data_10286 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10286 _Entry.Title ; Solution structure of the homeobox domain of the hypothetical protein, DKFZp686K21156 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-17 _Entry.Accession_date 2008-12-18 _Entry.Last_release_date 2009-12-17 _Entry.Original_release_date 2009-12-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 S. Ohnishi . . . 10286 2 T. Kigawa . . . 10286 3 K. Saito . . . 10286 4 S. Koshiba . . . 10286 5 M. Inoue . . . 10286 6 S. Yokoyama . . . 10286 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 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10286 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10286 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 319 10286 '15N chemical shifts' 75 10286 '1H chemical shifts' 499 10286 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 . . 2009-12-17 2008-12-17 original author . 10286 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DA4 'BMRB Entry Tracking System' 10286 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10286 _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 homeobox domain of the hypothetical protein, DKFZp686K21156 ; _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 S. Ohnishi . . . 10286 1 2 T. Kigawa . . . 10286 1 3 K. Saito . . . 10286 1 4 S. Koshiba . . . 10286 1 5 M. Inoue . . . 10286 1 6 S. Yokoyama . . . 10286 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10286 _Assembly.ID 1 _Assembly.Name 'Hypothetical protein DKFZp686K21156' _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 'homeobox domain' 1 $entity_1 . . yes native no no . . . 10286 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 . PDB 2DA4 . . . . . . 10286 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10286 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'homeobox domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGALQDRTQFSDRDL ATLKKYWDNGMTSLGSVCRE KIEAVATELNVDCEIVRTWI GNRRRKYRLMGIEVSGPSSG ; _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 80 _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 2DA4 . "Solution Structure Of The Homeobox Domain Of The Hypothetical Protein, Dkfzp686k21156" . . . . . 100.00 80 100.00 100.00 8.98e-50 . . . . 10286 1 2 no REF XP_012429181 . "PREDICTED: highly divergent homeobox-like, partial [Taeniopygia guttata]" . . . . . 61.25 189 97.96 97.96 7.32e-26 . . . . 10286 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'homeobox domain' . 10286 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 . 10286 1 2 . SER . 10286 1 3 . SER . 10286 1 4 . GLY . 10286 1 5 . SER . 10286 1 6 . SER . 10286 1 7 . GLY . 10286 1 8 . ALA . 10286 1 9 . LEU . 10286 1 10 . GLN . 10286 1 11 . ASP . 10286 1 12 . ARG . 10286 1 13 . THR . 10286 1 14 . GLN . 10286 1 15 . PHE . 10286 1 16 . SER . 10286 1 17 . ASP . 10286 1 18 . ARG . 10286 1 19 . ASP . 10286 1 20 . LEU . 10286 1 21 . ALA . 10286 1 22 . THR . 10286 1 23 . LEU . 10286 1 24 . LYS . 10286 1 25 . LYS . 10286 1 26 . TYR . 10286 1 27 . TRP . 10286 1 28 . ASP . 10286 1 29 . ASN . 10286 1 30 . GLY . 10286 1 31 . MET . 10286 1 32 . THR . 10286 1 33 . SER . 10286 1 34 . LEU . 10286 1 35 . GLY . 10286 1 36 . SER . 10286 1 37 . VAL . 10286 1 38 . CYS . 10286 1 39 . ARG . 10286 1 40 . GLU . 10286 1 41 . LYS . 10286 1 42 . ILE . 10286 1 43 . GLU . 10286 1 44 . ALA . 10286 1 45 . VAL . 10286 1 46 . ALA . 10286 1 47 . THR . 10286 1 48 . GLU . 10286 1 49 . LEU . 10286 1 50 . ASN . 10286 1 51 . VAL . 10286 1 52 . ASP . 10286 1 53 . CYS . 10286 1 54 . GLU . 10286 1 55 . ILE . 10286 1 56 . VAL . 10286 1 57 . ARG . 10286 1 58 . THR . 10286 1 59 . TRP . 10286 1 60 . ILE . 10286 1 61 . GLY . 10286 1 62 . ASN . 10286 1 63 . ARG . 10286 1 64 . ARG . 10286 1 65 . ARG . 10286 1 66 . LYS . 10286 1 67 . TYR . 10286 1 68 . ARG . 10286 1 69 . LEU . 10286 1 70 . MET . 10286 1 71 . GLY . 10286 1 72 . ILE . 10286 1 73 . GLU . 10286 1 74 . VAL . 10286 1 75 . SER . 10286 1 76 . GLY . 10286 1 77 . PRO . 10286 1 78 . SER . 10286 1 79 . SER . 10286 1 80 . GLY . 10286 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 10286 1 . SER 2 2 10286 1 . SER 3 3 10286 1 . GLY 4 4 10286 1 . SER 5 5 10286 1 . SER 6 6 10286 1 . GLY 7 7 10286 1 . ALA 8 8 10286 1 . LEU 9 9 10286 1 . GLN 10 10 10286 1 . ASP 11 11 10286 1 . ARG 12 12 10286 1 . THR 13 13 10286 1 . GLN 14 14 10286 1 . PHE 15 15 10286 1 . SER 16 16 10286 1 . ASP 17 17 10286 1 . ARG 18 18 10286 1 . ASP 19 19 10286 1 . LEU 20 20 10286 1 . ALA 21 21 10286 1 . THR 22 22 10286 1 . LEU 23 23 10286 1 . LYS 24 24 10286 1 . LYS 25 25 10286 1 . TYR 26 26 10286 1 . TRP 27 27 10286 1 . ASP 28 28 10286 1 . ASN 29 29 10286 1 . GLY 30 30 10286 1 . MET 31 31 10286 1 . THR 32 32 10286 1 . SER 33 33 10286 1 . LEU 34 34 10286 1 . GLY 35 35 10286 1 . SER 36 36 10286 1 . VAL 37 37 10286 1 . CYS 38 38 10286 1 . ARG 39 39 10286 1 . GLU 40 40 10286 1 . LYS 41 41 10286 1 . ILE 42 42 10286 1 . GLU 43 43 10286 1 . ALA 44 44 10286 1 . VAL 45 45 10286 1 . ALA 46 46 10286 1 . THR 47 47 10286 1 . GLU 48 48 10286 1 . LEU 49 49 10286 1 . ASN 50 50 10286 1 . VAL 51 51 10286 1 . ASP 52 52 10286 1 . CYS 53 53 10286 1 . GLU 54 54 10286 1 . ILE 55 55 10286 1 . VAL 56 56 10286 1 . ARG 57 57 10286 1 . THR 58 58 10286 1 . TRP 59 59 10286 1 . ILE 60 60 10286 1 . GLY 61 61 10286 1 . ASN 62 62 10286 1 . ARG 63 63 10286 1 . ARG 64 64 10286 1 . ARG 65 65 10286 1 . LYS 66 66 10286 1 . TYR 67 67 10286 1 . ARG 68 68 10286 1 . LEU 69 69 10286 1 . MET 70 70 10286 1 . GLY 71 71 10286 1 . ILE 72 72 10286 1 . GLU 73 73 10286 1 . VAL 74 74 10286 1 . SER 75 75 10286 1 . GLY 76 76 10286 1 . PRO 77 77 10286 1 . SER 78 78 10286 1 . SER 79 79 10286 1 . GLY 80 80 10286 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 10286 _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 . . . . . . . . . . . . . . . . . . . . . 10286 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 10286 _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' . . . . . . . . . . . . . . . . . . . plasmid . . P050404-05 . . . . . . 10286 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10286 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'homeobox domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.0 . . mM . . . . 10286 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10286 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10286 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10286 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10286 1 6 H2O . . . . . . solvent 90 . . % . . . . 10286 1 7 D2O . . . . . . solvent 10 . . % . . . . 10286 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 10286 _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 10286 1 pH 7.0 0.05 pH 10286 1 pressure 1 0.001 atm 10286 1 temperature 298 0.1 K 10286 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10286 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10286 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10286 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10286 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10286 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10286 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10286 _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.' . . 