 0.030 . 2 . . . . 21 PRO HG2 . 11357 1 168 . 1 1 21 21 PRO HG3 H 1 1.278 0.030 . 2 . . . . 21 PRO HG3 . 11357 1 169 . 1 1 21 21 PRO C C 13 175.523 0.300 . 1 . . . . 21 PRO C . 11357 1 170 . 1 1 21 21 PRO CA C 13 62.643 0.300 . 1 . . . . 21 PRO CA . 11357 1 171 . 1 1 21 21 PRO CB C 13 31.318 0.300 . 1 . . . . 21 PRO CB . 11357 1 172 . 1 1 21 21 PRO CD C 13 50.569 0.300 . 1 . . . . 21 PRO CD . 11357 1 173 . 1 1 21 21 PRO CG C 13 26.422 0.300 . 1 . . . . 21 PRO CG . 11357 1 174 . 1 1 22 22 TRP H H 1 8.020 0.030 . 1 . . . . 22 TRP H . 11357 1 175 . 1 1 22 22 TRP HA H 1 4.838 0.030 . 1 . . . . 22 TRP HA . 11357 1 176 . 1 1 22 22 TRP HB2 H 1 3.160 0.030 . 2 . . . . 22 TRP HB2 . 11357 1 177 . 1 1 22 22 TRP HB3 H 1 3.109 0.030 . 2 . . . . 22 TRP HB3 . 11357 1 178 . 1 1 22 22 TRP HD1 H 1 7.061 0.030 . 1 . . . . 22 TRP HD1 . 11357 1 179 . 1 1 22 22 TRP HE1 H 1 10.972 0.030 . 1 . . . . 22 TRP HE1 . 11357 1 180 . 1 1 22 22 TRP HE3 H 1 7.500 0.030 . 1 . . . . 22 TRP HE3 . 11357 1 181 . 1 1 22 22 TRP HH2 H 1 7.052 0.030 . 1 . . . . 22 TRP HH2 . 11357 1 182 . 1 1 22 22 TRP HZ2 H 1 7.589 0.030 . 1 . . . . 22 TRP HZ2 . 11357 1 183 . 1 1 22 22 TRP HZ3 H 1 6.911 0.030 . 1 . . . . 22 TRP HZ3 . 11357 1 184 . 1 1 22 22 TRP C C 13 176.327 0.300 . 1 . . . . 22 TRP C . 11357 1 185 . 1 1 22 22 TRP CA C 13 57.604 0.300 . 1 . . . . 22 TRP CA . 11357 1 186 . 1 1 22 22 TRP CB C 13 33.700 0.300 . 1 . . . . 22 TRP CB . 11357 1 187 . 1 1 22 22 TRP CD1 C 13 126.801 0.300 . 1 . . . . 22 TRP CD1 . 11357 1 188 . 1 1 22 22 TRP CE3 C 13 120.387 0.300 . 1 . . . . 22 TRP CE3 . 11357 1 189 . 1 1 22 22 TRP CH2 C 13 124.980 0.300 . 1 . . . . 22 TRP CH2 . 11357 1 190 . 1 1 22 22 TRP CZ2 C 13 114.858 0.300 . 1 . . . . 22 TRP CZ2 . 11357 1 191 . 1 1 22 22 TRP CZ3 C 13 122.465 0.300 . 1 . . . . 22 TRP CZ3 . 11357 1 192 . 1 1 22 22 TRP N N 15 117.320 0.300 . 1 . . . . 22 TRP N . 11357 1 193 . 1 1 22 22 TRP NE1 N 15 131.064 0.300 . 1 . . . . 22 TRP NE1 . 11357 1 194 . 1 1 23 23 CYS H H 1 9.561 0.030 . 1 . . . . 23 CYS H . 11357 1 195 . 1 1 23 23 CYS HA H 1 5.268 0.030 . 1 . . . . 23 CYS HA . 11357 1 196 . 1 1 23 23 CYS HB2 H 1 2.889 0.030 . 2 . . . . 23 CYS HB2 . 11357 1 197 . 1 1 23 23 CYS HB3 H 1 2.797 0.030 . 2 . . . . 23 CYS HB3 . 11357 1 198 . 1 1 23 23 CYS C C 13 173.505 0.300 . 1 . . . . 23 CYS C . 11357 1 199 . 1 1 23 23 CYS CA C 13 56.702 0.300 . 1 . . . . 23 CYS CA . 11357 1 200 . 1 1 23 23 CYS CB C 13 31.388 0.300 . 1 . . . . 23 CYS CB . 11357 1 201 . 1 1 23 23 CYS N N 15 117.829 0.300 . 1 . . . . 23 CYS N . 11357 1 202 . 1 1 24 24 VAL H H 1 8.990 0.030 . 1 . . . . 24 VAL H . 11357 1 203 . 1 1 24 24 VAL HA H 1 3.907 0.030 . 1 . . . . 24 VAL HA . 11357 1 204 . 1 1 24 24 VAL HB H 1 1.449 0.030 . 1 . . . . 24 VAL HB . 11357 1 205 . 1 1 24 24 VAL HG11 H 1 0.642 0.030 . 1 . . . . 24 VAL HG1 . 11357 1 206 . 1 1 24 24 VAL HG12 H 1 0.642 0.030 . 1 . . . . 24 VAL HG1 . 11357 1 207 . 1 1 24 24 VAL HG13 H 1 0.642 0.030 . 1 . . . . 24 VAL HG1 . 11357 1 208 . 1 1 24 24 VAL HG21 H 1 -0.379 0.030 . 1 . . . . 24 VAL HG2 . 11357 1 209 . 1 1 24 24 VAL HG22 H 1 -0.379 0.030 . 1 . . . . 24 VAL HG2 . 11357 1 210 . 1 1 24 24 VAL HG23 H 1 -0.379 0.030 . 1 . . . . 24 VAL HG2 . 11357 1 211 . 1 1 24 24 VAL C C 13 174.059 0.300 . 1 . . . . 24 VAL C . 11357 1 212 . 1 1 24 24 VAL CA C 13 61.737 0.300 . 1 . . . . 24 VAL CA . 11357 1 213 . 1 1 24 24 VAL CB C 13 32.704 0.300 . 1 . . . . 24 VAL CB . 11357 1 214 . 1 1 24 24 VAL CG1 C 13 21.967 0.300 . 2 . . . . 24 VAL CG1 . 11357 1 215 . 1 1 24 24 VAL CG2 C 13 21.566 0.300 . 2 . . . . 24 VAL CG2 . 11357 1 216 . 1 1 24 24 VAL N N 15 122.692 0.300 . 1 . . . . 24 VAL N . 11357 1 217 . 1 1 25 25 VAL H H 1 8.267 0.030 . 1 . . . . 25 VAL H . 11357 1 218 . 1 1 25 25 VAL HA H 1 4.408 0.030 . 1 . . . . 25 VAL HA . 11357 1 219 . 1 1 25 25 VAL HB H 1 -0.100 0.030 . 1 . . . . 25 VAL HB . 11357 1 220 . 1 1 25 25 VAL HG11 H 1 0.487 0.030 . 1 . . . . 25 VAL HG1 . 11357 1 221 . 1 1 25 25 VAL HG12 H 1 0.487 0.030 . 1 . . . . 25 VAL HG1 . 11357 1 222 . 1 1 25 25 VAL HG13 H 1 0.487 0.030 . 1 . . . . 25 VAL HG1 . 11357 1 223 . 1 1 25 25 VAL HG21 H 1 0.300 0.030 . 1 . . . . 25 VAL HG2 . 11357 1 224 . 1 1 25 25 VAL HG22 H 1 0.300 0.030 . 1 . . . . 25 VAL HG2 . 11357 1 225 . 1 1 25 25 VAL HG23 H 1 0.300 0.030 . 1 . . . . 25 VAL HG2 . 11357 1 226 . 1 1 25 25 VAL C C 13 173.538 0.300 . 1 . . . . 25 VAL C . 11357 1 227 . 1 1 25 25 VAL CA C 13 60.806 0.300 . 1 . . . . 25 VAL CA . 11357 1 228 . 1 1 25 25 VAL CB C 13 33.142 0.300 . 1 . . . . 25 VAL CB . 11357 1 229 . 1 1 25 25 VAL CG1 C 13 22.803 0.300 . 2 . . . . 25 VAL CG1 . 11357 1 230 . 1 1 25 25 VAL CG2 C 13 21.439 0.300 . 2 . . . . 25 VAL CG2 . 11357 1 231 . 1 1 25 25 VAL N N 15 127.198 0.300 . 1 . . . . 25 VAL N . 11357 1 232 . 1 1 26 26 TRP H H 1 8.405 0.030 . 1 . . . . 26 TRP H . 11357 1 233 . 1 1 26 26 TRP HA H 1 5.339 0.030 . 1 . . . . 26 TRP HA . 11357 1 234 . 1 1 26 26 TRP HB2 H 1 2.882 0.030 . 2 . . . . 26 TRP HB2 . 11357 1 235 . 1 1 26 26 TRP HB3 H 1 3.259 0.030 . 2 . . . . 26 TRP HB3 . 11357 1 236 . 1 1 26 26 TRP HD1 H 1 7.218 0.030 . 1 . . . . 26 TRP HD1 . 11357 1 237 . 1 1 26 26 TRP HE1 H 1 10.349 0.030 . 1 . . . . 26 TRP HE1 . 11357 1 238 . 1 1 26 26 TRP HE3 H 1 7.349 0.030 . 1 . . . . 26 TRP HE3 . 11357 1 239 . 1 1 26 26 TRP HH2 H 1 6.918 0.030 . 1 . . . . 26 TRP HH2 . 11357 1 240 . 1 1 26 26 TRP HZ2 H 1 7.717 0.030 . 1 . . . . 26 TRP HZ2 . 11357 1 241 . 1 1 26 26 TRP HZ3 H 1 6.740 0.030 . 1 . . . . 26 TRP HZ3 . 11357 1 242 . 1 1 26 26 TRP C C 13 177.585 0.300 . 1 . . . . 26 TRP C . 11357 1 243 . 1 1 26 26 TRP CA C 13 57.820 0.300 . 1 . . . . 26 TRP CA . 11357 1 244 . 1 1 26 26 TRP CB C 13 32.422 0.300 . 1 . . . . 26 TRP CB . 11357 1 245 . 1 1 26 26 TRP CD1 C 13 127.376 0.300 . 1 . . . . 26 TRP CD1 . 11357 1 246 . 1 1 26 26 TRP CE3 C 13 121.576 0.300 . 1 . . . . 26 TRP CE3 . 11357 1 247 . 1 1 26 26 TRP CH2 C 13 123.898 0.300 . 