10286 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10286 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10286 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10286 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10286 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10286 _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.' . . 10286 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10286 5 'structure solution' 10286 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 10286 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10286 _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 . 700 . . . 10286 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 10286 _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 . . . . . . . . . . . . . . . . 10286 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10286 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 10286 _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 . . . . . . . . . 10286 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10286 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10286 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 10286 _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 10286 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10286 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 3.969 0.030 . 1 . . . . 7 GLY HA2 . 10286 1 2 . 1 1 7 7 GLY HA3 H 1 3.969 0.030 . 1 . . . . 7 GLY HA3 . 10286 1 3 . 1 1 7 7 GLY C C 13 173.939 0.300 . 1 . . . . 7 GLY C . 10286 1 4 . 1 1 7 7 GLY CA C 13 45.342 0.300 . 1 . . . . 7 GLY CA . 10286 1 5 . 1 1 8 8 ALA H H 1 8.128 0.030 . 1 . . . . 8 ALA H . 10286 1 6 . 1 1 8 8 ALA HA H 1 4.329 0.030 . 1 . . . . 8 ALA HA . 10286 1 7 . 1 1 8 8 ALA HB1 H 1 1.379 0.030 . 1 . . . . 8 ALA HB . 10286 1 8 . 1 1 8 8 ALA HB2 H 1 1.379 0.030 . 1 . . . . 8 ALA HB . 10286 1 9 . 1 1 8 8 ALA HB3 H 1 1.379 0.030 . 1 . . . . 8 ALA HB . 10286 1 10 . 1 1 8 8 ALA C C 13 177.971 0.300 . 1 . . . . 8 ALA C . 10286 1 11 . 1 1 8 8 ALA CA C 13 52.565 0.300 . 1 . . . . 8 ALA CA . 10286 1 12 . 1 1 8 8 ALA CB C 13 19.287 0.300 . 1 . . . . 8 ALA CB . 10286 1 13 . 1 1 8 8 ALA N N 15 123.703 0.300 . 1 . . . . 8 ALA N . 10286 1 14 . 1 1 9 9 LEU H H 1 8.240 0.030 . 1 . . . . 9 LEU H . 10286 1 15 . 1 1 9 9 LEU HA H 1 4.304 0.030 . 1 . . . . 9 LEU HA . 10286 1 16 . 1 1 9 9 LEU HB2 H 1 1.591 0.030 . 2 . . . . 9 LEU HB2 . 10286 1 17 . 1 1 9 9 LEU HB3 H 1 1.669 0.030 . 2 . . . . 9 LEU HB3 . 10286 1 18 . 1 1 9 9 LEU HD11 H 1 0.928 0.030 . 1 . . . . 9 LEU HD1 . 10286 1 19 . 1 1 9 9 LEU HD12 H 1 0.928 0.030 . 1 . . . . 9 LEU HD1 . 10286 1 20 . 1 1 9 9 LEU HD13 H 1 0.928 0.030 . 1 . . . . 9 LEU HD1 . 10286 1 21 . 1 1 9 9 LEU HD21 H 1 0.870 0.030 . 1 . . . . 9 LEU HD2 . 10286 1 22 . 1 1 9 9 LEU HD22 H 1 0.870 0.030 . 1 . . . . 9 LEU HD2 . 10286 1 23 . 1 1 9 9 LEU HD23 H 1 0.870 0.030 . 1 . . . . 9 LEU HD2 . 10286 1 24 . 1 1 9 9 LEU HG H 1 1.640 0.030 . 1 . . . . 9 LEU HG . 10286 1 25 . 1 1 9 9 LEU C C 13 177.655 0.300 . 1 . . . . 9 LEU C . 10286 1 26 . 1 1 9 9 LEU CA C 13 55.570 0.300 . 1 . . . . 9 LEU CA . 10286 1 27 . 1 1 9 9 LEU CB C 13 42.202 0.300 . 1 . . . . 9 LEU CB . 10286 1 28 . 1 1 9 9 LEU CD1 C 13 24.727 0.300 . 2 . . . . 9 LEU CD1 . 10286 1 29 . 1 1 9 9 LEU CD2 C 13 23.573 0.300 . 2 . . . . 9 LEU CD2 . 10286 1 30 . 1 1 9 9 LEU CG C 13 26.946 0.300 . 1 . . . . 9 LEU CG . 10286 1 31 . 1 1 9 9 LEU N N 15 121.161 0.300 . 1 . . . . 9 LEU N . 10286 1 32 . 1 1 10 10 GLN H H 1 8.305 0.030 . 1 . . . . 10 GLN H . 10286 1 33 . 1 1 10 10 GLN HA H 1 4.313 0.030 . 1 . . . . 10 GLN HA . 10286 1 34 . 1 1 10 10 GLN HB2 H 1 2.082 0.030 . 2 . . . . 10 GLN HB2 . 10286 1 35 . 1 1 10 10 GLN HB3 H 1 1.980 0.030 . 2 . . . . 10 GLN HB3 . 10286 1 36 . 1 1 10 10 GLN HE21 H 1 7.531 0.030 . 2 . . . . 10 GLN HE21 . 10286 1 37 . 1 1 10 10 GLN HE22 H 1 6.858 0.030 . 2 . . . . 10 GLN HE22 . 10286 1 38 . 1 1 10 10 GLN HG2 H 1 2.359 0.030 . 1 . . . . 10 GLN HG2 . 10286 1 39 . 1 1 10 10 GLN HG3 H 1 2.359 0.030 . 1 . . . . 10 GLN HG3 . 10286 1 40 . 1 1 10 10 GLN C C 13 175.737 0.300 . 1 . . . . 10 GLN C . 10286 1 41 . 1 1 10 10 GLN CA C 13 56.099 0.300 . 1 . . . . 10 GLN CA . 10286 1 42 . 1 1 10 10 GLN CB C 13 29.425 0.300 . 1 . . . . 10 GLN CB . 10286 1 43 . 1 1 10 10 GLN CG C 13 33.794 0.300 . 1 . . . . 10 GLN CG . 10286 1 44 . 1 1 10 10 GLN N N 15 120.538 0.300 . 1 . . . . 10 GLN N . 10286 1 45 . 1 1 10 10 GLN NE2 N 15 112.393 0.300 . 1 . . . . 10 GLN NE2 . 10286 1 46 . 1 1 11 11 ASP H H 1 8.306 0.030 . 1 . . . . 11 ASP H . 10286 1 47 . 1 1 11 11 ASP HA H 1 4.589 0.030 . 1 . . . . 11 ASP HA . 10286 1 48 . 1 1 11 11 ASP HB2 H 1 2.642 0.030 . 2 . . . . 11 ASP HB2 . 10286 1 49 . 1 1 11 11 ASP HB3 H 1 2.727 0.030 . 2 . . . . 11 ASP HB3 . 10286 1 50 . 1 1 11 11 ASP C C 13 176.319 0.300 . 1 . . . . 11 ASP C . 10286 1 51 . 1 1 11 11 ASP CA C 13 54.583 0.300 . 1 . . . . 11 ASP CA . 10286 1 52 . 1 1 11 11 ASP CB C 13 41.204 0.300 . 1 . . . . 11 ASP CB . 10286 1 53 . 1 1 11 11 ASP N N 15 121.418 0.300 . 1 . . . . 11 ASP N . 10286 1 54 . 1 1 12 12 ARG H H 1 8.257 0.030 . 1 . . . . 12 ARG H . 10286 1 55 . 1 1 12 12 ARG HA H 1 4.408 0.030 . 1 . . . . 12 ARG HA . 10286 1 56 . 1 1 12 12 ARG HB2 H 1 1.794 0.030 . 2 . . . . 12 ARG HB2 . 10286 1 57 . 1 1 12 12 ARG HB3 H 1 1.919 0.030 . 2 . . . . 12 ARG HB3 . 10286 1 58 . 1 1 12 12 ARG HD2 H 1 3.204 0.030 . 1 . . . . 12 ARG HD2 . 10286 1 59 . 1 1 12 12 ARG HD3 H 1 3.204 0.030 . 1 . . . . 12 ARG HD3 . 10286 1 60 . 1 1 12 12 ARG HG2 H 1 1.637 0.030 . 1 . . . . 12 ARG HG2 . 10286 1 61 . 1 1 12 12 ARG HG3 H 1 1.637 0.030 . 1 . . . . 12 ARG HG3 . 10286 1 62 . 1 1 12 12 ARG C C 13 176.295 0.300 . 1 . . . . 12 ARG C . 10286 1 63 . 1 1 12 12 ARG CA C 13 56.088 0.300 . 1 . . . . 12 ARG CA . 10286 1 64 . 1 1 12 12 ARG CB C 13 30.579 0.300 . 1 . . . . 12 ARG CB . 10286 1 65 . 1 1 12 12 ARG CD C 13 43.356 0.300 . 1 . . . . 12 ARG CD . 10286 1 66 . 1 1 12 12 ARG CG C 13 27.035 0.300 . 1 . . . . 12 ARG CG . 10286 1 67 . 1 1 12 12 ARG N N 15 121.271 0.300 . 1 . . . . 12 ARG N . 10286 1 68 . 1 1 13 13 THR H H 1 8.189 0.030 . 1 . . . . 13 THR H . 10286 1 69 . 1 1 13 13 THR HA H 1 4.193 0.030 . 1 . . . . 13 THR HA . 10286 1 70 . 1 1 13 13 THR HB H 1 4.096 0.030 . 1 . . . . 13 THR HB . 10286 1 71 . 1 1 13 13 THR HG21 H 1 1.083 0.030 . 1 . . . . 13 THR HG2 . 10286 1 72 . 1 1 13 13 THR HG22 H 1 1.083 0.030 . 1 . . . . 13 THR HG2 . 10286 1 73 . 1 1 13 13 THR HG23 H 1 1.083 0.030 . 1 . . . . 13 THR HG2 . 10286 1 74 . 1 1 13 13 THR C C 13 174.121 0.300 . 1 . . . . 13 THR C . 10286 1 75 . 1 1 13 13 THR CA C 13 62.448 0.300 . 1 . . . . 13 THR CA . 10286 1 76 . 1 1 13 13 THR CB C 13 69.697 0.300 . 1 . . . . 13 THR CB . 10286 1 77 . 1 1 13 13 THR CG2 C 13 21.595 0.300 . 1 . . . . 13 THR CG2 . 10286 1 78 . 1 1 13 13 THR N N 15 114.810 0.300 . 1 . . . . 13 THR N . 10286 1 79 . 1 1 14 14 GLN H H 1 8.130 0.030 . 1 . . . . 14 GLN H . 10286 1 80 . 1 1 14 14 GLN HA H 1 4.314 0.030 . 1 . . . . 14 GLN HA . 10286 1 81 . 1 1 14 14 GLN HB2 H 1 1.853 0.030 . 2 . . . . 14 GLN HB2 . 10286 1 82 . 1 1 14 14 GLN HB3 H 1 1.947 0.030 . 2 . . . . 14 GLN HB3 . 10286 1 83 . 1 1 14 14 GLN HE21 H 1 7.455 0.030 . 2 . . . . 14 GLN HE21 . 10286 1 84 . 1 1 14 14 GLN HE22 H 1 6.811 0.030 . 2 . . . . 14 GLN HE22 . 10286 1 85 . 1 1 14 14 GLN HG2 H 1 2.108 0.030 . 1 . . . . 14 GLN HG2 . 10286 1 86 . 1 1 14 14 GLN HG3 H 1 2.108 0.030 . 1 . . . . 14 GLN HG3 . 10286 1 87 . 1 1 14 14 GLN C C 13 175.275 0.300 . 1 . . . . 14 GLN C . 10286 1 88 . 1 1 14 14 GLN CA C 13 55.253 0.300 . 1 . . . . 14 GLN CA . 10286 1 89 . 1 1 14 14 GLN CB C 13 29.838 0.300 . 1 . . . . 14 GLN CB . 10286 1 90 . 1 1 14 14 GLN CG C 13 33.464 0.300 . 1 . . . . 14 GLN CG . 10286 1 91 . 1 1 14 14 GLN N N 15 122.533 0.300 . 1 . . . . 14 GLN N . 10286 1 92 . 1 1 14 14 GLN NE2 N 15 112.630 0.300 . 1 . . . . 14 GLN NE2 . 10286 1 93 . 1 1 15 15 PHE H H 1 8.151 0.030 . 1 . . . . 15 PHE H . 10286 1 94 . 1 1 15 15 PHE HA H 1 5.009 0.030 . 1 . . . . 15 PHE HA . 10286 1 95 . 1 1 15 15 PHE HB2 H 1 2.761 0.030 . 2 . . . . 15 PHE HB2 . 10286 1 96 . 1 1 15 15 PHE HB3 H 1 3.189 0.030 . 2 . . . . 15 PHE HB3 . 10286 1 97 . 1 1 15 15 PHE HD1 H 1 7.311 0.030 . 1 . . . . 15 PHE HD1 . 10286 1 98 . 1 1 15 15 PHE HD2 H 1 7.311 0.030 . 1 . . . . 15 PHE HD2 . 10286 1 99 . 1 1 15 15 PHE HE1 H 1 7.146 0.030 . 1 . . . . 15 PHE HE1 . 10286 1 100 . 1 1 15 15 PHE HE2 H 1 7.146 0.030 . 1 . . . . 15 PHE HE2 . 10286 1 101 . 1 1 15 15 PHE HZ H 1 6.944 0.030 . 1 . . . . 15 PHE HZ . 10286 1 102 . 1 1 15 15 PHE C C 13 176.465 0.300 . 1 . . . . 15 PHE C . 10286 1 103 . 1 1 15 15 PHE CA C 13 57.157 0.300 . 1 . . . . 15 PHE CA . 10286 1 104 . 1 1 15 15 PHE CB C 13 40.996 0.300 . 1 . . . . 15 PHE CB . 10286 1 105 . 1 1 15 15 PHE CD1 C 13 131.389 0.300 . 1 . . . . 15 PHE CD1 . 10286 1 106 . 1 1 15 15 PHE CD2 C 13 131.389 0.300 . 1 . . . . 15 PHE CD2 . 10286 1 107 . 1 1 15 15 PHE CE1 C 13 131.135 0.300 . 1 . . . . 15 PHE CE1 . 10286 1 108 . 1 1 15 15 PHE CE2 C 13 131.135 0.300 . 1 . . . . 15 PHE CE2 . 10286 1 109 . 1 1 15 15 PHE CZ C 13 129.020 0.300 . 1 . . . . 15 PHE CZ . 10286 1 110 . 1 1 15 15 PHE N N 15 120.835 0.300 . 1 . . . . 15 PHE N . 10286 1 111 . 1 1 16 16 SER H H 1 9.565 0.030 . 1 . . . . 16 SER H . 10286 1 112 . 1 1 16 16 SER HA H 1 4.610 0.030 . 1 . . . . 16 SER HA . 10286 1 113 . 1 1 16 16 SER HB2 H 1 4.130 0.030 . 2 . . . . 16 SER HB2 . 10286 1 114 . 1 1 16 16 SER HB3 H 1 4.402 0.030 . 2 . . . . 16 SER HB3 . 10286 1 115 . 1 1 16 16 SER C C 13 174.547 0.300 . 1 . . . . 16 SER C . 10286 1 116 . 1 1 16 16 SER CA C 13 56.946 0.300 . 1 . . . . 16 SER CA . 10286 1 117 . 1 1 16 16 SER CB C 13 65.545 0.300 . 1 . . . . 16 SER CB . 10286 1 118 . 1 1 16 16 SER N N 15 119.442 0.300 . 1 . . . . 16 SER N . 10286 1 119 . 1 1 17 17 ASP H H 1 8.947 0.030 . 1 . . . . 17 ASP H . 10286 1 120 . 1 1 17 17 ASP HA H 1 4.386 0.030 . 1 . . . . 17 ASP HA . 10286 1 121 . 1 1 17 17 ASP HB2 H 1 2.705 0.030 . 1 . . . . 17 ASP HB2 . 10286 1 122 . 1 1 17 17 ASP HB3 H 1 2.705 0.030 . 1 . . . . 17 ASP HB3 . 10286 1 123 . 1 1 17 17 ASP C C 13 179.331 0.300 . 1 . . . . 17 ASP C . 10286 1 124 . 1 1 17 17 ASP CA C 13 58.074 0.300 . 1 . . . . 17 ASP CA . 10286 1 125 . 1 1 17 17 ASP CB C 13 39.875 0.300 . 1 . . . . 17 ASP CB . 10286 1 126 . 1 1 17 17 ASP N N 15 120.645 0.300 . 1 . . . . 17 ASP N . 10286 1 127 . 1 1 18 18 ARG H H 1 8.302 0.030 . 1 . . . . 18 ARG H . 10286 1 128 . 1 1 18 18 ARG HA H 1 4.098 0.030 . 1 . . . . 18 ARG HA . 10286 1 129 . 1 1 18 18 ARG HB2 H 1 1.780 0.030 . 2 . . . . 18 ARG HB2 . 10286 1 130 . 1 1 18 18 ARG HB3 H 1 1.856 0.030 . 2 . . . . 18 ARG HB3 . 10286 1 131 . 1 1 18 18 ARG HD2 H 1 3.209 0.030 . 1 . . . . 18 ARG HD2 . 10286 1 132 . 1 1 18 18 ARG HD3 H 1 3.209 0.030 . 1 . . . . 18 ARG HD3 . 10286 1 133 . 1 1 18 18 ARG HG2 H 1 1.643 0.030 . 1 . . . . 18 ARG HG2 . 10286 1 134 . 1 1 18 18 ARG HG3 H 1 1.643 0.030 . 1 . . . . 18 ARG HG3 . 10286 1 135 . 1 1 18 18 ARG C C 13 178.699 0.300 . 1 . . . . 18 ARG C . 10286 1 136 . 1 1 18 18 ARG CA C 13 59.203 0.300 . 1 . . . . 18 ARG CA . 10286 1 137 . 1 1 18 18 ARG CB C 13 29.920 0.300 . 1 . . . . 18 ARG CB . 10286 1 138 . 1 1 18 18 ARG CD C 13 43.384 0.300 . 1 . . . . 18 ARG CD . 10286 1 139 . 1 1 18 18 ARG CG C 13 26.780 0.300 . 1 . . . . 18 ARG CG . 10286 1 140 . 1 1 18 18 ARG N N 15 121.398 0.300 . 1 . . . . 18 ARG N . 10286 1 141 . 1 1 19 19 ASP H H 1 7.853 0.030 . 1 . . . . 19 ASP H . 10286 1 142 . 1 1 19 19 ASP HA H 1 4.151 0.030 . 1 . . . . 19 ASP HA . 10286 1 143 . 1 1 19 19 ASP HB2 H 1 2.403 0.030 . 2 . . . . 19 ASP HB2 . 10286 1 144 . 1 1 19 19 ASP HB3 H 1 3.114 0.030 . 2 . . . . 19 ASP HB3 . 10286 1 145 . 1 1 19 19 ASP C C 13 178.384 0.300 . 1 . . . . 19 ASP C . 10286 1 146 . 1 1 19 19 ASP CA C 13 57.348 0.300 . 1 . . . . 19 ASP CA . 10286 1 147 . 1 1 19 19 ASP CB C 13 40.392 0.300 . 1 . . . . 19 ASP CB . 10286 1 148 . 1 1 19 19 ASP N N 15 122.636 0.300 . 1 . . . . 19 ASP N . 10286 1 149 . 1 1 20 20 LEU H H 1 8.335 0.030 . 1 . . . . 20 LEU H . 10286 1 150 . 1 1 20 20 LEU HA H 1 3.635 0.030 . 1 . . . . 20 LEU HA . 10286 1 151 . 1 1 20 20 LEU HB2 H 1 1.512 0.030 . 2 . . . . 20 LEU HB2 . 10286 1 152 . 1 1 20 20 LEU HB3 H 1 1.843 0.030 . 2 . . . . 20 LEU HB3 . 10286 1 153 . 1 1 20 20 LEU HD11 H 1 1.001 0.030 . 1 . . . . 20 LEU HD1 . 10286 1 154 . 1 1 20 20 LEU HD12 H 1 1.001 0.030 . 1 . . . . 20 LEU HD1 . 10286 1 155 . 1 1 20 20 LEU HD13 H 1 1.001 0.030 . 1 . . . . 20 LEU HD1 . 10286 1 156 . 1 1 20 20 LEU HD21 H 1 0.896 0.030 . 1 . . . . 20 LEU HD2 . 10286 1 157 . 1 1 20 20 LEU HD22 H 1 0.896 0.030 . 1 . . . . 20 LEU HD2 . 10286 1 158 . 1 1 20 20 LEU HD23 H 1 0.896 0.030 . 1 . . . . 20 LEU HD2 . 10286 1 159 . 1 1 20 20 LEU HG H 1 1.695 0.030 . 1 . . . . 20 LEU HG . 10286 1 160 . 1 1 20 20 LEU C C 13 179.234 0.300 . 1 . . . . 20 LEU C . 10286 1 161 . 1 1 20 20 LEU CA C 13 57.587 0.300 . 1 . . . . 20 LEU CA . 10286 1 162 . 1 1 20 20 LEU CB C 13 41.658 0.300 . 1 . . . . 20 LEU CB . 10286 1 163 . 1 1 20 20 LEU CD1 C 13 25.243 0.300 . 2 . . . . 20 LEU CD1 . 10286 1 164 . 1 1 20 20 LEU CD2 C 13 23.600 0.300 . 2 . . . . 20 LEU CD2 . 10286 1 165 . 1 1 20 20 LEU CG C 13 26.946 0.300 . 1 . . . . 20 LEU CG . 10286 1 166 . 1 1 20 20 LEU N N 15 118.845 0.300 . 1 . . . . 20 LEU N . 10286 1 167 . 1 1 21 21 ALA H H 1 7.905 0.030 . 1 . . . . 21 ALA H . 10286 1 168 . 1 1 21 21 ALA HA H 1 4.123 0.030 . 1 . . . . 21 ALA HA . 10286 1 169 . 1 1 21 21 ALA HB1 H 1 1.537 0.030 . 1 . . . . 21 ALA HB . 10286 1 170 . 1 1 21 21 ALA HB2 H 1 1.537 0.030 . 1 . . . . 21 ALA HB . 10286 1 171 . 1 1 21 21 ALA HB3 H 1 1.537 0.030 . 1 . . . . 21 ALA HB . 10286 1 172 . 1 1 21 21 ALA C C 13 181.031 0.300 . 1 . . . . 21 ALA C . 10286 1 173 . 1 1 21 21 ALA CA C 13 55.103 0.300 . 1 . . . . 21 ALA CA . 10286 1 174 . 1 1 21 21 ALA CB C 13 17.709 0.300 . 1 . . . . 21 ALA CB . 10286 1 175 . 1 1 21 21 ALA N N 15 122.007 0.300 . 1 . . . . 21 ALA N . 10286 1 176 . 1 1 22 22 THR H H 1 7.886 0.030 . 1 . . . . 22 THR H . 10286 1 177 . 1 1 22 22 THR HA H 1 3.954 0.030 . 1 . . . . 22 THR HA . 10286 1 178 . 1 1 22 22 THR HB H 1 4.337 0.030 . 1 . . . . 22 THR HB . 10286 1 179 . 1 1 22 22 THR HG21 H 1 1.200 0.030 . 1 . . . . 22 THR HG2 . 10286 1 180 . 1 1 22 22 THR HG22 H 1 1.200 0.030 . 1 . . . . 22 THR HG2 . 10286 1 181 . 1 1 22 22 THR HG23 H 1 1.200 0.030 . 1 . . . . 22 THR HG2 . 10286 1 182 . 1 1 22 22 THR C C 13 175.834 0.300 . 1 . . . . 22 THR C . 10286 1 183 . 1 1 22 22 THR CA C 13 67.081 0.300 . 1 . . . . 22 THR CA . 10286 1 184 . 1 1 22 22 THR CB C 13 68.253 0.300 . 1 . . . . 22 THR CB . 10286 1 185 . 