1 . . . . 26 TRP CH2 . 11357 1 248 . 1 1 26 26 TRP CZ2 C 13 114.888 0.300 . 1 . . . . 26 TRP CZ2 . 11357 1 249 . 1 1 26 26 TRP CZ3 C 13 121.266 0.300 . 1 . . . . 26 TRP CZ3 . 11357 1 250 . 1 1 26 26 TRP N N 15 124.209 0.300 . 1 . . . . 26 TRP N . 11357 1 251 . 1 1 26 26 TRP NE1 N 15 129.267 0.300 . 1 . . . . 26 TRP NE1 . 11357 1 252 . 1 1 27 27 THR H H 1 8.978 0.030 . 1 . . . . 27 THR H . 11357 1 253 . 1 1 27 27 THR HA H 1 4.991 0.030 . 1 . . . . 27 THR HA . 11357 1 254 . 1 1 27 27 THR HB H 1 4.665 0.030 . 1 . . . . 27 THR HB . 11357 1 255 . 1 1 27 27 THR HG21 H 1 1.361 0.030 . 1 . . . . 27 THR HG2 . 11357 1 256 . 1 1 27 27 THR HG22 H 1 1.361 0.030 . 1 . . . . 27 THR HG2 . 11357 1 257 . 1 1 27 27 THR HG23 H 1 1.361 0.030 . 1 . . . . 27 THR HG2 . 11357 1 258 . 1 1 27 27 THR C C 13 177.367 0.300 . 1 . . . . 27 THR C . 11357 1 259 . 1 1 27 27 THR CA C 13 60.583 0.300 . 1 . . . . 27 THR CA . 11357 1 260 . 1 1 27 27 THR CB C 13 71.085 0.300 . 1 . . . . 27 THR CB . 11357 1 261 . 1 1 27 27 THR CG2 C 13 22.584 0.300 . 1 . . . . 27 THR CG2 . 11357 1 262 . 1 1 27 27 THR N N 15 112.271 0.300 . 1 . . . . 27 THR N . 11357 1 263 . 1 1 28 28 GLY H H 1 9.008 0.030 . 1 . . . . 28 GLY H . 11357 1 264 . 1 1 28 28 GLY HA2 H 1 4.080 0.030 . 1 . . . . 28 GLY HA2 . 11357 1 265 . 1 1 28 28 GLY HA3 H 1 4.080 0.030 . 1 . . . . 28 GLY HA3 . 11357 1 266 . 1 1 28 28 GLY C C 13 174.047 0.300 . 1 . . . . 28 GLY C . 11357 1 267 . 1 1 28 28 GLY CA C 13 46.936 0.300 . 1 . . . . 28 GLY CA . 11357 1 268 . 1 1 28 28 GLY N N 15 109.202 0.300 . 1 . . . . 28 GLY N . 11357 1 269 . 1 1 29 29 ASP H H 1 8.186 0.030 . 1 . . . . 29 ASP H . 11357 1 270 . 1 1 29 29 ASP HA H 1 4.832 0.030 . 1 . . . . 29 ASP HA . 11357 1 271 . 1 1 29 29 ASP HB2 H 1 2.571 0.030 . 2 . . . . 29 ASP HB2 . 11357 1 272 . 1 1 29 29 ASP HB3 H 1 2.991 0.030 . 2 . . . . 29 ASP HB3 . 11357 1 273 . 1 1 29 29 ASP C C 13 174.819 0.300 . 1 . . . . 29 ASP C . 11357 1 274 . 1 1 29 29 ASP CA C 13 52.815 0.300 . 1 . . . . 29 ASP CA . 11357 1 275 . 1 1 29 29 ASP CB C 13 39.412 0.300 . 1 . . . . 29 ASP CB . 11357 1 276 . 1 1 29 29 ASP N N 15 117.763 0.300 . 1 . . . . 29 ASP N . 11357 1 277 . 1 1 30 30 GLU H H 1 8.049 0.030 . 1 . . . . 30 GLU H . 11357 1 278 . 1 1 30 30 GLU HA H 1 4.151 0.030 . 1 . . . . 30 GLU HA . 11357 1 279 . 1 1 30 30 GLU HB2 H 1 2.350 0.030 . 1 . . . . 30 GLU HB2 . 11357 1 280 . 1 1 30 30 GLU HB3 H 1 2.350 0.030 . 1 . . . . 30 GLU HB3 . 11357 1 281 . 1 1 30 30 GLU HG2 H 1 2.270 0.030 . 2 . . . . 30 GLU HG2 . 11357 1 282 . 1 1 30 30 GLU HG3 H 1 2.221 0.030 . 2 . . . . 30 GLU HG3 . 11357 1 283 . 1 1 30 30 GLU C C 13 175.744 0.300 . 1 . . . . 30 GLU C . 11357 1 284 . 1 1 30 30 GLU CA C 13 57.826 0.300 . 1 . . . . 30 GLU CA . 11357 1 285 . 1 1 30 30 GLU CB C 13 26.616 0.300 . 1 . . . . 30 GLU CB . 11357 1 286 . 1 1 30 30 GLU CG C 13 36.690 0.300 . 1 . . . . 30 GLU CG . 11357 1 287 . 1 1 30 30 GLU N N 15 112.142 0.300 . 1 . . . . 30 GLU N . 11357 1 288 . 1 1 31 31 ARG H H 1 7.766 0.030 . 1 . . . . 31 ARG H . 11357 1 289 . 1 1 31 31 ARG HA H 1 4.777 0.030 . 1 . . . . 31 ARG HA . 11357 1 290 . 1 1 31 31 ARG HB2 H 1 2.108 0.030 . 1 . . . . 31 ARG HB2 . 11357 1 291 . 1 1 31 31 ARG HB3 H 1 2.108 0.030 . 1 . . . . 31 ARG HB3 . 11357 1 292 . 1 1 31 31 ARG HD2 H 1 3.137 0.030 . 2 . . . . 31 ARG HD2 . 11357 1 293 . 1 1 31 31 ARG HD3 H 1 3.079 0.030 . 2 . . . . 31 ARG HD3 . 11357 1 294 . 1 1 31 31 ARG HG2 H 1 1.655 0.030 . 1 . . . . 31 ARG HG2 . 11357 1 295 . 1 1 31 31 ARG HG3 H 1 1.655 0.030 . 1 . . . . 31 ARG HG3 . 11357 1 296 . 1 1 31 31 ARG C C 13 175.136 0.300 . 1 . . . . 31 ARG C . 11357 1 297 . 1 1 31 31 ARG CA C 13 55.375 0.300 . 1 . . . . 31 ARG CA . 11357 1 298 . 1 1 31 31 ARG CB C 13 32.870 0.300 . 1 . . . . 31 ARG CB . 11357 1 299 . 1 1 31 31 ARG CD C 13 43.738 0.300 . 1 . . . . 31 ARG CD . 11357 1 300 . 1 1 31 31 ARG CG C 13 27.385 0.300 . 1 . . . . 31 ARG CG . 11357 1 301 . 1 1 31 31 ARG N N 15 118.455 0.300 . 1 . . . . 31 ARG N . 11357 1 302 . 1 1 32 32 VAL H H 1 8.078 0.030 . 1 . . . . 32 VAL H . 11357 1 303 . 1 1 32 32 VAL HA H 1 5.070 0.030 . 1 . . . . 32 VAL HA . 11357 1 304 . 1 1 32 32 VAL HB H 1 1.423 0.030 . 1 . . . . 32 VAL HB . 11357 1 305 . 1 1 32 32 VAL HG11 H 1 0.320 0.030 . 1 . . . . 32 VAL HG1 . 11357 1 306 . 1 1 32 32 VAL HG12 H 1 0.320 0.030 . 1 . . . . 32 VAL HG1 . 11357 1 307 . 1 1 32 32 VAL HG13 H 1 0.320 0.030 . 1 . . . . 32 VAL HG1 . 11357 1 308 . 1 1 32 32 VAL HG21 H 1 0.151 0.030 . 1 . . . . 32 VAL HG2 . 11357 1 309 . 1 1 32 32 VAL HG22 H 1 0.151 0.030 . 1 . . . . 32 VAL HG2 . 11357 1 310 . 1 1 32 32 VAL HG23 H 1 0.151 0.030 . 1 . . . . 32 VAL HG2 . 11357 1 311 . 1 1 32 32 VAL C C 13 174.675 0.300 . 1 . . . . 32 VAL C . 11357 1 312 . 1 1 32 32 VAL CA C 13 59.615 0.300 . 1 . . . . 32 VAL CA . 11357 1 313 . 1 1 32 32 VAL CB C 13 35.045 0.300 . 1 . . . . 32 VAL CB . 11357 1 314 . 1 1 32 32 VAL CG1 C 13 20.685 0.300 . 2 . . . . 32 VAL CG1 . 11357 1 315 . 1 1 32 32 VAL CG2 C 13 20.535 0.300 . 2 . . . . 32 VAL CG2 . 11357 1 316 . 1 1 32 32 VAL N N 15 118.552 0.300 . 1 . . . . 32 VAL N . 11357 1 317 . 1 1 33 33 PHE H H 1 8.500 0.030 . 1 . . . . 33 PHE H . 11357 1 318 . 1 1 33 33 PHE HA H 1 4.460 0.030 . 1 . . . . 33 PHE HA . 11357 1 319 . 1 1 33 33 PHE HB2 H 1 1.959 0.030 . 2 . . . . 33 PHE HB2 . 11357 1 320 . 1 1 33 33 PHE HB3 H 1 2.331 0.030 . 2 . . . . 33 PHE HB3 . 11357 1 321 . 1 1 33 33 PHE HD1 H 1 6.621 0.030 . 1 . . . . 33 PHE HD1 . 11357 1 322 . 1 1 33 33 PHE HD2 H 1 6.621 0.030 . 1 . . . . 33 PHE HD2 . 11357 1 323 . 1 1 33 33 PHE HE1 H 1 6.844 0.030 . 1 . . . . 33 PHE HE1 . 11357 1 324 . 1 1 33 33 PHE HE2 H 1 6.844 0.030 . 1 . . . . 33 PHE HE2 . 11357 1 325 . 1 1 33 33 PHE C C 13 170.711 0.300 . 1 . . . . 33 PHE C . 11357 1 326 . 1 1 33 33 PHE CA C 13 55.094 0.300 . 1 . . . . 33 PHE CA . 11357 1 327 . 1 1 33 33 PHE CB C 13 39.218 0.300 . 1 . . . . 33 PHE CB . 11357 1 328 . 