1 1 22 22 THR CG2 C 13 22.538 0.300 . 1 . . . . 22 THR CG2 . 10286 1 186 . 1 1 22 22 THR N N 15 119.042 0.300 . 1 . . . . 22 THR N . 10286 1 187 . 1 1 23 23 LEU H H 1 8.036 0.030 . 1 . . . . 23 LEU H . 10286 1 188 . 1 1 23 23 LEU HA H 1 3.404 0.030 . 1 . . . . 23 LEU HA . 10286 1 189 . 1 1 23 23 LEU HB2 H 1 -0.814 0.030 . 2 . . . . 23 LEU HB2 . 10286 1 190 . 1 1 23 23 LEU HB3 H 1 0.740 0.030 . 2 . . . . 23 LEU HB3 . 10286 1 191 . 1 1 23 23 LEU HD11 H 1 -1.150 0.030 . 1 . . . . 23 LEU HD1 . 10286 1 192 . 1 1 23 23 LEU HD12 H 1 -1.150 0.030 . 1 . . . . 23 LEU HD1 . 10286 1 193 . 1 1 23 23 LEU HD13 H 1 -1.150 0.030 . 1 . . . . 23 LEU HD1 . 10286 1 194 . 1 1 23 23 LEU HD21 H 1 0.036 0.030 . 1 . . . . 23 LEU HD2 . 10286 1 195 . 1 1 23 23 LEU HD22 H 1 0.036 0.030 . 1 . . . . 23 LEU HD2 . 10286 1 196 . 1 1 23 23 LEU HD23 H 1 0.036 0.030 . 1 . . . . 23 LEU HD2 . 10286 1 197 . 1 1 23 23 LEU HG H 1 0.749 0.030 . 1 . . . . 23 LEU HG . 10286 1 198 . 1 1 23 23 LEU C C 13 178.335 0.300 . 1 . . . . 23 LEU C . 10286 1 199 . 1 1 23 23 LEU CA C 13 59.230 0.300 . 1 . . . . 23 LEU CA . 10286 1 200 . 1 1 23 23 LEU CB C 13 39.399 0.300 . 1 . . . . 23 LEU CB . 10286 1 201 . 1 1 23 23 LEU CD1 C 13 23.129 0.300 . 2 . . . . 23 LEU CD1 . 10286 1 202 . 1 1 23 23 LEU CD2 C 13 23.170 0.300 . 2 . . . . 23 LEU CD2 . 10286 1 203 . 1 1 23 23 LEU CG C 13 26.140 0.300 . 1 . . . . 23 LEU CG . 10286 1 204 . 1 1 23 23 LEU N N 15 123.450 0.300 . 1 . . . . 23 LEU N . 10286 1 205 . 1 1 24 24 LYS H H 1 8.166 0.030 . 1 . . . . 24 LYS H . 10286 1 206 . 1 1 24 24 LYS HA H 1 4.074 0.030 . 1 . . . . 24 LYS HA . 10286 1 207 . 1 1 24 24 LYS HB2 H 1 2.044 0.030 . 2 . . . . 24 LYS HB2 . 10286 1 208 . 1 1 24 24 LYS HB3 H 1 1.979 0.030 . 2 . . . . 24 LYS HB3 . 10286 1 209 . 1 1 24 24 LYS HD2 H 1 1.824 0.030 . 2 . . . . 24 LYS HD2 . 10286 1 210 . 1 1 24 24 LYS HD3 H 1 1.663 0.030 . 2 . . . . 24 LYS HD3 . 10286 1 211 . 1 1 24 24 LYS HE2 H 1 3.007 0.030 . 2 . . . . 24 LYS HE2 . 10286 1 212 . 1 1 24 24 LYS HE3 H 1 3.064 0.030 . 2 . . . . 24 LYS HE3 . 10286 1 213 . 1 1 24 24 LYS HG2 H 1 1.650 0.030 . 2 . . . . 24 LYS HG2 . 10286 1 214 . 1 1 24 24 LYS HG3 H 1 1.499 0.030 . 2 . . . . 24 LYS HG3 . 10286 1 215 . 1 1 24 24 LYS C C 13 177.631 0.300 . 1 . . . . 24 LYS C . 10286 1 216 . 1 1 24 24 LYS CA C 13 60.367 0.300 . 1 . . . . 24 LYS CA . 10286 1 217 . 1 1 24 24 LYS CB C 13 32.554 0.300 . 1 . . . . 24 LYS CB . 10286 1 218 . 1 1 24 24 LYS CD C 13 29.425 0.300 . 1 . . . . 24 LYS CD . 10286 1 219 . 1 1 24 24 LYS CE C 13 42.449 0.300 . 1 . . . . 24 LYS CE . 10286 1 220 . 1 1 24 24 LYS CG C 13 26.131 0.300 . 1 . . . . 24 LYS CG . 10286 1 221 . 1 1 24 24 LYS N N 15 117.974 0.300 . 1 . . . . 24 LYS N . 10286 1 222 . 1 1 25 25 LYS H H 1 7.837 0.030 . 1 . . . . 25 LYS H . 10286 1 223 . 1 1 25 25 LYS HA H 1 4.205 0.030 . 1 . . . . 25 LYS HA . 10286 1 224 . 1 1 25 25 LYS HB2 H 1 2.004 0.030 . 2 . . . . 25 LYS HB2 . 10286 1 225 . 1 1 25 25 LYS HB3 H 1 2.187 0.030 . 2 . . . . 25 LYS HB3 . 10286 1 226 . 1 1 25 25 LYS HD2 H 1 1.692 0.030 . 2 . . . . 25 LYS HD2 . 10286 1 227 . 1 1 25 25 LYS HD3 H 1 1.662 0.030 . 2 . . . . 25 LYS HD3 . 10286 1 228 . 1 1 25 25 LYS HE2 H 1 2.855 0.030 . 2 . . . . 25 LYS HE2 . 10286 1 229 . 1 1 25 25 LYS HE3 H 1 2.932 0.030 . 2 . . . . 25 LYS HE3 . 10286 1 230 . 1 1 25 25 LYS HG2 H 1 1.546 0.030 . 2 . . . . 25 LYS HG2 . 10286 1 231 . 1 1 25 25 LYS HG3 H 1 1.240 0.030 . 2 . . . . 25 LYS HG3 . 10286 1 232 . 1 1 25 25 LYS C C 13 179.695 0.300 . 1 . . . . 25 LYS C . 10286 1 233 . 1 1 25 25 LYS CA C 13 59.704 0.300 . 1 . . . . 25 LYS CA . 10286 1 234 . 1 1 25 25 LYS CB C 13 31.816 0.300 . 1 . . . . 25 LYS CB . 10286 1 235 . 1 1 25 25 LYS CD C 13 29.590 0.300 . 1 . . . . 25 LYS CD . 10286 1 236 . 1 1 25 25 LYS CE C 13 41.955 0.300 . 1 . . . . 25 LYS CE . 10286 1 237 . 1 1 25 25 LYS CG C 13 24.577 0.300 . 1 . . . . 25 LYS CG . 10286 1 238 . 1 1 25 25 LYS N N 15 120.567 0.300 . 1 . . . . 25 LYS N . 10286 1 239 . 1 1 26 26 TYR H H 1 8.158 0.030 . 1 . . . . 26 TYR H . 10286 1 240 . 1 1 26 26 TYR HA H 1 4.089 0.030 . 1 . . . . 26 TYR HA . 10286 1 241 . 1 1 26 26 TYR HB2 H 1 3.368 0.030 . 2 . . . . 26 TYR HB2 . 10286 1 242 . 1 1 26 26 TYR HB3 H 1 3.127 0.030 . 2 . . . . 26 TYR HB3 . 10286 1 243 . 1 1 26 26 TYR HD1 H 1 7.349 0.030 . 1 . . . . 26 TYR HD1 . 10286 1 244 . 1 1 26 26 TYR HD2 H 1 7.349 0.030 . 1 . . . . 26 TYR HD2 . 10286 1 245 . 1 1 26 26 TYR HE1 H 1 6.831 0.030 . 1 . . . . 26 TYR HE1 . 10286 1 246 . 1 1 26 26 TYR HE2 H 1 6.831 0.030 . 1 . . . . 26 TYR HE2 . 10286 1 247 . 1 1 26 26 TYR C C 13 180.035 0.300 . 1 . . . . 26 TYR C . 10286 1 248 . 1 1 26 26 TYR CA C 13 63.104 0.300 . 1 . . . . 26 TYR CA . 10286 1 249 . 1 1 26 26 TYR CB C 13 36.926 0.300 . 1 . . . . 26 TYR CB . 10286 1 250 . 1 1 26 26 TYR CD1 C 13 133.451 0.300 . 1 . . . . 26 TYR CD1 . 10286 1 251 . 1 1 26 26 TYR CD2 C 13 133.451 0.300 . 1 . . . . 26 TYR CD2 . 10286 1 252 . 1 1 26 26 TYR CE1 C 13 118.340 0.300 . 1 . . . . 26 TYR CE1 . 10286 1 253 . 1 1 26 26 TYR CE2 C 13 118.340 0.300 . 1 . . . . 26 TYR CE2 . 10286 1 254 . 1 1 26 26 TYR N N 15 118.591 0.300 . 1 . . . . 26 TYR N . 10286 1 255 . 1 1 27 27 TRP H H 1 9.294 0.030 . 1 . . . . 27 TRP H . 10286 1 256 . 1 1 27 27 TRP HA H 1 4.349 0.030 . 1 . . . . 27 TRP HA . 10286 1 257 . 1 1 27 27 TRP HB2 H 1 3.678 0.030 . 2 . . . . 27 TRP HB2 . 10286 1 258 . 1 1 27 27 TRP HB3 H 1 3.928 0.030 . 2 . . . . 27 TRP HB3 . 10286 1 259 . 1 1 27 27 TRP HD1 H 1 7.694 0.030 . 1 . . . . 27 TRP HD1 . 10286 1 260 . 1 1 27 27 TRP HE1 H 1 10.173 0.030 . 1 . . . . 27 TRP HE1 . 10286 1 261 . 1 1 27 27 TRP HE3 H 1 7.943 0.030 . 1 . . . . 27 TRP HE3 . 10286 1 262 . 1 1 27 27 TRP HH2 H 1 6.700 0.030 . 1 . . . . 27 TRP HH2 . 10286 1 263 . 1 1 27 27 TRP HZ2 H 1 6.979 0.030 . 1 . . . . 27 TRP HZ2 . 10286 1 264 . 1 1 27 27 TRP HZ3 H 1 7.030 0.030 . 1 . . . . 27 TRP HZ3 . 10286 1 265 . 1 1 27 27 TRP C C 13 179.209 0.300 . 1 . . . . 27 TRP C . 10286 1 266 . 1 1 27 27 TRP CA C 13 61.357 0.300 . 1 . . . . 27 TRP CA . 10286 1 267 . 1 1 27 27 TRP CB C 13 28.481 0.300 . 1 . . . . 27 TRP CB . 10286 1 268 . 1 1 27 27 TRP CD1 C 13 128.621 0.300 . 1 . . . . 27 TRP CD1 . 10286 1 269 . 1 1 27 27 TRP CE3 C 13 122.058 0.300 . 1 . . . . 27 TRP CE3 . 10286 1 270 . 1 1 27 27 TRP CH2 C 13 123.842 0.300 . 1 . . . . 27 TRP CH2 . 10286 1 271 . 1 1 27 27 TRP CZ2 C 13 114.635 0.300 . 1 . . . . 27 TRP CZ2 . 10286 1 272 . 1 1 27 27 TRP CZ3 C 13 121.931 0.300 . 1 . . . . 27 TRP CZ3 . 10286 1 273 . 1 1 27 27 TRP N N 15 125.036 0.300 . 1 . . . . 27 TRP N . 10286 1 274 . 1 1 27 27 TRP NE1 N 15 130.989 0.300 . 1 . . . . 27 TRP NE1 . 10286 1 275 . 1 1 28 28 ASP H H 1 9.354 0.030 . 1 . . . . 28 ASP H . 10286 1 276 . 1 1 28 28 ASP HA H 1 4.479 0.030 . 1 . . . . 28 ASP HA . 10286 1 277 . 1 1 28 28 ASP HB2 H 1 2.939 0.030 . 2 . . . . 28 ASP HB2 . 10286 1 278 . 1 1 28 28 ASP HB3 H 1 2.755 0.030 . 2 . . . . 28 ASP HB3 . 10286 1 279 . 1 1 28 28 ASP C C 13 176.999 0.300 . 1 . . . . 28 ASP C . 10286 1 280 . 1 1 28 28 ASP CA C 13 57.024 0.300 . 1 . . . . 28 ASP CA . 10286 1 281 . 1 1 28 28 ASP CB C 13 39.894 0.300 . 1 . . . . 28 ASP CB . 10286 1 282 . 1 1 28 28 ASP N N 15 121.650 0.300 . 1 . . . . 28 ASP N . 10286 1 283 . 1 1 29 29 ASN H H 1 7.569 0.030 . 1 . . . . 29 ASN H . 10286 1 284 . 1 1 29 29 ASN HA H 1 4.905 0.030 . 1 . . . . 29 ASN HA . 10286 1 285 . 1 1 29 29 ASN HB2 H 1 2.639 0.030 . 2 . . . . 29 ASN HB2 . 10286 1 286 . 1 1 29 29 ASN HB3 H 1 3.001 0.030 . 2 . . . . 29 ASN HB3 . 10286 1 287 . 1 1 29 29 ASN HD21 H 1 7.452 0.030 . 2 . . . . 29 ASN HD21 . 10286 1 288 . 1 1 29 29 ASN HD22 H 1 6.887 0.030 . 2 . . . . 29 ASN HD22 . 10286 1 289 . 1 1 29 29 ASN C C 13 174.935 0.300 . 1 . . . . 29 ASN C . 10286 1 290 . 1 1 29 29 ASN CA C 13 52.819 0.300 . 1 . . . . 29 ASN CA . 10286 1 291 . 1 1 29 29 ASN CB C 13 39.320 0.300 . 1 . . . . 29 ASN CB . 10286 1 292 . 1 1 29 29 ASN N N 15 116.912 0.300 . 1 . . . . 29 ASN N . 10286 1 293 . 1 1 29 29 ASN ND2 N 15 112.365 0.300 . 1 . . . . 29 ASN ND2 . 10286 1 294 . 1 1 30 30 GLY H H 1 7.695 0.030 . 1 . . . . 30 GLY H . 10286 1 295 . 1 1 30 30 GLY HA2 H 1 3.603 0.030 . 2 . . . . 30 GLY HA2 . 10286 1 296 . 1 1 30 30 GLY HA3 H 1 4.489 0.030 . 2 . . . . 30 GLY HA3 . 10286 1 297 . 1 1 30 30 GLY C C 13 174.571 0.300 . 1 . . . . 30 GLY C . 10286 1 298 . 1 1 30 30 GLY CA C 13 45.332 0.300 . 1 . . . . 30 GLY CA . 10286 1 299 . 1 1 30 30 GLY N N 15 105.356 0.300 . 1 . . . . 30 GLY N . 10286 1 300 . 1 1 31 31 MET H H 1 8.574 0.030 . 1 . . . . 31 MET H . 10286 1 301 . 1 1 31 31 MET HA H 1 4.769 0.030 . 1 . . . . 31 MET HA . 10286 1 302 . 1 1 31 31 MET HB2 H 1 1.693 0.030 . 2 . . . . 31 MET HB2 . 10286 1 303 . 1 1 31 31 MET HB3 H 1 2.475 0.030 . 2 . . . . 31 MET HB3 . 10286 1 304 . 1 1 31 31 MET HE1 H 1 2.267 0.030 . 1 . . . . 31 MET HE . 10286 1 305 . 1 1 31 31 MET HE2 H 1 2.267 0.030 . 1 . . . . 31 MET HE . 10286 1 306 . 1 1 31 31 MET HE3 H 1 2.267 0.030 . 1 . . . . 31 MET HE . 10286 1 307 . 1 1 31 31 MET HG2 H 1 2.249 0.030 . 2 . . . . 31 MET HG2 . 10286 1 308 . 1 1 31 31 MET HG3 H 1 2.547 0.030 . 2 . . . . 31 MET HG3 . 10286 1 309 . 1 1 31 31 MET C C 13 173.381 0.300 . 1 . . . . 31 MET C . 10286 1 310 . 1 1 31 31 MET CA C 13 54.301 0.300 . 1 . . . . 31 MET CA . 10286 1 311 . 1 1 31 31 MET CB C 13 31.899 0.300 . 1 . . . . 31 MET CB . 10286 1 312 . 1 1 31 31 MET CE C 13 16.328 0.300 . 1 . . . . 31 MET CE . 10286 1 313 . 1 1 31 31 MET CG C 13 32.362 0.300 . 1 . . . . 31 MET CG . 10286 1 314 . 1 1 31 31 MET N N 15 125.209 0.300 . 1 . . . . 31 MET N . 10286 1 315 . 1 1 32 32 THR H H 1 7.284 0.030 . 1 . . . . 32 THR H . 10286 1 316 . 1 1 32 32 THR HA H 1 4.003 0.030 . 1 . . . . 32 THR HA . 10286 1 317 . 1 1 32 32 THR HB H 1 3.571 0.030 . 1 . . . . 32 THR HB . 10286 1 318 . 1 1 32 32 THR HG21 H 1 -0.286 0.030 . 1 . . . . 32 THR HG2 . 10286 1 319 . 1 1 32 32 THR HG22 H 1 -0.286 0.030 . 1 . . . . 32 THR HG2 . 10286 1 320 . 1 1 32 32 THR HG23 H 1 -0.286 0.030 . 1 . . . . 32 THR HG2 . 10286 1 321 . 1 1 32 32 THR C C 13 173.721 0.300 . 1 . . . . 32 THR C . 10286 1 322 . 1 1 32 32 THR CA C 13 59.873 0.300 . 1 . . . . 32 THR CA . 10286 1 323 . 1 1 32 32 THR CB C 13 69.651 0.300 . 1 . . . . 32 THR CB . 10286 1 324 . 1 1 32 32 THR CG2 C 13 20.523 0.300 . 1 . . . . 32 THR CG2 . 10286 1 325 . 1 1 32 32 THR N N 15 108.409 0.300 . 1 . . . . 32 THR N . 10286 1 326 . 1 1 33 33 SER H H 1 7.809 0.030 . 1 . . . . 33 SER H . 10286 1 327 . 1 1 33 33 SER HA H 1 4.614 0.030 . 1 . . . . 33 SER HA . 10286 1 328 . 1 1 33 33 SER HB2 H 1 3.699 0.030 . 2 . . . . 33 SER HB2 . 10286 1 329 . 1 1 33 33 SER HB3 H 1 3.943 0.030 . 2 . . . . 33 SER HB3 . 10286 1 330 . 1 1 33 33 SER C C 13 171.608 0.300 . 1 . . . . 33 SER C . 10286 1 331 . 1 1 33 33 SER CA C 13 56.764 0.300 . 1 . . . . 33 SER CA . 10286 1 332 . 1 1 33 33 SER CB C 13 65.653 0.300 . 1 . . . . 33 SER CB . 10286 1 333 . 1 1 33 33 SER N N 15 115.742 0.300 . 1 . . . . 33 SER N . 10286 1 334 . 1 1 34 34 LEU H H 1 8.284 0.030 . 1 . . . . 34 LEU H . 10286 1 335 . 1 1 34 34 LEU HA H 1 4.488 0.030 . 1 . . . . 34 LEU HA . 10286 1 336 . 1 1 34 34 LEU HB2 H 1 1.681 0.030 . 2 . . . . 34 LEU HB2 . 10286 1 337 . 1 1 34 34 LEU HB3 H 1 1.745 0.030 . 2 . . . . 34 LEU HB3 . 10286 1 338 . 1 1 34 34 LEU HD11 H 1 0.963 0.030 . 1 . . . . 34 LEU HD1 . 10286 1 339 . 1 1 34 34 LEU HD12 H 1 0.963 0.030 . 1 . . . . 34 LEU HD1 . 10286 1 340 . 1 1 34 34 LEU HD13 H 1 0.963 0.030 . 1 . . . . 34 LEU HD1 . 10286 1 341 . 1 1 34 34 LEU HD21 H 1 0.977 0.030 . 1 . . . . 34 LEU HD2 . 10286 1 342 . 1 1 34 34 LEU HD22 H 1 0.977 0.030 . 1 . . . . 34 LEU HD2 . 10286 1 343 . 1 1 34 34 LEU HD23 H 1 0.977 0.030 . 1 . . . . 34 LEU HD2 . 10286 1 344 . 1 1 34 34 LEU HG H 1 1.617 0.030 . 1 . . . . 34 LEU HG . 10286 1 345 . 1 1 34 34 LEU C C 13 178.335 0.300 . 1 . . . . 34 LEU C . 10286 1 346 . 1 1 34 34 LEU CA C 13 54.583 0.300 . 1 . . . . 34 LEU CA . 10286 1 347 . 1 1 34 34 LEU CB C 13 41.872 0.300 . 1 . . . . 34 LEU CB . 10286 1 348 . 1 1 34 34 LEU CD1 C 13 24.973 0.300 . 2 . . . . 34 LEU CD1 . 10286 1 349 . 1 1 34 34 LEU CD2 C 13 24.657 0.300 . 2 . . . . 34 LEU CD2 . 10286 1 350 . 1 1 34 34 LEU CG C 13 28.023 0.300 . 1 . . . . 34 LEU CG . 10286 1 351 . 1 1 34 34 LEU N N 15 116.566 0.300 . 1 . . . . 34 LEU N . 10286 1 352 . 1 1 35 35 GLY H H 1 8.159 0.030 . 1 . . . . 35 GLY H . 10286 1 353 . 1 1 35 35 GLY HA2 H 1 4.239 0.030 . 2 . . . . 35 GLY HA2 . 10286 1 354 . 1 1 35 35 GLY HA3 H 1 3.949 0.030 . 2 . . . . 35 GLY HA3 . 10286 1 355 . 1 1 35 35 GLY C C 13 175.299 0.300 . 1 . . . . 35 GLY C . 10286 1 356 . 1 1 35 35 GLY CA C 13 44.707 0.300 . 1 . . . . 35 GLY CA . 10286 1 357 . 1 1 35 35 GLY N N 15 106.688 0.300 . 1 . . . . 35 GLY N . 10286 1 358 . 1 1 36 36 SER HA H 1 4.123 0.030 . 1 . . . . 36 SER HA . 10286 1 359 . 1 1 36 36 SER HB2 H 1 3.993 0.030 . 2 . . . . 36 SER HB2 . 10286 1 360 . 1 1 36 36 SER CA C 13 61.785 0.300 . 1 . . . . 36 SER CA . 10286 1 361 . 1 1 36 36 SER CB C 13 62.793 0.300 . 1 . . . . 36 SER CB . 10286 1 362 . 1 1 37 37 VAL HA H 1 4.155 0.030 . 1 . . . . 37 VAL HA . 10286 1 363 . 1 1 37 37 VAL HB H 1 2.264 0.030 . 1 . . . . 37 VAL HB . 10286 1 364 . 1 1 37 37 VAL HG11 H 1 1.047 0.030 . 1 . . . . 37 VAL HG1 . 10286 1 365 . 1 1 37 37 VAL HG12 H 1 1.047 0.030 . 1 . . . . 37 VAL HG1 . 10286 1 366 . 1 1 37 37 VAL HG13 H 1 1.047 0.030 . 1 . . . . 37 VAL HG1 . 10286 1 367 . 1 1 37 37 VAL HG21 H 1 1.039 0.030 . 1 . . . . 37 VAL HG2 . 10286 1 368 . 1 1 37 37 VAL HG22 H 1 1.039 0.030 . 1 . . . . 37 VAL HG2 . 10286 1 369 . 1 1 37 37 VAL HG23 H 1 1.039 0.030 . 1 . . . . 37 VAL HG2 . 10286 1 370 . 1 1 37 37 VAL C C 13 177.048 0.300 . 1 . . . . 37 VAL C . 10286 1 371 . 1 1 37 37 VAL CA C 13 64.423 0.300 . 1 . . . . 37 VAL CA . 10286 1 372 . 1 1 37 37 VAL CB C 13 31.486 0.300 . 1 . . . . 37 VAL CB . 10286 1 373 . 1 1 37 37 VAL CG1 C 13 20.889 0.300 . 2 . . . . 37 VAL CG1 . 10286 1 374 . 1 1 37 37 VAL CG2 C 13 20.788 0.300 . 2 . . . . 37 VAL CG2 . 10286 1 375 . 1 1 38 38 CYS H H 1 7.746 0.030 . 1 . . . . 38 CYS H . 10286 1 376 . 1 1 38 38 CYS HA H 1 4.787 0.030 . 1 . . . . 38 CYS HA . 10286 1 377 . 1 1 38 38 CYS HB2 H 1 3.288 0.030 . 2 . . . . 38 CYS HB2 . 10286 1 378 . 1 1 38 38 CYS HB3 H 1 2.852 0.030 . 2 . . . . 38 CYS HB3 . 10286 1 379 . 1 1 38 38 CYS C C 13 174.522 0.300 . 1 . . . . 38 CYS C . 10286 1 380 . 1 1 38 38 CYS CA C 13 59.344 0.300 . 1 . . . . 38 CYS CA . 10286 1 381 . 1 1 38 38 CYS CB C 13 29.261 0.300 . 1 . . . . 38 CYS CB . 10286 1 382 . 1 1 38 38 CYS N N 15 116.501 0.300 . 1 . . . . 38 CYS N . 10286 1 383 . 1 1 39 39 ARG H H 1 7.633 0.030 . 1 . . . . 39 ARG H . 10286 1 384 . 