1 1 33 33 PHE CD1 C 13 132.590 0.300 . 1 . . . . 33 PHE CD1 . 11357 1 329 . 1 1 33 33 PHE CD2 C 13 132.590 0.300 . 1 . . . . 33 PHE CD2 . 11357 1 330 . 1 1 33 33 PHE CE1 C 13 130.220 0.300 . 1 . . . . 33 PHE CE1 . 11357 1 331 . 1 1 33 33 PHE CE2 C 13 130.220 0.300 . 1 . . . . 33 PHE CE2 . 11357 1 332 . 1 1 33 33 PHE N N 15 120.480 0.300 . 1 . . . . 33 PHE N . 11357 1 333 . 1 1 34 34 PHE H H 1 8.729 0.030 . 1 . . . . 34 PHE H . 11357 1 334 . 1 1 34 34 PHE HA H 1 5.207 0.030 . 1 . . . . 34 PHE HA . 11357 1 335 . 1 1 34 34 PHE HB2 H 1 2.772 0.030 . 2 . . . . 34 PHE HB2 . 11357 1 336 . 1 1 34 34 PHE HB3 H 1 2.659 0.030 . 2 . . . . 34 PHE HB3 . 11357 1 337 . 1 1 34 34 PHE HD1 H 1 6.840 0.030 . 1 . . . . 34 PHE HD1 . 11357 1 338 . 1 1 34 34 PHE HD2 H 1 6.840 0.030 . 1 . . . . 34 PHE HD2 . 11357 1 339 . 1 1 34 34 PHE HE1 H 1 6.932 0.030 . 1 . . . . 34 PHE HE1 . 11357 1 340 . 1 1 34 34 PHE HE2 H 1 6.932 0.030 . 1 . . . . 34 PHE HE2 . 11357 1 341 . 1 1 34 34 PHE HZ H 1 6.940 0.030 . 1 . . . . 34 PHE HZ . 11357 1 342 . 1 1 34 34 PHE C C 13 174.773 0.300 . 1 . . . . 34 PHE C . 11357 1 343 . 1 1 34 34 PHE CA C 13 56.629 0.300 . 1 . . . . 34 PHE CA . 11357 1 344 . 1 1 34 34 PHE CB C 13 41.433 0.300 . 1 . . . . 34 PHE CB . 11357 1 345 . 1 1 34 34 PHE CD1 C 13 132.522 0.300 . 1 . . . . 34 PHE CD1 . 11357 1 346 . 1 1 34 34 PHE CD2 C 13 132.522 0.300 . 1 . . . . 34 PHE CD2 . 11357 1 347 . 1 1 34 34 PHE CE1 C 13 130.191 0.300 . 1 . . . . 34 PHE CE1 . 11357 1 348 . 1 1 34 34 PHE CE2 C 13 130.191 0.300 . 1 . . . . 34 PHE CE2 . 11357 1 349 . 1 1 34 34 PHE CZ C 13 128.779 0.300 . 1 . . . . 34 PHE CZ . 11357 1 350 . 1 1 34 34 PHE N N 15 116.640 0.300 . 1 . . . . 34 PHE N . 11357 1 351 . 1 1 35 35 TYR H H 1 9.409 0.030 . 1 . . . . 35 TYR H . 11357 1 352 . 1 1 35 35 TYR HA H 1 5.862 0.030 . 1 . . . . 35 TYR HA . 11357 1 353 . 1 1 35 35 TYR HB2 H 1 2.939 0.030 . 2 . . . . 35 TYR HB2 . 11357 1 354 . 1 1 35 35 TYR HB3 H 1 2.470 0.030 . 2 . . . . 35 TYR HB3 . 11357 1 355 . 1 1 35 35 TYR HD1 H 1 7.033 0.030 . 1 . . . . 35 TYR HD1 . 11357 1 356 . 1 1 35 35 TYR HD2 H 1 7.033 0.030 . 1 . . . . 35 TYR HD2 . 11357 1 357 . 1 1 35 35 TYR HE1 H 1 6.609 0.030 . 1 . . . . 35 TYR HE1 . 11357 1 358 . 1 1 35 35 TYR HE2 H 1 6.609 0.030 . 1 . . . . 35 TYR HE2 . 11357 1 359 . 1 1 35 35 TYR C C 13 172.967 0.300 . 1 . . . . 35 TYR C . 11357 1 360 . 1 1 35 35 TYR CA C 13 55.837 0.300 . 1 . . . . 35 TYR CA . 11357 1 361 . 1 1 35 35 TYR CB C 13 44.246 0.300 . 1 . . . . 35 TYR CB . 11357 1 362 . 1 1 35 35 TYR CD1 C 13 133.107 0.300 . 1 . . . . 35 TYR CD1 . 11357 1 363 . 1 1 35 35 TYR CD2 C 13 133.107 0.300 . 1 . . . . 35 TYR CD2 . 11357 1 364 . 1 1 35 35 TYR CE1 C 13 117.773 0.300 . 1 . . . . 35 TYR CE1 . 11357 1 365 . 1 1 35 35 TYR CE2 C 13 117.773 0.300 . 1 . . . . 35 TYR CE2 . 11357 1 366 . 1 1 35 35 TYR N N 15 123.905 0.300 . 1 . . . . 35 TYR N . 11357 1 367 . 1 1 36 36 ASN H H 1 8.072 0.030 . 1 . . . . 36 ASN H . 11357 1 368 . 1 1 36 36 ASN HA H 1 4.988 0.030 . 1 . . . . 36 ASN HA . 11357 1 369 . 1 1 36 36 ASN HB2 H 1 2.414 0.030 . 2 . . . . 36 ASN HB2 . 11357 1 370 . 1 1 36 36 ASN HB3 H 1 0.268 0.030 . 2 . . . . 36 ASN HB3 . 11357 1 371 . 1 1 36 36 ASN HD21 H 1 6.472 0.030 . 2 . . . . 36 ASN HD21 . 11357 1 372 . 1 1 36 36 ASN HD22 H 1 5.007 0.030 . 2 . . . . 36 ASN HD22 . 11357 1 373 . 1 1 36 36 ASN C C 13 173.527 0.300 . 1 . . . . 36 ASN C . 11357 1 374 . 1 1 36 36 ASN CA C 13 48.131 0.300 . 1 . . . . 36 ASN CA . 11357 1 375 . 1 1 36 36 ASN CB C 13 38.071 0.300 . 1 . . . . 36 ASN CB . 11357 1 376 . 1 1 36 36 ASN N N 15 128.491 0.300 . 1 . . . . 36 ASN N . 11357 1 377 . 1 1 36 36 ASN ND2 N 15 109.735 0.300 . 1 . . . . 36 ASN ND2 . 11357 1 378 . 1 1 37 37 PRO HA H 1 3.821 0.030 . 1 . . . . 37 PRO HA . 11357 1 379 . 1 1 37 37 PRO HB2 H 1 2.368 0.030 . 2 . . . . 37 PRO HB2 . 11357 1 380 . 1 1 37 37 PRO HB3 H 1 1.938 0.030 . 2 . . . . 37 PRO HB3 . 11357 1 381 . 1 1 37 37 PRO HD2 H 1 4.025 0.030 . 2 . . . . 37 PRO HD2 . 11357 1 382 . 1 1 37 37 PRO HD3 H 1 3.610 0.030 . 2 . . . . 37 PRO HD3 . 11357 1 383 . 1 1 37 37 PRO HG2 H 1 1.996 0.030 . 2 . . . . 37 PRO HG2 . 11357 1 384 . 1 1 37 37 PRO HG3 H 1 1.929 0.030 . 2 . . . . 37 PRO HG3 . 11357 1 385 . 1 1 37 37 PRO C C 13 177.550 0.300 . 1 . . . . 37 PRO C . 11357 1 386 . 1 1 37 37 PRO CA C 13 63.895 0.300 . 1 . . . . 37 PRO CA . 11357 1 387 . 1 1 37 37 PRO CB C 13 32.395 0.300 . 1 . . . . 37 PRO CB . 11357 1 388 . 1 1 37 37 PRO CD C 13 50.985 0.300 . 1 . . . . 37 PRO CD . 11357 1 389 . 1 1 37 37 PRO CG C 13 26.992 0.300 . 1 . . . . 37 PRO CG . 11357 1 390 . 1 1 38 38 THR H H 1 8.153 0.030 . 1 . . . . 38 THR H . 11357 1 391 . 1 1 38 38 THR HA H 1 3.979 0.030 . 1 . . . . 38 THR HA . 11357 1 392 . 1 1 38 38 THR HB H 1 4.270 0.030 . 1 . . . . 38 THR HB . 11357 1 393 . 1 1 38 38 THR HG21 H 1 1.140 0.030 . 1 . . . . 38 THR HG2 . 11357 1 394 . 1 1 38 38 THR HG22 H 1 1.140 0.030 . 1 . . . . 38 THR HG2 . 11357 1 395 . 1 1 38 38 THR HG23 H 1 1.140 0.030 . 1 . . . . 38 THR HG2 . 11357 1 396 . 1 1 38 38 THR C C 13 175.753 0.300 . 1 . . . . 38 THR C . 11357 1 397 . 1 1 38 38 THR CA C 13 65.925 0.300 . 1 . . . . 38 THR CA . 11357 1 398 . 1 1 38 38 THR CB C 13 68.203 0.300 . 1 . . . . 38 THR CB . 11357 1 399 . 1 1 38 38 THR CG2 C 13 21.550 0.300 . 1 . . . . 38 THR CG2 . 11357 1 400 . 1 1 38 38 THR N N 15 113.794 0.300 . 1 . . . . 38 THR N . 11357 1 401 . 1 1 39 39 THR H H 1 6.910 0.030 . 1 . . . . 39 THR H . 11357 1 402 . 1 1 39 39 THR HA H 1 4.140 0.030 . 1 . . . . 39 THR HA . 11357 1 403 . 1 1 39 39 THR HB H 1 4.231 0.030 . 1 . . . . 39 THR HB . 11357 1 404 . 1 1 39 39 THR HG21 H 1 0.998 0.030 . 1 . . . . 39 THR HG2 . 11357 1 405 . 1 1 39 39 THR HG22 H 1 0.998 0.030 . 1 . . . . 39 THR HG2 . 11357 1 406 . 1 1 39 39 THR HG23 H 1 0.998 0.030 . 1 . . . . 39 THR HG2 . 11357 1 407 . 1 1 39 39 THR C C 13 174.940 0.300 . 1 . . . . 39 THR C . 11357 1 408 . 