1 1 39 39 ARG HA H 1 3.847 0.030 . 1 . . . . 39 ARG HA . 10286 1 385 . 1 1 39 39 ARG HB2 H 1 2.036 0.030 . 2 . . . . 39 ARG HB2 . 10286 1 386 . 1 1 39 39 ARG HB3 H 1 1.907 0.030 . 2 . . . . 39 ARG HB3 . 10286 1 387 . 1 1 39 39 ARG HD2 H 1 3.209 0.030 . 2 . . . . 39 ARG HD2 . 10286 1 388 . 1 1 39 39 ARG HG2 H 1 1.575 0.030 . 2 . . . . 39 ARG HG2 . 10286 1 389 . 1 1 39 39 ARG HG3 H 1 1.628 0.030 . 2 . . . . 39 ARG HG3 . 10286 1 390 . 1 1 39 39 ARG C C 13 177.315 0.300 . 1 . . . . 39 ARG C . 10286 1 391 . 1 1 39 39 ARG CA C 13 60.952 0.300 . 1 . . . . 39 ARG CA . 10286 1 392 . 1 1 39 39 ARG CB C 13 30.332 0.300 . 1 . . . . 39 ARG CB . 10286 1 393 . 1 1 39 39 ARG CD C 13 43.356 0.300 . 1 . . . . 39 ARG CD . 10286 1 394 . 1 1 39 39 ARG CG C 13 26.771 0.300 . 1 . . . . 39 ARG CG . 10286 1 395 . 1 1 39 39 ARG N N 15 122.520 0.300 . 1 . . . . 39 ARG N . 10286 1 396 . 1 1 40 40 GLU H H 1 8.827 0.030 . 1 . . . . 40 GLU H . 10286 1 397 . 1 1 40 40 GLU HA H 1 4.070 0.030 . 1 . . . . 40 GLU HA . 10286 1 398 . 1 1 40 40 GLU HB2 H 1 2.104 0.030 . 1 . . . . 40 GLU HB2 . 10286 1 399 . 1 1 40 40 GLU HB3 H 1 2.104 0.030 . 1 . . . . 40 GLU HB3 . 10286 1 400 . 1 1 40 40 GLU HG2 H 1 2.356 0.030 . 1 . . . . 40 GLU HG2 . 10286 1 401 . 1 1 40 40 GLU HG3 H 1 2.356 0.030 . 1 . . . . 40 GLU HG3 . 10286 1 402 . 1 1 40 40 GLU C C 13 179.719 0.300 . 1 . . . . 40 GLU C . 10286 1 403 . 1 1 40 40 GLU CA C 13 60.065 0.300 . 1 . . . . 40 GLU CA . 10286 1 404 . 1 1 40 40 GLU CB C 13 29.094 0.300 . 1 . . . . 40 GLU CB . 10286 1 405 . 1 1 40 40 GLU CG C 13 37.079 0.300 . 1 . . . . 40 GLU CG . 10286 1 406 . 1 1 40 40 GLU N N 15 116.909 0.300 . 1 . . . . 40 GLU N . 10286 1 407 . 1 1 41 41 LYS H H 1 7.660 0.030 . 1 . . . . 41 LYS H . 10286 1 408 . 1 1 41 41 LYS HA H 1 4.293 0.030 . 1 . . . . 41 LYS HA . 10286 1 409 . 1 1 41 41 LYS HB2 H 1 1.928 0.030 . 2 . . . . 41 LYS HB2 . 10286 1 410 . 1 1 41 41 LYS HB3 H 1 2.045 0.030 . 2 . . . . 41 LYS HB3 . 10286 1 411 . 1 1 41 41 LYS HD2 H 1 1.636 0.030 . 2 . . . . 41 LYS HD2 . 10286 1 412 . 1 1 41 41 LYS HD3 H 1 1.747 0.030 . 2 . . . . 41 LYS HD3 . 10286 1 413 . 1 1 41 41 LYS HE2 H 1 3.071 0.030 . 2 . . . . 41 LYS HE2 . 10286 1 414 . 1 1 41 41 LYS HG2 H 1 1.655 0.030 . 2 . . . . 41 LYS HG2 . 10286 1 415 . 1 1 41 41 LYS HG3 H 1 1.759 0.030 . 2 . . . . 41 LYS HG3 . 10286 1 416 . 1 1 41 41 LYS C C 13 176.854 0.300 . 1 . . . . 41 LYS C . 10286 1 417 . 1 1 41 41 LYS CA C 13 59.908 0.300 . 1 . . . . 41 LYS CA . 10286 1 418 . 1 1 41 41 LYS CB C 13 33.704 0.300 . 1 . . . . 41 LYS CB . 10286 1 419 . 1 1 41 41 LYS CD C 13 29.755 0.300 . 1 . . . . 41 LYS CD . 10286 1 420 . 1 1 41 41 LYS CE C 13 42.367 0.300 . 1 . . . . 41 LYS CE . 10286 1 421 . 1 1 41 41 LYS CG C 13 26.376 0.300 . 1 . . . . 41 LYS CG . 10286 1 422 . 1 1 41 41 LYS N N 15 120.497 0.300 . 1 . . . . 41 LYS N . 10286 1 423 . 1 1 42 42 ILE H H 1 8.050 0.030 . 1 . . . . 42 ILE H . 10286 1 424 . 1 1 42 42 ILE HA H 1 3.756 0.030 . 1 . . . . 42 ILE HA . 10286 1 425 . 1 1 42 42 ILE HB H 1 1.911 0.030 . 1 . . . . 42 ILE HB . 10286 1 426 . 1 1 42 42 ILE HD11 H 1 0.887 0.030 . 1 . . . . 42 ILE HD1 . 10286 1 427 . 1 1 42 42 ILE HD12 H 1 0.887 0.030 . 1 . . . . 42 ILE HD1 . 10286 1 428 . 1 1 42 42 ILE HD13 H 1 0.887 0.030 . 1 . . . . 42 ILE HD1 . 10286 1 429 . 1 1 42 42 ILE HG12 H 1 1.772 0.030 . 2 . . . . 42 ILE HG12 . 10286 1 430 . 1 1 42 42 ILE HG13 H 1 0.985 0.030 . 2 . . . . 42 ILE HG13 . 10286 1 431 . 1 1 42 42 ILE HG21 H 1 0.874 0.030 . 1 . . . . 42 ILE HG2 . 10286 1 432 . 1 1 42 42 ILE HG22 H 1 0.874 0.030 . 1 . . . . 42 ILE HG2 . 10286 1 433 . 1 1 42 42 ILE HG23 H 1 0.874 0.030 . 1 . . . . 42 ILE HG2 . 10286 1 434 . 1 1 42 42 ILE C C 13 177.607 0.300 . 1 . . . . 42 ILE C . 10286 1 435 . 1 1 42 42 ILE CA C 13 65.460 0.300 . 1 . . . . 42 ILE CA . 10286 1 436 . 1 1 42 42 ILE CB C 13 38.516 0.300 . 1 . . . . 42 ILE CB . 10286 1 437 . 1 1 42 42 ILE CD1 C 13 13.846 0.300 . 1 . . . . 42 ILE CD1 . 10286 1 438 . 1 1 42 42 ILE CG1 C 13 29.916 0.300 . 1 . . . . 42 ILE CG1 . 10286 1 439 . 1 1 42 42 ILE CG2 C 13 16.798 0.300 . 1 . . . . 42 ILE CG2 . 10286 1 440 . 1 1 42 42 ILE N N 15 119.276 0.300 . 1 . . . . 42 ILE N . 10286 1 441 . 1 1 43 43 GLU H H 1 8.142 0.030 . 1 . . . . 43 GLU H . 10286 1 442 . 1 1 43 43 GLU HA H 1 4.011 0.030 . 1 . . . . 43 GLU HA . 10286 1 443 . 1 1 43 43 GLU HB2 H 1 2.024 0.030 . 1 . . . . 43 GLU HB2 . 10286 1 444 . 1 1 43 43 GLU HB3 H 1 2.024 0.030 . 1 . . . . 43 GLU HB3 . 10286 1 445 . 1 1 43 43 GLU HG2 H 1 2.324 0.030 . 2 . . . . 43 GLU HG2 . 10286 1 446 . 1 1 43 43 GLU HG3 H 1 2.512 0.030 . 2 . . . . 43 GLU HG3 . 10286 1 447 . 1 1 43 43 GLU C C 13 179.477 0.300 . 1 . . . . 43 GLU C . 10286 1 448 . 1 1 43 43 GLU CA C 13 59.340 0.300 . 1 . . . . 43 GLU CA . 10286 1 449 . 1 1 43 43 GLU CB C 13 29.425 0.300 . 1 . . . . 43 GLU CB . 10286 1 450 . 1 1 43 43 GLU CG C 13 37.122 0.300 . 1 . . . . 43 GLU CG . 10286 1 451 . 1 1 43 43 GLU N N 15 116.432 0.300 . 1 . . . . 43 GLU N . 10286 1 452 . 1 1 44 44 ALA H H 1 8.053 0.030 . 1 . . . . 44 ALA H . 10286 1 453 . 1 1 44 44 ALA HA H 1 4.217 0.030 . 1 . . . . 44 ALA HA . 10286 1 454 . 1 1 44 44 ALA HB1 H 1 1.735 0.030 . 1 . . . . 44 ALA HB . 10286 1 455 . 1 1 44 44 ALA HB2 H 1 1.735 0.030 . 1 . . . . 44 ALA HB . 10286 1 456 . 1 1 44 44 ALA HB3 H 1 1.735 0.030 . 1 . . . . 44 ALA HB . 10286 1 457 . 1 1 44 44 ALA C C 13 180.958 0.300 . 1 . . . . 44 ALA C . 10286 1 458 . 1 1 44 44 ALA CA C 13 55.453 0.300 . 1 . . . . 44 ALA CA . 10286 1 459 . 1 1 44 44 ALA CB C 13 18.553 0.300 . 1 . . . . 44 ALA CB . 10286 1 460 . 1 1 44 44 ALA N N 15 122.819 0.300 . 1 . . . . 44 ALA N . 10286 1 461 . 1 1 45 45 VAL H H 1 8.400 0.030 . 1 . . . . 45 VAL H . 10286 1 462 . 1 1 45 45 VAL HA H 1 3.530 0.030 . 1 . . . . 45 VAL HA . 10286 1 463 . 1 1 45 45 VAL HB H 1 0.440 0.030 . 1 . . . . 45 VAL HB . 10286 1 464 . 1 1 45 45 VAL HG11 H 1 0.752 0.030 . 1 . . . . 45 VAL HG1 . 10286 1 465 . 1 1 45 45 VAL HG12 H 1 0.752 0.030 . 1 . . . . 45 VAL HG1 . 10286 1 466 . 1 1 45 45 VAL HG13 H 1 0.752 0.030 . 1 . . . . 45 VAL HG1 . 10286 1 467 . 1 1 45 45 VAL HG21 H 1 0.299 0.030 . 1 . . . . 45 VAL HG2 . 10286 1 468 . 1 1 45 45 VAL HG22 H 1 0.299 0.030 . 1 . . . . 45 VAL HG2 . 10286 1 469 . 1 1 45 45 VAL HG23 H 1 0.299 0.030 . 1 . . . . 45 VAL HG2 . 10286 1 470 . 1 1 45 45 VAL C C 13 176.465 0.300 . 1 . . . . 45 VAL C . 10286 1 471 . 1 1 45 45 VAL CA C 13 65.075 0.300 . 1 . . . . 45 VAL CA . 10286 1 472 . 1 1 45 45 VAL CB C 13 29.673 0.300 . 1 . . . . 45 VAL CB . 10286 1 473 . 1 1 45 45 VAL CG1 C 13 22.618 0.300 . 2 . . . . 45 VAL CG1 . 10286 1 474 . 1 1 45 45 VAL CG2 C 13 25.855 0.300 . 2 . . . . 45 VAL CG2 . 10286 1 475 . 1 1 45 45 VAL N N 15 120.862 0.300 . 1 . . . . 45 VAL N . 10286 1 476 . 1 1 46 46 ALA H H 1 8.225 0.030 . 1 . . . . 46 ALA H . 10286 1 477 . 1 1 46 46 ALA HA H 1 3.787 0.030 . 1 . . . . 46 ALA HA . 10286 1 478 . 1 1 46 46 ALA HB1 H 1 1.602 0.030 . 1 . . . . 46 ALA HB . 10286 1 479 . 1 1 46 46 ALA HB2 H 1 1.602 0.030 . 1 . . . . 46 ALA HB . 10286 1 480 . 1 1 46 46 ALA HB3 H 1 1.602 0.030 . 1 . . . . 46 ALA HB . 10286 1 481 . 1 1 46 46 ALA C C 13 180.205 0.300 . 1 . . . . 46 ALA C . 10286 1 482 . 1 1 46 46 ALA CA C 13 55.753 0.300 . 1 . . . . 46 ALA CA . 10286 1 483 . 1 1 46 46 ALA CB C 13 18.516 0.300 . 1 . . . . 46 ALA CB . 10286 1 484 . 1 1 46 46 ALA N N 15 125.827 0.300 . 1 . . . . 46 ALA N . 10286 1 485 . 1 1 47 47 THR H H 1 7.850 0.030 . 1 . . . . 47 THR H . 10286 1 486 . 1 1 47 47 THR HA H 1 4.084 0.030 . 1 . . . . 47 THR HA . 10286 1 487 . 1 1 47 47 THR HB H 1 4.361 0.030 . 1 . . . . 47 THR HB . 10286 1 488 . 1 1 47 47 THR HG21 H 1 1.272 0.030 . 1 . . . . 47 THR HG2 . 10286 1 489 . 1 1 47 47 THR HG22 H 1 1.272 0.030 . 1 . . . . 47 THR HG2 . 10286 1 490 . 1 1 47 47 THR HG23 H 1 1.272 0.030 . 1 . . . . 47 THR HG2 . 10286 1 491 . 1 1 47 47 THR C C 13 177.339 0.300 . 1 . . . . 47 THR C . 10286 1 492 . 1 1 47 47 THR CA C 13 66.492 0.300 . 1 . . . . 47 THR CA . 10286 1 493 . 1 1 47 47 THR CB C 13 68.772 0.300 . 1 . . . . 47 THR CB . 10286 1 494 . 1 1 47 47 THR CG2 C 13 21.513 0.300 . 1 . . . . 47 THR CG2 . 10286 1 495 . 1 1 47 47 THR N N 15 113.467 0.300 . 1 . . . . 47 THR N . 10286 1 496 . 1 1 48 48 GLU H H 1 8.050 0.030 . 1 . . . . 48 GLU H . 10286 1 497 . 1 1 48 48 GLU HA H 1 4.001 0.030 . 1 . . . . 48 GLU HA . 10286 1 498 . 1 1 48 48 GLU HB2 H 1 2.188 0.030 . 2 . . . . 48 GLU HB2 . 10286 1 499 . 1 1 48 48 GLU HB3 H 1 2.081 0.030 . 2 . . . . 48 GLU HB3 . 10286 1 500 . 1 1 48 48 GLU HG2 H 1 2.421 0.030 . 2 . . . . 48 GLU HG2 . 10286 1 501 . 1 1 48 48 GLU HG3 H 1 2.208 0.030 . 2 . . . . 48 GLU HG3 . 10286 1 502 . 1 1 48 48 GLU C C 13 178.457 0.300 . 1 . . . . 48 GLU C . 10286 1 503 . 1 1 48 48 GLU CA C 13 60.174 0.300 . 1 . . . . 48 GLU CA . 10286 1 504 . 1 1 48 48 GLU CB C 13 29.719 0.300 . 1 . . . . 48 GLU CB . 10286 1 505 . 1 1 48 48 GLU CG C 13 36.432 0.300 . 1 . . . . 48 GLU CG . 10286 1 506 . 1 1 48 48 GLU N N 15 123.295 0.300 . 1 . . . . 48 GLU N . 10286 1 507 . 1 1 49 49 LEU H H 1 8.198 0.030 . 1 . . . . 49 LEU H . 10286 1 508 . 1 1 49 49 LEU HA H 1 4.215 0.030 . 1 . . . . 49 LEU HA . 10286 1 509 . 1 1 49 49 LEU HB2 H 1 1.574 0.030 . 2 . . . . 49 LEU HB2 . 10286 1 510 . 1 1 49 49 LEU HB3 H 1 1.663 0.030 . 2 . . . . 49 LEU HB3 . 10286 1 511 . 1 1 49 49 LEU HD11 H 1 0.515 0.030 . 1 . . . . 49 LEU HD1 . 10286 1 512 . 1 1 49 49 LEU HD12 H 1 0.515 0.030 . 1 . . . . 49 LEU HD1 . 10286 1 513 . 1 1 49 49 LEU HD13 H 1 0.515 0.030 . 1 . . . . 49 LEU HD1 . 10286 1 514 . 1 1 49 49 LEU HD21 H 1 0.752 0.030 . 1 . . . . 49 LEU HD2 . 10286 1 515 . 1 1 49 49 LEU HD22 H 1 0.752 0.030 . 1 . . . . 49 LEU HD2 . 10286 1 516 . 1 1 49 49 LEU HD23 H 1 0.752 0.030 . 1 . . . . 49 LEU HD2 . 10286 1 517 . 1 1 49 49 LEU HG H 1 1.754 0.030 . 1 . . . . 49 LEU HG . 10286 1 518 . 1 1 49 49 LEU C C 13 176.344 0.300 . 1 . . . . 49 LEU C . 10286 1 519 . 1 1 49 49 LEU CA C 13 55.050 0.300 . 1 . . . . 49 LEU CA . 10286 1 520 . 1 1 49 49 LEU CB C 13 42.861 0.300 . 1 . . . . 49 LEU CB . 10286 1 521 . 1 1 49 49 LEU CD1 C 13 25.408 0.300 . 2 . . . . 49 LEU CD1 . 10286 1 522 . 1 1 49 49 LEU CD2 C 13 22.776 0.300 . 2 . . . . 49 LEU CD2 . 10286 1 523 . 1 1 49 49 LEU CG C 13 27.035 0.300 . 1 . . . . 49 LEU CG . 10286 1 524 . 1 1 49 49 LEU N N 15 115.963 0.300 . 1 . . . . 49 LEU N . 10286 1 525 . 1 1 50 50 ASN H H 1 8.008 0.030 . 1 . . . . 50 ASN H . 10286 1 526 . 1 1 50 50 ASN HA H 1 4.411 0.030 . 1 . . . . 50 ASN HA . 10286 1 527 . 1 1 50 50 ASN HB2 H 1 2.684 0.030 . 2 . . . . 50 ASN HB2 . 10286 1 528 . 1 1 50 50 ASN HB3 H 1 3.296 0.030 . 2 . . . . 50 ASN HB3 . 10286 1 529 . 1 1 50 50 ASN HD21 H 1 7.541 0.030 . 2 . . . . 50 ASN HD21 . 10286 1 530 . 1 1 50 50 ASN HD22 H 1 6.782 0.030 . 2 . . . . 50 ASN HD22 . 10286 1 531 . 1 1 50 50 ASN C C 13 174.522 0.300 . 1 . . . . 50 ASN C . 10286 1 532 . 1 1 50 50 ASN CA C 13 54.159 0.300 . 1 . . . . 50 ASN CA . 10286 1 533 . 1 1 50 50 ASN CB C 13 37.446 0.300 . 1 . . . . 50 ASN CB . 10286 1 534 . 1 1 50 50 ASN N N 15 118.398 0.300 . 1 . . . . 50 ASN N . 10286 1 535 . 1 1 50 50 ASN ND2 N 15 111.795 0.300 . 1 . . . . 50 ASN ND2 . 10286 1 536 . 1 1 51 51 VAL H H 1 8.240 0.030 . 1 . . . . 51 VAL H . 10286 1 537 . 1 1 51 51 VAL HA H 1 4.792 0.030 . 1 . . . . 51 VAL HA . 10286 1 538 . 1 1 51 51 VAL HB H 1 2.193 0.030 . 1 . . . . 51 VAL HB . 10286 1 539 . 1 1 51 51 VAL HG11 H 1 0.929 0.030 . 1 . . . . 51 VAL HG1 . 10286 1 540 . 1 1 51 51 VAL HG12 H 1 0.929 0.030 . 1 . . . . 51 VAL HG1 . 10286 1 541 . 1 1 51 51 VAL HG13 H 1 0.929 0.030 . 1 . . . . 51 VAL HG1 . 10286 1 542 . 1 1 51 51 VAL HG21 H 1 0.795 0.030 . 1 . . . . 51 VAL HG2 . 10286 1 543 . 1 1 51 51 VAL HG22 H 1 0.795 0.030 . 1 . . . . 51 VAL HG2 . 10286 1 544 . 1 1 51 51 VAL HG23 H 1 0.795 0.030 . 1 . . . . 51 VAL HG2 . 10286 1 545 . 1 1 51 51 VAL C C 13 174.619 0.300 . 1 . . . . 51 VAL C . 10286 1 546 . 1 1 51 51 VAL CA C 13 58.674 0.300 . 1 . . . . 51 VAL CA . 10286 1 547 . 1 1 51 51 VAL CB C 13 36.102 0.300 . 1 . . . . 51 VAL CB . 10286 1 548 . 1 1 51 51 VAL CG1 C 13 21.600 0.300 . 2 . . . . 51 VAL CG1 . 10286 1 549 . 1 1 51 51 VAL CG2 C 13 19.204 0.300 . 2 . . . . 51 VAL CG2 . 10286 1 550 . 1 1 51 51 VAL N N 15 110.142 0.300 . 1 . . . . 51 VAL N . 10286 1 551 . 1 1 52 52 ASP H H 1 8.164 0.030 . 1 . . . . 52 ASP H . 10286 1 552 . 1 1 52 52 ASP HA H 1 4.597 0.030 . 1 . . . . 52 ASP HA . 10286 1 553 . 1 1 52 52 ASP HB2 H 1 2.713 0.030 . 1 . . . . 52 ASP HB2 . 10286 1 554 . 1 1 52 52 ASP HB3 H 1 2.713 0.030 . 1 . . . . 52 ASP HB3 . 10286 1 555 . 1 1 52 52 ASP C C 13 178.262 0.300 . 1 . . . . 52 ASP C . 10286 1 556 . 1 1 52 52 ASP CA C 13 54.423 0.300 . 1 . . . . 52 ASP CA . 10286 1 557 . 1 1 52 52 ASP CB C 13 43.200 0.300 . 1 . . . . 52 ASP CB . 10286 1 558 . 1 1 52 52 ASP N N 15 120.019 0.300 . 1 . . . . 52 ASP N . 10286 1 559 . 1 1 53 53 CYS H H 1 8.967 0.030 . 1 . . . . 53 CYS H . 10286 1 560 . 1 1 53 53 CYS HA H 1 3.862 0.030 . 1 . . . . 53 CYS HA . 10286 1 561 . 1 1 53 53 CYS HB2 H 1 2.781 0.030 . 2 . . . . 53 CYS HB2 . 10286 1 562 . 1 1 53 53 CYS HB3 H 1 2.996 0.030 . 2 . . . . 53 CYS HB3 . 10286 1 563 . 1 1 53 53 CYS C C 13 176.975 0.300 . 1 . . . . 53 CYS C . 10286 1 564 . 1 1 53 53 CYS CA C 13 63.438 0.300 . 1 . . . . 53 CYS CA . 10286 1 565 . 1 1 53 53 CYS CB C 13 27.358 0.300 . 1 . . . . 53 CYS CB . 10286 1 566 . 1 1 53 53 CYS N N 15 122.121 0.300 . 1 . . . . 53 CYS N . 10286 1 567 . 1 1 54 54 GLU H H 1 9.357 0.030 . 1 . . . . 54 GLU H . 10286 1 568 . 1 1 54 54 GLU HA H 1 4.083 0.030 . 1 . . . . 54 GLU HA . 10286 1 569 . 1 1 54 54 GLU HB2 H 1 2.032 0.030 . 2 . . . . 54 GLU HB2 . 10286 1 570 . 1 1 54 54 GLU HB3 H 1 2.100 0.030 . 2 . . . . 54 GLU HB3 . 10286 1 571 . 1 1 54 54 GLU HG2 H 1 2.367 0.030 . 1 . . . . 54 GLU HG2 . 10286 1 572 . 1 1 54 54 GLU HG3 H 1 2.367 0.030 . 1 . . . . 54 GLU HG3 . 10286 1 573 . 1 1 54 54 GLU C C 13 179.064 0.300 . 1 . . . . 54 GLU C . 10286 1 574 . 1 1 54 54 GLU CA C 13 59.626 0.300 . 1 . . . . 54 GLU CA . 10286 1 575 . 1 1 54 54 GLU CB C 13 29.178 0.300 . 1 . . . . 54 GLU CB . 10286 1 576 . 1 1 54 54 GLU CG C 13 35.772 0.300 . 1 . . . . 54 GLU CG . 10286 1 577 . 1 1 54 54 GLU N N 15 120.121 0.300 . 1 . . . . 54 GLU N . 10286 1 578 . 1 1 55 55 ILE H H 1 7.650 0.030 . 1 . . . . 55 ILE H . 10286 1 579 . 1 1 55 55 ILE HA H 1 4.005 0.030 . 1 . . . . 55 ILE HA . 10286 1 580 . 1 1 55 55 ILE HB H 1 2.258 0.030 . 1 . . . . 55 ILE HB . 10286 1 581 . 1 1 55 55 ILE HD11 H 1 0.870 0.030 . 1 . . . . 55 ILE HD1 . 10286 1 582 . 1 1 55 55 ILE HD12 H 1 0.870 0.030 . 1 . . . . 55 ILE HD1 . 10286 1 583 . 1 1 55 55 ILE HD13 H 1 0.870 0.030 . 1 . . . . 