1 1 39 39 THR CA C 13 61.369 0.300 . 1 . . . . 39 THR CA . 11357 1 409 . 1 1 39 39 THR CB C 13 69.384 0.300 . 1 . . . . 39 THR CB . 11357 1 410 . 1 1 39 39 THR CG2 C 13 21.858 0.300 . 1 . . . . 39 THR CG2 . 11357 1 411 . 1 1 39 39 THR N N 15 109.876 0.300 . 1 . . . . 39 THR N . 11357 1 412 . 1 1 40 40 ARG H H 1 8.276 0.030 . 1 . . . . 40 ARG H . 11357 1 413 . 1 1 40 40 ARG HA H 1 3.601 0.030 . 1 . . . . 40 ARG HA . 11357 1 414 . 1 1 40 40 ARG HB2 H 1 2.161 0.030 . 2 . . . . 40 ARG HB2 . 11357 1 415 . 1 1 40 40 ARG HB3 H 1 2.110 0.030 . 2 . . . . 40 ARG HB3 . 11357 1 416 . 1 1 40 40 ARG HD2 H 1 3.209 0.030 . 1 . . . . 40 ARG HD2 . 11357 1 417 . 1 1 40 40 ARG HD3 H 1 3.209 0.030 . 1 . . . . 40 ARG HD3 . 11357 1 418 . 1 1 40 40 ARG HG2 H 1 1.531 0.030 . 2 . . . . 40 ARG HG2 . 11357 1 419 . 1 1 40 40 ARG HG3 H 1 1.478 0.030 . 2 . . . . 40 ARG HG3 . 11357 1 420 . 1 1 40 40 ARG C C 13 174.733 0.300 . 1 . . . . 40 ARG C . 11357 1 421 . 1 1 40 40 ARG CA C 13 57.712 0.300 . 1 . . . . 40 ARG CA . 11357 1 422 . 1 1 40 40 ARG CB C 13 26.359 0.300 . 1 . . . . 40 ARG CB . 11357 1 423 . 1 1 40 40 ARG CD C 13 43.663 0.300 . 1 . . . . 40 ARG CD . 11357 1 424 . 1 1 40 40 ARG CG C 13 27.852 0.300 . 1 . . . . 40 ARG CG . 11357 1 425 . 1 1 40 40 ARG N N 15 117.159 0.300 . 1 . . . . 40 ARG N . 11357 1 426 . 1 1 41 41 LEU H H 1 7.110 0.030 . 1 . . . . 41 LEU H . 11357 1 427 . 1 1 41 41 LEU HA H 1 4.652 0.030 . 1 . . . . 41 LEU HA . 11357 1 428 . 1 1 41 41 LEU HB2 H 1 1.555 0.030 . 2 . . . . 41 LEU HB2 . 11357 1 429 . 1 1 41 41 LEU HB3 H 1 1.512 0.030 . 2 . . . . 41 LEU HB3 . 11357 1 430 . 1 1 41 41 LEU HD11 H 1 1.040 0.030 . 1 . . . . 41 LEU HD1 . 11357 1 431 . 1 1 41 41 LEU HD12 H 1 1.040 0.030 . 1 . . . . 41 LEU HD1 . 11357 1 432 . 1 1 41 41 LEU HD13 H 1 1.040 0.030 . 1 . . . . 41 LEU HD1 . 11357 1 433 . 1 1 41 41 LEU HD21 H 1 1.035 0.030 . 1 . . . . 41 LEU HD2 . 11357 1 434 . 1 1 41 41 LEU HD22 H 1 1.035 0.030 . 1 . . . . 41 LEU HD2 . 11357 1 435 . 1 1 41 41 LEU HD23 H 1 1.035 0.030 . 1 . . . . 41 LEU HD2 . 11357 1 436 . 1 1 41 41 LEU HG H 1 1.599 0.030 . 1 . . . . 41 LEU HG . 11357 1 437 . 1 1 41 41 LEU C C 13 175.259 0.300 . 1 . . . . 41 LEU C . 11357 1 438 . 1 1 41 41 LEU CA C 13 54.855 0.300 . 1 . . . . 41 LEU CA . 11357 1 439 . 1 1 41 41 LEU CB C 13 44.321 0.300 . 1 . . . . 41 LEU CB . 11357 1 440 . 1 1 41 41 LEU CD1 C 13 24.939 0.300 . 2 . . . . 41 LEU CD1 . 11357 1 441 . 1 1 41 41 LEU CD2 C 13 24.295 0.300 . 2 . . . . 41 LEU CD2 . 11357 1 442 . 1 1 41 41 LEU CG C 13 27.067 0.300 . 1 . . . . 41 LEU CG . 11357 1 443 . 1 1 41 41 LEU N N 15 121.057 0.300 . 1 . . . . 41 LEU N . 11357 1 444 . 1 1 42 42 SER H H 1 8.379 0.030 . 1 . . . . 42 SER H . 11357 1 445 . 1 1 42 42 SER HA H 1 5.969 0.030 . 1 . . . . 42 SER HA . 11357 1 446 . 1 1 42 42 SER HB2 H 1 3.709 0.030 . 2 . . . . 42 SER HB2 . 11357 1 447 . 1 1 42 42 SER HB3 H 1 3.650 0.030 . 2 . . . . 42 SER HB3 . 11357 1 448 . 1 1 42 42 SER C C 13 173.841 0.300 . 1 . . . . 42 SER C . 11357 1 449 . 1 1 42 42 SER CA C 13 56.879 0.300 . 1 . . . . 42 SER CA . 11357 1 450 . 1 1 42 42 SER CB C 13 65.942 0.300 . 1 . . . . 42 SER CB . 11357 1 451 . 1 1 42 42 SER N N 15 117.489 0.300 . 1 . . . . 42 SER N . 11357 1 452 . 1 1 43 43 MET H H 1 9.587 0.030 . 1 . . . . 43 MET H . 11357 1 453 . 1 1 43 43 MET HA H 1 4.830 0.030 . 1 . . . . 43 MET HA . 11357 1 454 . 1 1 43 43 MET HB2 H 1 1.980 0.030 . 2 . . . . 43 MET HB2 . 11357 1 455 . 1 1 43 43 MET HB3 H 1 2.511 0.030 . 2 . . . . 43 MET HB3 . 11357 1 456 . 1 1 43 43 MET HE1 H 1 2.036 0.030 . 1 . . . . 43 MET HE . 11357 1 457 . 1 1 43 43 MET HE2 H 1 2.036 0.030 . 1 . . . . 43 MET HE . 11357 1 458 . 1 1 43 43 MET HE3 H 1 2.036 0.030 . 1 . . . . 43 MET HE . 11357 1 459 . 1 1 43 43 MET HG2 H 1 2.750 0.030 . 2 . . . . 43 MET HG2 . 11357 1 460 . 1 1 43 43 MET HG3 H 1 2.552 0.030 . 2 . . . . 43 MET HG3 . 11357 1 461 . 1 1 43 43 MET C C 13 174.665 0.300 . 1 . . . . 43 MET C . 11357 1 462 . 1 1 43 43 MET CA C 13 55.341 0.300 . 1 . . . . 43 MET CA . 11357 1 463 . 1 1 43 43 MET CB C 13 37.037 0.300 . 1 . . . . 43 MET CB . 11357 1 464 . 1 1 43 43 MET CE C 13 16.519 0.300 . 1 . . . . 43 MET CE . 11357 1 465 . 1 1 43 43 MET CG C 13 31.300 0.300 . 1 . . . . 43 MET CG . 11357 1 466 . 1 1 43 43 MET N N 15 120.993 0.300 . 1 . . . . 43 MET N . 11357 1 467 . 1 1 44 44 TRP H H 1 8.756 0.030 . 1 . . . . 44 TRP H . 11357 1 468 . 1 1 44 44 TRP HA H 1 4.699 0.030 . 1 . . . . 44 TRP HA . 11357 1 469 . 1 1 44 44 TRP HB2 H 1 3.583 0.030 . 2 . . . . 44 TRP HB2 . 11357 1 470 . 1 1 44 44 TRP HB3 H 1 3.080 0.030 . 2 . . . . 44 TRP HB3 . 11357 1 471 . 1 1 44 44 TRP HD1 H 1 7.318 0.030 . 1 . . . . 44 TRP HD1 . 11357 1 472 . 1 1 44 44 TRP HE1 H 1 9.872 0.030 . 1 . . . . 44 TRP HE1 . 11357 1 473 . 1 1 44 44 TRP HE3 H 1 7.912 0.030 . 1 . . . . 44 TRP HE3 . 11357 1 474 . 1 1 44 44 TRP HH2 H 1 6.949 0.030 . 1 . . . . 44 TRP HH2 . 11357 1 475 . 1 1 44 44 TRP HZ2 H 1 7.106 0.030 . 1 . . . . 44 TRP HZ2 . 11357 1 476 . 1 1 44 44 TRP HZ3 H 1 6.931 0.030 . 1 . . . . 44 TRP HZ3 . 11357 1 477 . 1 1 44 44 TRP C C 13 176.775 0.300 . 1 . . . . 44 TRP C . 11357 1 478 . 1 1 44 44 TRP CA C 13 59.168 0.300 . 1 . . . . 44 TRP CA . 11357 1 479 . 1 1 44 44 TRP CB C 13 30.002 0.300 . 1 . . . . 44 TRP CB . 11357 1 480 . 1 1 44 44 TRP CD1 C 13 127.384 0.300 . 1 . . . . 44 TRP CD1 . 11357 1 481 . 1 1 44 44 TRP CE3 C 13 121.473 0.300 . 1 . . . . 44 TRP CE3 . 11357 1 482 . 1 1 44 44 TRP CH2 C 13 124.110 0.300 . 1 . . . . 44 TRP CH2 . 11357 1 483 . 1 1 44 44 TRP CZ2 C 13 114.245 0.300 . 1 . . . . 44 TRP CZ2 . 11357 1 484 . 1 1 44 44 TRP CZ3 C 13 122.225 0.300 . 1 . . . . 44 TRP CZ3 . 11357 1 485 . 1 1 44 44 TRP N N 15 122.459 0.300 . 1 . . . . 44 TRP N . 11357 1 486 . 1 1 44 44 TRP NE1 N 15 128.524 0.300 . 1 . . . . 44 TRP NE1 . 11357 1 487 . 1 1 45 45 ASP H H 1 7.665 0.030 . 1 . . . . 45 ASP H . 11357 1 488 . 1 1 45 45 ASP HA H 1 4.817 0.030 . 1 . . . . 45 ASP HA . 11357 1 489 . 1 1 45 45 ASP HB2 H 1 2.380 0.030 . 2 . . . . 45 ASP HB2 . 11357 1 490 . 1 1 45 45 ASP HB3 H 1 2.642 0.030 . 2 . . . . 45 ASP HB3 . 11357 1 491 . 1 1 45 45 ASP C C 13 173.747 0.300 . 1 . . . . 45 ASP C . 11357 1 492 . 1 1 45 45 ASP CA C 13 52.866 0.300 . 1 . . . . 45 ASP CA . 11357 1 493 . 1 1 45 45 ASP CB C 13 42.301 0.300 . 1 . . . . 45 ASP CB . 11357 1 494 . 1 1 45 45 ASP N N 15 118.147 0.300 . 1 . . . . 45 ASP N . 11357 1 495 . 1 1 46 46 ARG H H 1 8.079 0.030 . 1 . . . . 46 ARG H . 11357 1 496 . 1 1 46 46 ARG HA H 1 3.078 0.030 . 1 . . . . 46 ARG HA . 11357 1 497 . 1 1 46 46 ARG HB2 H 1 1.502 0.030 . 2 . . . . 46 ARG HB2 . 11357 1 498 . 1 1 46 46 ARG HB3 H 1 1.310 0.030 . 2 . . . . 46 ARG HB3 . 11357 1 499 . 1 1 46 46 ARG HD2 H 1 2.781 0.030 . 2 . . . . 46 ARG HD2 . 11357 1 500 . 1 1 46 46 ARG HD3 H 1 2.616 0.030 . 2 . . . . 46 ARG HD3 . 11357 1 501 . 1 1 46 46 ARG HG2 H 1 0.872 0.030 . 2 . . . . 46 ARG HG2 . 11357 1 502 . 1 1 46 46 ARG HG3 H 1 1.228 0.030 . 2 . . . . 46 ARG HG3 . 11357 1 503 . 1 1 46 46 ARG C C 13 174.404 0.300 . 1 . . . . 46 ARG C . 11357 1 504 . 1 1 46 46 ARG CA C 13 53.906 0.300 . 1 . . . . 46 ARG CA . 11357 1 505 . 1 1 46 46 ARG CB C 13 30.075 0.300 . 1 . . . . 46 ARG CB . 11357 1 506 . 1 1 46 46 ARG CD C 13 43.156 0.300 . 1 . . . . 46 ARG CD . 11357 1 507 . 1 1 46 46 ARG CG C 13 26.500 0.300 . 1 . . . . 46 ARG CG . 11357 1 508 . 1 1 46 46 ARG N N 15 118.654 0.300 . 1 . . . . 46 ARG N . 11357 1 509 . 1 1 47 47 PRO HA H 1 3.968 0.030 . 1 . . . . 47 PRO HA . 11357 1 510 . 1 1 47 47 PRO HB2 H 1 1.010 0.030 . 2 . . . . 47 PRO HB2 . 11357 1 511 . 1 1 47 47 PRO HB3 H 1 1.790 0.030 . 2 . . . . 47 PRO HB3 . 11357 1 512 . 1 1 47 47 PRO HD2 H 1 2.866 0.030 . 2 . . . . 47 PRO HD2 . 11357 1 513 . 1 1 47 47 PRO HD3 H 1 1.799 0.030 . 2 . . . . 47 PRO HD3 . 11357 1 514 . 1 1 47 47 PRO HG2 H 1 0.290 0.030 . 2 . . . . 47 PRO HG2 . 11357 1 515 . 1 1 47 47 PRO HG3 H 1 -0.340 0.030 . 2 . . . . 47 PRO HG3 . 11357 1 516 . 1 1 47 47 PRO C C 13 177.429 0.300 . 1 . . . . 47 PRO C . 11357 1 517 . 1 1 47 47 PRO CA C 13 62.310 0.300 . 1 . . . . 47 PRO CA . 11357 1 518 . 1 1 47 47 PRO CB C 13 32.620 0.300 . 1 . . . . 47 PRO CB . 11357 1 519 . 1 1 47 47 PRO CD C 13 50.527 0.300 . 1 . . . . 47 PRO CD . 11357 1 520 . 1 1 47 47 PRO CG C 13 25.216 0.300 . 1 . . . . 47 PRO CG . 11357 1 521 . 1 1 48 48 ASP H H 1 8.577 0.030 . 1 . . . . 48 ASP H . 11357 1 522 . 1 1 48 48 ASP HA H 1 4.140 0.030 . 1 . . . . 48 ASP HA . 11357 1 523 . 1 1 48 48 ASP HB2 H 1 2.599 0.030 . 1 . . . . 48 ASP HB2 . 11357 1 524 . 1 1 48 48 ASP HB3 H 1 2.599 0.030 . 1 . . . . 48 ASP HB3 . 11357 1 525 . 1 1 48 48 ASP C C 13 178.187 0.300 . 1 . . . . 48 ASP C . 11357 1 526 . 1 1 48 48 ASP CA C 13 57.476 0.300 . 1 . . . . 48 ASP CA . 11357 1 527 . 1 1 48 48 ASP CB C 13 40.535 0.300 . 1 . . . . 48 ASP CB . 11357 1 528 . 1 1 48 48 ASP N N 15 122.843 0.300 . 1 . . . . 48 ASP N . 11357 1 529 . 1 1 49 49 ASP H H 1 8.882 0.030 . 1 . . . . 49 ASP H . 11357 1 530 . 1 1 49 49 ASP HA H 1 4.410 0.030 . 1 . . . . 49 ASP HA . 11357 1 531 . 1 1 49 49 ASP HB2 H 1 2.491 0.030 . 2 . . . . 49 ASP HB2 . 11357 1 532 . 1 1 49 49 ASP HB3 H 1 2.761 0.030 . 2 . . . . 49 ASP HB3 . 11357 1 533 . 1 1 49 49 ASP C C 13 176.431 0.300 . 1 . . . . 49 ASP C . 11357 1 534 . 1 1 49 49 ASP CA C 13 55.505 0.300 . 1 . . . . 49 ASP CA . 11357 1 535 . 1 1 49 49 ASP CB C 13 39.858 0.300 . 1 . . . . 49 ASP CB . 11357 1 536 . 1 1 49 49 ASP N N 15 114.209 0.300 . 1 . . . . 49 ASP N . 11357 1 537 . 1 1 50 50 LEU H H 1 7.770 0.030 . 1 . . . . 50 LEU H . 11357 1 538 . 1 1 50 50 LEU HA H 1 4.362 0.030 . 1 . . . . 50 LEU HA . 11357 1 539 . 1 1 50 50 LEU HB2 H 1 1.177 0.030 . 2 . . . . 50 LEU HB2 . 11357 1 540 . 1 1 50 50 LEU HB3 H 1 1.432 0.030 . 2 . . . . 50 LEU HB3 . 11357 1 541 . 1 1 50 50 LEU HD11 H 1 0.305 0.030 . 1 . . . . 50 LEU HD1 . 11357 1 542 . 1 1 50 50 LEU HD12 H 1 0.305 0.030 . 1 . . . . 50 LEU HD1 . 11357 1 543 . 1 1 50 50 LEU HD13 H 1 0.305 0.030 . 1 . . . . 50 LEU HD1 . 11357 1 544 . 1 1 50 50 LEU HD21 H 1 0.779 0.030 . 1 . . . . 50 LEU HD2 . 11357 1 545 . 1 1 50 50 LEU HD22 H 1 0.779 0.030 . 1 . . . . 50 LEU HD2 . 11357 1 546 . 1 1 50 50 LEU HD23 H 1 0.779 0.030 . 1 . . . . 50 LEU HD2 . 11357 1 547 . 1 1 50 50 LEU HG H 1 0.989 0.030 . 1 . . . . 50 LEU HG . 11357 1 548 . 1 1 50 50 LEU C C 13 177.555 0.300 . 1 . . . . 50 LEU C . 11357 1 549 . 1 1 50 50 LEU CA C 13 53.256 0.300 . 1 . . . . 50 LEU CA . 11357 1 550 . 1 1 50 50 LEU CB C 13 42.109 0.300 . 1 . . . . 50 LEU CB . 11357 1 551 . 1 1 50 50 LEU CD1 C 13 25.794 0.300 . 2 . . . . 50 LEU CD1 . 11357 1 552 . 1 1 50 50 LEU CD2 C 13 22.804 0.300 . 2 . . . . 50 LEU CD2 . 11357 1 553 . 1 1 50 50 LEU CG C 13 26.932 0.300 . 1 . . . . 50 LEU CG . 11357 1 554 . 1 1 50 50 LEU N N 15 114.479 0.300 . 1 . . . . 50 LEU N . 11357 1 555 . 1 1 51 51 ILE H H 1 7.249 0.030 . 1 . . . . 51 ILE H . 11357 1 556 . 1 1 51 51 ILE HA H 1 3.606 0.030 . 1 . . . . 51 ILE HA . 11357 1 557 . 1 1 51 51 ILE HB H 1 1.810 0.030 . 1 . . . . 51 ILE HB . 11357 1 558 . 1 1 51 51 ILE HD11 H 1 0.819 0.030 . 1 . . . . 51 ILE HD1 . 11357 1 559 . 1 1 51 51 ILE HD12 H 1 0.819 0.030 . 1 . . . . 51 ILE HD1 . 11357 1 560 . 1 1 51 51 ILE HD13 H 1 0.819 0.030 . 1 . . . . 51 ILE HD1 . 11357 1 561 . 1 1 51 51 ILE HG12 H 1 1.582 0.030 . 2 . . . . 51 ILE HG12 . 11357 1 562 . 1 1 51 51 ILE HG13 H 1 1.018 0.030 . 2 . . . . 51 ILE HG13 . 11357 1 563 . 1 1 51 51 ILE HG21 H 1 0.843 0.030 . 1 . . . . 51 ILE HG2 . 11357 1 564 . 1 1 51 51 ILE HG22 H 1 0.843 0.030 . 1 . . . . 51 ILE HG2 . 11357 1 565 . 1 1 51 51 ILE HG23 H 1 0.843 0.030 . 1 . . . . 51 ILE HG2 . 11357 1 566 . 1 1 51 51 ILE C C 13 177.202 0.300 . 1 . . . . 51 ILE C . 11357 1 567 . 1 1 51 51 ILE CA C 13 63.606 0.300 . 1 . . . . 51 ILE CA . 11357 1 568 . 1 1 51 51 ILE CB C 13 37.496 0.300 . 1 . . . . 51 ILE CB . 11357 1 569 . 1 1 51 51 ILE CD1 C 13 12.743 0.300 . 1 . . . . 51 ILE CD1 . 11357 1 570 . 1 1 51 51 ILE CG1 C 13 28.297 0.300 . 1 . . . . 51 ILE CG1 . 11357 1 571 . 1 1 51 51 ILE CG2 C 13 16.677 0.300 . 1 . . . . 51 ILE CG2 . 11357 1 572 . 1 1 51 51 ILE N N 15 125.073 0.300 . 1 . . . . 51 ILE N . 11357 1 573 . 1 1 52 52 GLY H H 1 9.098 0.030 . 1 . . . . 52 GLY H . 11357 1 574 . 1 1 52 52 GLY HA2 H 1 4.079 0.030 . 2 . . . . 52 GLY HA2 . 11357 1 575 . 1 1 52 52 GLY HA3 H 1 3.769 0.030 . 2 . . . . 52 GLY HA3 . 11357 1 576 . 1 1 52 52 GLY C C 13 174.558 0.300 . 1 . . . . 52 GLY C . 11357 1 577 . 1 1 52 52 GLY CA C 13 45.323 0.300 . 1 . . . . 52 GLY CA . 11357 1 578 . 1 1 52 52 GLY N N 15 115.358 0.300 . 1 . . . . 52 GLY N . 11357 1 579 . 1 1 53 53 ARG H H 1 6.999 0.030 . 1 . . . . 53 ARG H . 11357 1 580 . 1 1 53 53 ARG HA H 1 4.413 0.030 . 1 . . . . 53 ARG HA . 11357 1 581 . 1 1 53 53 ARG HB2 H 1 2.291 0.030 . 2 . . . . 53 ARG HB2 . 11357 1 582 . 1 1 53 53 ARG HB3 H 1 1.770 0.030 . 2 . . . . 53 ARG HB3 . 11357 1 583 . 1 1 53 53 ARG HD2 H 1 3.369 0.030 . 2 . . . . 53 ARG HD2 . 11357 1 584 . 1 1 53 53 ARG HD3 H 1 3.130 0.030 . 2 . . . . 53 ARG HD3 . 11357 1 585 . 1 1 53 53 ARG HE H 1 8.904 0.030 . 1 . . . . 53 ARG HE . 11357 1 586 . 1 1 53 53 ARG HG2 H 1 1.550 0.030 . 1 . . . . 53 ARG HG2 . 11357 1 587 . 1 1 53 53 ARG HG3 H 1 1.550 0.030 . 1 . . . . 53 ARG HG3 . 11357 1 588 . 1 1 53 53 ARG C C 13 176.432 0.300 . 1 . . . . 53 ARG C . 11357 1 589 . 1 1 53 53 ARG CA C 13 54.986 0.300 . 1 . . . . 53 ARG CA . 11357 1 590 . 1 1 53 53 ARG CB C 13 29.997 0.300 . 1 . . . . 53 ARG CB . 11357 1 591 . 1 1 53 53 ARG CD C 13 42.815 0.300 . 1 . . . . 53 ARG CD . 11357 1 592 . 1 1 53 53 ARG CG C 13 27.951 0.300 . 1 . . . . 53 ARG CG . 11357 1 593 . 1 1 53 53 ARG N N 15 118.720 0.300 . 1 . . . . 53 ARG N . 11357 1 594 . 1 1 53 53 ARG NE N 15 83.564 0.300 . 1 . . . . 53 ARG NE . 11357 1 595 . 1 1 54 54 ALA H H 1 8.925 0.030 . 1 . . . . 54 ALA H . 11357 1 596 . 1 1 54 54 ALA HA H 1 4.289 0.030 . 1 . . . . 54 ALA HA . 11357 1 597 . 1 1 54 54 ALA HB1 H 1 1.510 0.030 . 1 . . . . 54 ALA HB . 11357 1 598 . 1 1 54 54 ALA HB2 H 1 1.510 0.030 . 1 . . . . 54 ALA HB . 11357 1 599 . 1 1 54 54 ALA HB3 H 1 1.510 0.030 . 1 . . . . 54 ALA HB . 11357 1 600 . 1 1 54 54 ALA C C 13 179.322 0.300 . 1 . . . . 54 ALA C . 11357 1 601 . 1 1 54 54 ALA CA C 13 54.399 0.300 . 1 . . . . 54 ALA CA . 11357 1 602 . 1 1 54 54 ALA CB C 13 18.667 0.300 . 1 . . . . 54 ALA CB . 11357 1 603 . 1 1 54 54 ALA N N 15 130.621 0.300 . 1 . . . . 54 ALA N . 11357 1 604 . 1 1 55 55 ASP H H 1 9.123 0.030 . 1 . . . . 55 ASP H . 11357 1 605 . 1 1 55 55 ASP HA H 1 4.330 0.030 . 1 . . . . 55 ASP HA . 11357 1 606 . 1 1 55 55 ASP HB2 H 1 2.843 0.030 . 2 . . . . 55 ASP HB2 . 11357 1 607 . 1 1 55 55 ASP HB3 H 1 2.710 0.030 . 2 . . . . 55 ASP HB3 . 11357 1 608 . 1 1 55 55 ASP C C 13 178.632 0.300 . 1 . . . . 55 ASP C . 11357 1 609 . 1 1 55 55 ASP CA C 13 55.934 0.300 . 1 . . . . 55 ASP CA . 11357 1 610 . 1 1 55 55 ASP CB C 13 38.135 0.300 . 1 . . . . 55 ASP CB . 11357 1 611 . 1 1 55 55 ASP N N 15 116.306 0.300 . 1 . . . . 55 ASP N . 11357 1 612 . 1 1 56 56 VAL H H 1 7.437 0.030 . 1 . . . . 56 VAL H . 11357 1 613 . 1 1 56 56 VAL HA H 1 3.586 0.030 . 1 . . . . 56 VAL HA . 11357 1 614 . 1 1 56 56 VAL HB H 1 2.251 0.030 . 1 . . . . 56 VAL HB . 11357 1 615 . 1 1 56 56 VAL HG11 H 1 1.090 0.030 . 1 . . . . 56 VAL HG1 . 11357 1 616 . 1 1 56 56 VAL HG12 H 1 1.090 0.030 . 1 . . . . 56 VAL HG1 . 11357 1 617 . 1 1 56 56 VAL HG13 H 1 1.090 0.030 . 1 . . . . 56 VAL HG1 . 11357 1 618 . 1 1 56 56 VAL HG21 H 1 0.929 0.030 . 1 . . . . 56 VAL HG2 . 11357 1 619 . 1 1 56 56 VAL HG22 H 1 0.929 0.030 . 1 . . . . 56 VAL HG2 . 11357 1 620 . 1 1 56 56 VAL HG23 H 1 0.929 0.030 . 1 . . . . 56 VAL HG2 . 11357 1 621 . 1 1 56 56 VAL C C 13 176.560 0.300 . 1 . . . . 56 VAL C . 11357 1 622 . 1 1 56 56 VAL CA C 13 66.217 0.300 . 1 . . . . 56 VAL CA . 11357 1 623 . 1 1 56 56 VAL CB C 13 31.835 0.300 . 1 . . . . 56 VAL CB . 11357 1 624 . 1 1 56 56 VAL CG1 C 13 24.567 0.300 . 2 . . . . 56 VAL CG1 . 11357 1 625 . 1 1 56 56 VAL CG2 C 13 21.613 0.300 . 2 . . . . 56 VAL CG2 . 11357 1 626 . 1 1 56 56 VAL N N 15 122.362 0.300 . 1 . . . . 56 VAL N . 11357 1 627 . 1 1 57 57 ASP H H 1 7.622 0.030 . 1 . . . . 57 ASP H . 11357 1 628 . 1 1 57 57 ASP HA H 1 4.250 0.030 . 1 . . . . 57 ASP HA . 11357 1 629 . 1 1 57 57 ASP HB2 H 1 2.859 0.030 . 2 . . . . 57 ASP HB2 . 11357 1 630 . 1 1 57 57 ASP HB3 H 1 2.679 0.030 . 2 . . . . 57 ASP HB3 . 11357 1 631 . 1 1 57 57 ASP C C 13 178.218 0.300 . 1 . . . . 57 ASP C . 11357 1 632 . 1 1 57 57 ASP CA C 13 57.865 0.300 . 1 . . . . 57 ASP CA . 11357 1 633 . 1 1 57 57 ASP CB C 13 40.086 0.300 . 1 . . . . 57 ASP CB . 11357 1 634 . 1 1 57 57 ASP N N 15 118.089 0.300 . 1 . . . . 57 ASP N . 11357 1 635 . 1 1 58 58 LYS H H 1 7.524 0.030 . 1 . . . . 58 LYS H . 11357 1 636 . 1 1 58 58 LYS HA H 1 4.059 0.030 . 1 . . . . 58 LYS HA . 11357 1 637 . 1 1 58 58 LYS HB2 H 1 1.956 0.030 . 2 . . . . 58 LYS HB2 . 11357 1 638 . 1 1 58 58 LYS HB3 H 1 1.915 0.030 . 2 . . . . 58 LYS HB3 . 11357 1 639 . 1 1 58 58 LYS HD2 H 1 1.702 0.030 . 1 . . . . 58 LYS HD2 . 11357 1 640 . 1 1 58 58 LYS HD3 H 1 1.702 0.030 . 1 . . . . 58 LYS HD3 . 11357 1 641 . 1 1 58 58 LYS HE2 H 1 3.008 0.030 . 1 . . . . 58 LYS HE2 . 11357 1 642 . 1 1 58 58 LYS HE3 H 1 3.008 0.030 . 1 . . . . 58 LYS HE3 . 11357 1 643 . 1 1 58 58 LYS HG2 H 1 1.536 0.030 . 2 . . . . 58 LYS HG2 . 11357 1 644 . 1 1 58 58 LYS HG3 H 1 1.458 0.030 . 2 . . . . 58 LYS HG3 . 11357 1 645 . 1 1 58 58 LYS C C 13 178.149 0.300 . 1 . . . . 58 LYS C . 11357 1 646 . 1 1 58 58 LYS CA C 13 59.202 0.300 . 1 . . . . 58 LYS CA . 11357 1 647 . 1 1 58 58 LYS CB C 13 32.457 0.300 . 1 . . . . 58 LYS CB . 11357 1 648 . 1 1 58 58 LYS CD C 13 29.228 0.300 . 1 . . . . 58 LYS CD . 11357 1 649 . 1 1 58 58 LYS CE C 13 42.228 0.300 . 1 . . . . 58 LYS CE . 11357 1 650 . 1 1 58 58 LYS CG C 13 24.848 0.300 . 1 . . . . 58 LYS CG . 11357 1 651 . 1 1 58 58 LYS N N 15 117.933 0.300 . 1 . . . . 58 LYS N . 11357 1 652 . 1 1 59 59 ILE H H 1 7.666 0.030 . 1 . . . . 59 ILE H . 11357 1 653 . 1 1 59 59 ILE HA H 1 3.887 0.030 . 1 . . . . 59 ILE HA . 11357 1 654 . 1 1 59 59 ILE HB H 1 2.001 0.030 . 1 . . . . 59 ILE HB . 11357 1 655 . 1 1 59 59 ILE HD11 H 1 1.005 0.030 . 1 . . . . 59 ILE HD1 . 11357 1 656 . 1 1 59 59 ILE HD12 H 1 1.005 0.030 . 1 . . . . 59 ILE HD1 . 11357 1 657 . 1 1 59 59 ILE HD13 H 1 1.005 0.030 . 1 . . . . 59 ILE HD1 . 11357 1 658 . 1 1 59 59 ILE HG12 H 1 1.930 0.030 . 2 . . . . 59 ILE HG12 . 11357 1 659 . 1 1 59 59 ILE HG13 H 1 1.277 0.030 . 2 . . . . 59 ILE HG13 . 11357 1 660 . 1 1 59 59 ILE HG21 H 1 1.067 0.030 . 1 . . . . 59 ILE HG2 . 11357 1 661 . 1 1 59 59 ILE HG22 H 1 1.067 0.030 . 1 . . . . 59 ILE HG2 . 11357 1 662 . 1 1 59 59 ILE HG23 H 1 1.067 0.030 . 1 . . . . 59 ILE HG2 . 11357 1 663 . 1 1 59 59 ILE C C 13 177.931 0.300 . 1 . . . . 59 ILE C . 11357 1 664 . 1 1 59 59 ILE CA C 13 64.929 0.300 . 1 . . . . 59 ILE CA . 11357 1 665 . 1 1 59 59 ILE CB C 13 38.815 0.300 . 1 . . . . 59 ILE CB . 11357 1 666 . 1 1 59 59 ILE CD1 C 13 14.487 0.300 . 1 . . . . 59 ILE CD1 . 11357 1 667 . 1 1 59 59 ILE CG1 C 13 29.942 0.300 . 1 . . . . 59 ILE CG1 . 11357 1 668 . 1 1 59 59 ILE CG2 C 13 17.986 0.300 . 1 . . . . 59 ILE CG2 . 11357 1 669 . 1 1 59 59 ILE N N 15 119.541 0.300 . 1 . . . . 59 ILE N . 11357 1 670 . 1 1 60 60 ILE H H 1 7.803 0.030 . 1 . . . . 60 ILE H . 11357 1 671 . 1 1 60 60 ILE HA H 1 3.970 0.030 . 1 . . . . 60 ILE HA . 11357 1 672 . 1 1 60 60 ILE HB H 1 1.960 0.030 . 1 . . . . 60 ILE HB . 11357 1 673 . 1 1 60 60 ILE HD11 H 1 0.868 0.030 . 1 . . . . 60 ILE HD1 . 11357 1 674 . 1 1 60 60 ILE HD12 H 1 0.868 0.030 . 1 . . . . 60 ILE HD1 . 11357 1 675 . 1 1 60 60 ILE HD13 H 1 0.868 0.030 . 1 . . . . 60 ILE HD1 . 11357 1 676 . 1 1 60 60 ILE HG12 H 1 1.759 0.030 . 2 . . . . 60 ILE HG12 . 11357 1 677 . 1 1 60 60 ILE HG13 H 1 0.969 0.030 . 2 . . . . 60 ILE HG13 . 11357 1 678 . 1 1 60 60 ILE HG21 H 1 0.960 0.030 . 1 . . . . 60 ILE HG2 . 11357 1 679 . 1 1 60 60 ILE HG22 H 1 0.960 0.030 . 1 . . . . 60 ILE HG2 . 11357 1 680 . 1 1 60 60 ILE HG23 H 1 0.960 0.030 . 1 . . . . 60 ILE HG2 . 11357 1 681 . 1 1 60 60 ILE C C 13 177.562 0.300 . 1 . . . . 60 ILE C . 11357 1 682 . 1 1 60 60 ILE CA C 13 64.929 0.300 . 1 . . . . 60 ILE CA . 11357 1 683 . 1 1 60 60 ILE CB C 13 38.475 0.300 . 1 . . . . 60 ILE CB . 11357 1 684 . 1 1 60 60 ILE CD1 C 13 14.125 0.300 . 1 . . . . 60 ILE CD1 . 11357 1 685 . 1 1 60 60 ILE CG1 C 13 29.669 0.300 . 1 . . . . 60 ILE CG1 . 11357 1 686 . 1 1 60 60 ILE CG2 C 13 17.525 0.300 . 1 . . . . 60 ILE CG2 . 11357 1 687 . 1 1 60 60 ILE N N 15 116.149 0.300 . 1 . . . . 60 ILE N . 11357 1 688 . 1 1 61 61 GLN H H 1 7.768 0.030 . 1 . . . . 61 GLN H . 11357 1 689 . 1 1 61 61 GLN HA H 1 4.239 0.030 . 1 . . . . 61 GLN HA . 11357 1 690 . 1 1 61 61 GLN HB2 H 1 2.271 0.030 . 2 . . . . 61 GLN HB2 . 11357 1 691 . 1 1 61 61 GLN HB3 H 1 2.243 0.030 . 2 . . . . 61 GLN HB3 . 11357 1 692 . 1 1 61 61 GLN HE21 H 1 6.859 0.030 . 2 . . . . 61 GLN HE21 . 11357 1 693 . 1 1 61 61 GLN HE22 H 1 7.510 0.030 . 2 . . . . 61 GLN HE22 . 11357 1 694 . 1 1 61 61 GLN HG2 H 1 2.620 0.030 . 2 . . . . 61 GLN HG2 . 11357 1 695 . 1 1 61 61 GLN HG3 H 1 2.560 0.030 . 2 . . . . 61 GLN HG3 . 11357 1 696 . 1 1 61 61 GLN C C 13 176.008 0.300 . 1 . . . . 61 GLN C . 11357 1 697 . 1 1 61 61 GLN CA C 13 57.306 0.300 . 1 . . . . 61 GLN CA . 11357 1 698 . 1 1 61 61 GLN CB C 13 29.401 0.300 . 1 . . . . 61 GLN CB . 11357 1 699 . 1 1 61 61 GLN CG C 13 34.259 0.300 . 1 . . . . 61 GLN CG . 11357 1 700 . 1 1 61 61 GLN N N 15 116.729 0.300 . 1 . . . . 61 GLN N . 11357 1 701 . 1 1 61 61 GLN NE2 N 15 111.430 0.300 . 1 . . . . 61 GLN NE2 . 11357 1 702 . 1 1 62 62 GLU H H 1 7.703 0.030 . 1 . . . . 62 GLU H . 11357 1 703 . 1 1 62 62 GLU HA H 1 4.709 0.030 . 1 . . . . 62 GLU HA . 11357 1 704 . 1 1 62 62 GLU HB2 H 1 1.930 0.030 . 1 . . . . 62 GLU HB2 . 11357 1 705 . 1 1 62 62 GLU HB3 H 1 1.930 0.030 . 1 . . . . 62 GLU HB3 . 11357 1 706 . 1 1 62 62 GLU HG2 H 1 2.270 0.030 . 2 . . . . 62 GLU HG2 . 11357 1 707 . 1 1 62 62 GLU HG3 H 1 2.140 0.030 . 2 . . . . 62 GLU HG3 . 11357 1 708 . 1 1 62 62 GLU C C 13 171.799 0.300 . 1 . . . . 62 GLU C . 11357 1 709 . 1 1 62 62 GLU CA C 13 53.232 0.300 . 1 . . . . 62 GLU CA . 11357 1 710 . 1 1 62 62 GLU CB C 13 29.985 0.300 . 1 . . . . 62 GLU CB . 11357 1 711 . 1 1 62 62 GLU CG C 13 35.936 0.300 . 1 . . . . 62 GLU CG . 11357 1 712 . 1 1 62 62 GLU N N 15 119.199 0.300 . 1 . . . . 62 GLU N . 11357 1 713 . 1 1 63 63 PRO HA H 1 4.115 0.030 . 1 . . . . 63 PRO HA . 11357 1 714 . 1 1 63 63 PRO HB2 H 1 1.170 0.030 . 2 . . . . 63 PRO HB2 . 11357 1 715 . 1 1 63 63 PRO HB3 H 1 1.012 0.030 . 2 . . . . 63 PRO HB3 . 11357 1 716 . 1 1 63 63 PRO HD2 H 1 3.521 0.030 . 2 . . . . 63 PRO HD2 . 11357 1 717 . 1 1 63 63 PRO HD3 H 1 3.340 0.030 . 2 . . . . 63 PRO HD3 . 11357 1 718 . 1 1 63 63 PRO HG2 H 1 1.639 0.030 . 2 . . . . 63 PRO HG2 . 11357 1 719 . 1 1 63 63 PRO HG3 H 1 1.888 0.030 . 2 . . . . 63 PRO HG3 . 11357 1 720 . 1 1 63 63 PRO CA C 13 61.003 0.300 . 1 . . . . 63 PRO CA . 11357 1 721 . 1 1 63 63 PRO CB C 13 30.830 0.300 . 1 . . . . 63 PRO CB . 11357 1 722 . 1 1 63 63 PRO CD C 13 50.063 0.300 . 1 . . . . 63 PRO CD . 11357 1 723 . 1 1 63 63 PRO CG C 13 27.547 0.300 . 1 . . . . 63 PRO CG . 11357 1 724 . 1 1 64 64 PRO HA H 1 4.152 0.030 . 1 . . . . 64 PRO HA . 11357 1 725 . 1 1 64 64 PRO HB2 H 1 1.918 0.030 . 2 . . . . 64 PRO HB2 . 11357 1 726 . 1 1 64 64 PRO HB3 H 1 2.249 0.030 . 2 . . . . 64 PRO HB3 . 11357 1 727 . 1 1 64 64 PRO HD2 H 1 3.441 0.030 . 2 . . . . 64 PRO HD2 . 11357 1 728 . 1 1 64 64 PRO HD3 H 1 2.846 0.030 . 2 . . . . 64 PRO HD3 . 11357 1 729 . 1 1 64 64 PRO HG2 H 1 1.930 0.030 . 2 . . . . 64 PRO HG2 . 11357 1 730 . 1 1 64 64 PRO HG3 H 1 1.909 0.030 . 2 . . . . 64 PRO HG3 . 11357 1 731 . 1 1 64 64 PRO C C 13 177.475 0.300 . 1 . . . . 64 PRO C . 11357 1 732 . 1 1 64 64 PRO CA C 13 64.317 0.300 . 1 . . . . 64 PRO CA . 11357 1 733 . 1 1 64 64 PRO CB C 13 31.912 0.300 . 1 . . . . 64 PRO CB . 11357 1 734 . 1 1 64 64 PRO CD C 13 50.717 0.300 . 1 . . . . 64 PRO CD . 11357 1 735 . 1 1 64 64 PRO CG C 13 27.223 0.300 . 1 . . . . 64 PRO CG . 11357 1 736 . 1 1 65 65 HIS H H 1 8.393 0.030 . 1 . . . . 65 HIS H . 11357 1 737 . 1 1 65 65 HIS HA H 1 4.541 0.030 . 1 . . . . 65 HIS HA . 11357 1 738 . 1 1 65 65 HIS HB2 H 1 2.791 0.030 . 2 . . . . 65 HIS HB2 . 11357 1 739 . 1 1 65 65 HIS HB3 H 1 3.119 0.030 . 2 . . . . 65 HIS HB3 . 11357 1 740 . 1 1 65 65 HIS HD2 H 1 6.771 0.030 . 1 . . . . 65 HIS HD2 . 11357 1 741 . 1 1 65 65 HIS HE1 H 1 6.420 0.030 . 1 . . . . 65 HIS HE1 . 11357 1 742 . 1 1 65 65 HIS C C 13 175.557 0.300 . 1 . . . . 65 HIS C . 11357 1 743 . 1 1 65 65 HIS CA C 13 56.545 0.300 . 1 . . . . 65 HIS CA . 11357 1 744 . 1 1 65 65 HIS CB C 13 29.731 0.300 . 1 . . . . 65 HIS CB . 11357 1 745 . 1 1 65 65 HIS CD2 C 13 117.843 0.300 . 1 . . . . 65 HIS CD2 . 11357 1 746 . 1 1 65 65 HIS CE1 C 13 137.915 0.300 . 1 . . . . 65 HIS CE1 . 11357 1 747 . 1 1 65 65 HIS N N 15 115.252 0.300 . 1 . . . . 65 HIS N . 11357 1 748 . 1 1 66 66 LYS H H 1 7.121 0.030 . 1 . . . . 66 LYS H . 11357 1 749 . 1 1 66 66 LYS HA H 1 4.213 0.030 . 1 . . . . 66 LYS HA . 11357 1 750 . 1 1 66 66 LYS HB2 H 1 1.320 0.030 . 2 . . . . 66 LYS HB2 . 11357 1 751 . 1 1 66 66 LYS HB3 H 1 1.736 0.030 . 2 . . . . 66 LYS HB3 . 11357 1 752 . 1 1 66 66 LYS HD2 H 1 1.433 0.030 . 1 . . . . 66 LYS HD2 . 11357 1 753 . 1 1 66 66 LYS HD3 H 1 1.433 0.030 . 1 . . . . 66 LYS HD3 . 11357 1 754 . 1 1 66 66 LYS HE2 H 1 2.802 0.030 . 1 . . . . 66 LYS HE2 . 11357 1 755 . 1 1 66 66 LYS HE3 H 1 2.802 0.030 . 1 . . . . 66 LYS HE3 . 11357 1 756 . 1 1 66 66 LYS HG2 H 1 0.788 0.030 . 2 . . . . 66 LYS HG2 . 11357 1 757 . 1 1 66 66 LYS HG3 H 1 0.741 0.030 . 2 . . . . 66 LYS HG3 . 11357 1 758 . 1 1 66 66 LYS C C 13 175.906 0.300 . 1 . . . . 66 LYS C . 11357 1 759 . 1 1 66 66 LYS CA C 13 55.360 0.300 . 1 . . . . 66 LYS CA . 11357 1 760 . 1 1 66 66 LYS CB C 13 32.676 0.300 . 1 . . . . 66 LYS CB . 11357 1 761 . 1 1 66 66 LYS CD C 13 28.779 0.300 . 1 . . . . 66 LYS CD . 11357 1 762 . 1 1 66 66 LYS CE C 13 41.864 0.300 . 1 . . . . 66 LYS CE . 11357 1 763 . 1 1 66 66 LYS CG C 13 24.171 0.300 . 1 . . . . 66 LYS CG . 11357 1 764 . 1 1 66 66 LYS N N 15 120.755 0.300 . 1 . . . . 66 LYS N . 11357 1 765 . 1 1 67 67 LYS H H 1 7.775 0.030 . 1 . . . . 67 LYS H . 11357 1 766 . 1 1 67 67 LYS HA H 1 4.282 0.030 . 1 . . . . 67 LYS HA . 11357 1 767 . 1 1 67 67 LYS HB2 H 1 1.812 0.030 . 2 . . . . 67 LYS HB2 . 11357 1 768 . 1 1 67 67 LYS HB3 H 1 1.720 0.030 . 2 . . . . 67 LYS HB3 . 11357 1 769 . 1 1 67 67 LYS HD2 H 1 1.677 0.030 . 1 . . . . 67 LYS HD2 . 11357 1 770 . 1 1 67 67 LYS HD3 H 1 1.677 0.030 . 1 . . . . 67 LYS HD3 . 11357 1 771 . 1 1 67 67 LYS HE2 H 1 2.972 0.030 . 1 . . . . 67 LYS HE2 . 11357 1 772 . 1 1 67 67 LYS HE3 H 1 2.972 0.030 . 1 . . . . 67 LYS HE3 . 11357 1 773 . 1 1 67 67 LYS HG2 H 1 1.424 0.030 . 1 . . . . 67 LYS HG2 . 11357 1 774 . 1 1 67 67 LYS HG3 H 1 1.424 0.030 . 1 . . . . 67 LYS HG3 . 11357 1 775 . 1 1 67 67 LYS C C 13 176.527 0.300 . 1 . . . . 67 LYS C . 11357 1 776 . 1 1 67 67 LYS CA C 13 56.395 0.300 . 1 . . . . 67 LYS CA . 11357 1 777 . 1 1 67 67 LYS CB C 13 33.061 0.300 . 1 . . . . 67 LYS CB . 11357 1 778 . 1 1 67 67 LYS CD C 13 29.125 0.300 . 1 . . . . 67 LYS CD . 11357 1 779 . 1 1 67 67 LYS CE C 13 42.138 0.300 . 1 . . . . 67 LYS CE . 11357 1 780 . 1 1 67 67 LYS CG C 13 24.724 0.300 . 1 . . . . 67 LYS CG . 11357 1 781 . 1 1 67 67 LYS N N 15 121.714 0.300 . 1 . . . . 67 LYS N . 11357 1 782 . 1 1 68 68 SER H H 1 8.330 0.030 . 1 . . . . 68 SER H . 11357 1 783 . 1 1 68 68 SER HA H 1 4.494 0.030 . 1 . . . . 68 SER HA . 11357 1 784 . 1 1 68 68 SER HB2 H 1 3.868 0.030 . 1 . . . . 68 SER HB2 . 11357 1 785 . 1 1 68 68 SER HB3 H 1 3.868 0.030 . 1 . . . . 68 SER HB3 . 11357 1 786 . 1 1 68 68 SER C C 13 174.511 0.300 . 1 . . . . 68 SER C . 11357 1 787 . 1 1 68 68 SER CA C 13 58.254 0.300 . 1 . . . . 68 SER CA . 11357 1 788 . 1 1 68 68 SER CB C 13 64.067 0.300 . 1 . . . . 68 SER CB . 11357 1 789 . 1 1 68 68 SER N N 15 117.323 0.300 . 1 . . . . 68 SER N . 11357 1 790 . 1 1 69 69 GLY H H 1 8.241 0.030 . 1 . . . . 69 GLY H . 11357 1 791 . 1 1 69 69 GLY HA2 H 1 4.156 0.030 . 2 . . . . 69 GLY HA2 . 11357 1 792 . 1 1 69 69 GLY HA3 H 1 4.099 0.030 . 2 . . . . 69 GLY HA3 . 11357 1 793 . 1 1 69 69 GLY C C 13 174.490 0.300 . 1 . . . . 69 GLY C . 11357 1 794 . 1 1 69 69 GLY CA C 13 44.700 0.300 . 1 . . . . 69 GLY CA . 11357 1 795 . 1 1 69 69 GLY N N 15 110.726 0.300 . 1 . . . . 69 GLY N . 11357 1 796 . 1 1 70 70 PRO HA H 1 4.486 0.030 . 1 . . . . 70 PRO HA . 11357 1 797 . 1 1 70 70 PRO HB2 H 1 1.982 0.030 . 2 . . . . 70 PRO HB2 . 11357 1 798 . 1 1 70 70 PRO HB3 H 1 2.302 0.030 . 2 . . . . 70 PRO HB3 . 11357 1 799 . 1 1 70 70 PRO HD2 H 1 3.629 0.030 . 1 . . . . 70 PRO HD2 . 11357 1 800 . 1 1 70 70 PRO HD3 H 1 3.629 0.030 . 1 . . . . 70 PRO HD3 . 11357 1 801 . 1 1 70 70 PRO HG2 H 1 2.019 0.030 . 1 . . . . 70 PRO HG2 . 11357 1 802 . 1 1 70 70 PRO HG3 H 1 2.019 0.030 . 1 . . . . 70 PRO HG3 . 11357 1 803 . 1 1 70 70 PRO C C 13 177.430 0.300 . 1 . . . . 70 PRO C . 11357 1 804 . 1 1 70 70 PRO CA C 13 63.304 0.300 . 1 . . . . 70 PRO CA . 11357 1 805 . 1 1 70 70 PRO CB C 13 32.232 0.300 . 1 . . . . 70 PRO CB . 11357 1 806 . 1 1 70 70 PRO CD C 13 49.803 0.300 . 1 . . . . 70 PRO CD . 11357 1 807 . 1 1 70 70 PRO CG C 13 27.157 0.300 . 1 . . . . 70 PRO CG . 11357 1 808 . 1 1 71 71 SER H H 1 8.522 0.030 . 1 . . . . 71 SER H . 11357 1 809 . 1 1 71 71 SER C C 13 174.633 0.300 . 1 . . . . 71 SER C . 11357 1 810 . 1 1 71 71 SER N N 15 116.375 0.300 . 1 . . . . 71 SER N . 11357 1 stop_ save_