55 ILE HD1 . 10286 1 584 . 1 1 55 55 ILE HG12 H 1 1.480 0.030 . 2 . . . . 55 ILE HG12 . 10286 1 585 . 1 1 55 55 ILE HG13 H 1 1.638 0.030 . 2 . . . . 55 ILE HG13 . 10286 1 586 . 1 1 55 55 ILE HG21 H 1 1.032 0.030 . 1 . . . . 55 ILE HG2 . 10286 1 587 . 1 1 55 55 ILE HG22 H 1 1.032 0.030 . 1 . . . . 55 ILE HG2 . 10286 1 588 . 1 1 55 55 ILE HG23 H 1 1.032 0.030 . 1 . . . . 55 ILE HG2 . 10286 1 589 . 1 1 55 55 ILE C C 13 179.331 0.300 . 1 . . . . 55 ILE C . 10286 1 590 . 1 1 55 55 ILE CA C 13 63.558 0.300 . 1 . . . . 55 ILE CA . 10286 1 591 . 1 1 55 55 ILE CB C 13 36.988 0.300 . 1 . . . . 55 ILE CB . 10286 1 592 . 1 1 55 55 ILE CD1 C 13 11.950 0.300 . 1 . . . . 55 ILE CD1 . 10286 1 593 . 1 1 55 55 ILE CG1 C 13 28.818 0.300 . 1 . . . . 55 ILE CG1 . 10286 1 594 . 1 1 55 55 ILE CG2 C 13 18.171 0.300 . 1 . . . . 55 ILE CG2 . 10286 1 595 . 1 1 55 55 ILE N N 15 119.061 0.300 . 1 . . . . 55 ILE N . 10286 1 596 . 1 1 56 56 VAL H H 1 6.973 0.030 . 1 . . . . 56 VAL H . 10286 1 597 . 1 1 56 56 VAL HA H 1 3.651 0.030 . 1 . . . . 56 VAL HA . 10286 1 598 . 1 1 56 56 VAL HB H 1 2.328 0.030 . 1 . . . . 56 VAL HB . 10286 1 599 . 1 1 56 56 VAL HG11 H 1 0.993 0.030 . 1 . . . . 56 VAL HG1 . 10286 1 600 . 1 1 56 56 VAL HG12 H 1 0.993 0.030 . 1 . . . . 56 VAL HG1 . 10286 1 601 . 1 1 56 56 VAL HG13 H 1 0.993 0.030 . 1 . . . . 56 VAL HG1 . 10286 1 602 . 1 1 56 56 VAL HG21 H 1 0.858 0.030 . 1 . . . . 56 VAL HG2 . 10286 1 603 . 1 1 56 56 VAL HG22 H 1 0.858 0.030 . 1 . . . . 56 VAL HG2 . 10286 1 604 . 1 1 56 56 VAL HG23 H 1 0.858 0.030 . 1 . . . . 56 VAL HG2 . 10286 1 605 . 1 1 56 56 VAL C C 13 177.874 0.300 . 1 . . . . 56 VAL C . 10286 1 606 . 1 1 56 56 VAL CA C 13 66.847 0.300 . 1 . . . . 56 VAL CA . 10286 1 607 . 1 1 56 56 VAL CB C 13 31.486 0.300 . 1 . . . . 56 VAL CB . 10286 1 608 . 1 1 56 56 VAL CG1 C 13 21.939 0.300 . 2 . . . . 56 VAL CG1 . 10286 1 609 . 1 1 56 56 VAL CG2 C 13 22.290 0.300 . 2 . . . . 56 VAL CG2 . 10286 1 610 . 1 1 56 56 VAL N N 15 121.206 0.300 . 1 . . . . 56 VAL N . 10286 1 611 . 1 1 57 57 ARG H H 1 8.508 0.030 . 1 . . . . 57 ARG H . 10286 1 612 . 1 1 57 57 ARG HA H 1 3.928 0.030 . 1 . . . . 57 ARG HA . 10286 1 613 . 1 1 57 57 ARG HB2 H 1 2.040 0.030 . 2 . . . . 57 ARG HB2 . 10286 1 614 . 1 1 57 57 ARG HB3 H 1 1.947 0.030 . 2 . . . . 57 ARG HB3 . 10286 1 615 . 1 1 57 57 ARG HD2 H 1 3.334 0.030 . 2 . . . . 57 ARG HD2 . 10286 1 616 . 1 1 57 57 ARG HD3 H 1 3.273 0.030 . 2 . . . . 57 ARG HD3 . 10286 1 617 . 1 1 57 57 ARG HG2 H 1 1.523 0.030 . 1 . . . . 57 ARG HG2 . 10286 1 618 . 1 1 57 57 ARG C C 13 179.282 0.300 . 1 . . . . 57 ARG C . 10286 1 619 . 1 1 57 57 ARG CA C 13 61.095 0.300 . 1 . . . . 57 ARG CA . 10286 1 620 . 1 1 57 57 ARG CB C 13 30.261 0.300 . 1 . . . . 57 ARG CB . 10286 1 621 . 1 1 57 57 ARG CD C 13 43.161 0.300 . 1 . . . . 57 ARG CD . 10286 1 622 . 1 1 57 57 ARG CG C 13 30.088 0.300 . 1 . . . . 57 ARG CG . 10286 1 623 . 1 1 57 57 ARG N N 15 118.801 0.300 . 1 . . . . 57 ARG N . 10286 1 624 . 1 1 58 58 THR H H 1 8.528 0.030 . 1 . . . . 58 THR H . 10286 1 625 . 1 1 58 58 THR HA H 1 4.013 0.030 . 1 . . . . 58 THR HA . 10286 1 626 . 1 1 58 58 THR HB H 1 4.417 0.030 . 1 . . . . 58 THR HB . 10286 1 627 . 1 1 58 58 THR HG21 H 1 1.323 0.030 . 1 . . . . 58 THR HG2 . 10286 1 628 . 1 1 58 58 THR HG22 H 1 1.323 0.030 . 1 . . . . 58 THR HG2 . 10286 1 629 . 1 1 58 58 THR HG23 H 1 1.323 0.030 . 1 . . . . 58 THR HG2 . 10286 1 630 . 1 1 58 58 THR C C 13 175.518 0.300 . 1 . . . . 58 THR C . 10286 1 631 . 1 1 58 58 THR CA C 13 66.879 0.300 . 1 . . . . 58 THR CA . 10286 1 632 . 1 1 58 58 THR CB C 13 68.826 0.300 . 1 . . . . 58 THR CB . 10286 1 633 . 1 1 58 58 THR CG2 C 13 22.007 0.300 . 1 . . . . 58 THR CG2 . 10286 1 634 . 1 1 58 58 THR N N 15 117.805 0.300 . 1 . . . . 58 THR N . 10286 1 635 . 1 1 59 59 TRP H H 1 7.904 0.030 . 1 . . . . 59 TRP H . 10286 1 636 . 1 1 59 59 TRP HA H 1 4.228 0.030 . 1 . . . . 59 TRP HA . 10286 1 637 . 1 1 59 59 TRP HB2 H 1 3.419 0.030 . 2 . . . . 59 TRP HB2 . 10286 1 638 . 1 1 59 59 TRP HB3 H 1 3.786 0.030 . 2 . . . . 59 TRP HB3 . 10286 1 639 . 1 1 59 59 TRP HD1 H 1 7.361 0.030 . 1 . . . . 59 TRP HD1 . 10286 1 640 . 1 1 59 59 TRP HE1 H 1 9.649 0.030 . 1 . . . . 59 TRP HE1 . 10286 1 641 . 1 1 59 59 TRP HE3 H 1 7.459 0.030 . 1 . . . . 59 TRP HE3 . 10286 1 642 . 1 1 59 59 TRP HH2 H 1 6.537 0.030 . 1 . . . . 59 TRP HH2 . 10286 1 643 . 1 1 59 59 TRP HZ2 H 1 7.062 0.030 . 1 . . . . 59 TRP HZ2 . 10286 1 644 . 1 1 59 59 TRP HZ3 H 1 7.011 0.030 . 1 . . . . 59 TRP HZ3 . 10286 1 645 . 1 1 59 59 TRP C C 13 179.015 0.300 . 1 . . . . 59 TRP C . 10286 1 646 . 1 1 59 59 TRP CA C 13 63.377 0.300 . 1 . . . . 59 TRP CA . 10286 1 647 . 1 1 59 59 TRP CB C 13 28.280 0.300 . 1 . . . . 59 TRP CB . 10286 1 648 . 1 1 59 59 TRP CD1 C 13 127.823 0.300 . 1 . . . . 59 TRP CD1 . 10286 1 649 . 1 1 59 59 TRP CE3 C 13 120.147 0.300 . 1 . . . . 59 TRP CE3 . 10286 1 650 . 1 1 59 59 TRP CH2 C 13 122.983 0.300 . 1 . . . . 59 TRP CH2 . 10286 1 651 . 1 1 59 59 TRP CZ2 C 13 114.157 0.300 . 1 . . . . 59 TRP CZ2 . 10286 1 652 . 1 1 59 59 TRP CZ3 C 13 120.975 0.300 . 1 . . . . 59 TRP CZ3 . 10286 1 653 . 1 1 59 59 TRP N N 15 124.326 0.300 . 1 . . . . 59 TRP N . 10286 1 654 . 1 1 59 59 TRP NE1 N 15 129.490 0.300 . 1 . . . . 59 TRP NE1 . 10286 1 655 . 1 1 60 60 ILE H H 1 8.799 0.030 . 1 . . . . 60 ILE H . 10286 1 656 . 1 1 60 60 ILE HA H 1 3.461 0.030 . 1 . . . . 60 ILE HA . 10286 1 657 . 1 1 60 60 ILE HB H 1 2.041 0.030 . 1 . . . . 60 ILE HB . 10286 1 658 . 1 1 60 60 ILE HD11 H 1 1.044 0.030 . 1 . . . . 60 ILE HD1 . 10286 1 659 . 1 1 60 60 ILE HD12 H 1 1.044 0.030 . 1 . . . . 60 ILE HD1 . 10286 1 660 . 1 1 60 60 ILE HD13 H 1 1.044 0.030 . 1 . . . . 60 ILE HD1 . 10286 1 661 . 1 1 60 60 ILE HG12 H 1 1.381 0.030 . 2 . . . . 60 ILE HG12 . 10286 1 662 . 1 1 60 60 ILE HG13 H 1 2.517 0.030 . 2 . . . . 60 ILE HG13 . 10286 1 663 . 1 1 60 60 ILE HG21 H 1 0.818 0.030 . 1 . . . . 60 ILE HG2 . 10286 1 664 . 1 1 60 60 ILE HG22 H 1 0.818 0.030 . 1 . . . . 60 ILE HG2 . 10286 1 665 . 1 1 60 60 ILE HG23 H 1 0.818 0.030 . 1 . . . . 60 ILE HG2 . 10286 1 666 . 1 1 60 60 ILE C C 13 178.481 0.300 . 1 . . . . 60 ILE C . 10286 1 667 . 1 1 60 60 ILE CA C 13 65.878 0.300 . 1 . . . . 60 ILE CA . 10286 1 668 . 1 1 60 60 ILE CB C 13 39.399 0.300 . 1 . . . . 60 ILE CB . 10286 1 669 . 1 1 60 60 ILE CD1 C 13 15.577 0.300 . 1 . . . . 60 ILE CD1 . 10286 1 670 . 1 1 60 60 ILE CG1 C 13 29.813 0.300 . 1 . . . . 60 ILE CG1 . 10286 1 671 . 1 1 60 60 ILE CG2 C 13 16.979 0.300 . 1 . . . . 60 ILE CG2 . 10286 1 672 . 1 1 60 60 ILE N N 15 119.831 0.300 . 1 . . . . 60 ILE N . 10286 1 673 . 1 1 61 61 GLY H H 1 8.659 0.030 . 1 . . . . 61 GLY H . 10286 1 674 . 1 1 61 61 GLY HA2 H 1 3.705 0.030 . 2 . . . . 61 GLY HA2 . 10286 1 675 . 1 1 61 61 GLY HA3 H 1 4.118 0.030 . 2 . . . . 61 GLY HA3 . 10286 1 676 . 1 1 61 61 GLY C C 13 176.878 0.300 . 1 . . . . 61 GLY C . 10286 1 677 . 1 1 61 61 GLY CA C 13 47.388 0.300 . 1 . . . . 61 GLY CA . 10286 1 678 . 1 1 61 61 GLY N N 15 106.205 0.300 . 1 . . . . 61 GLY N . 10286 1 679 . 1 1 62 62 ASN H H 1 8.408 0.030 . 1 . . . . 62 ASN H . 10286 1 680 . 1 1 62 62 ASN HA H 1 4.452 0.030 . 1 . . . . 62 ASN HA . 10286 1 681 . 1 1 62 62 ASN HB2 H 1 2.823 0.030 . 2 . . . . 62 ASN HB2 . 10286 1 682 . 1 1 62 62 ASN HB3 H 1 2.655 0.030 . 2 . . . . 62 ASN HB3 . 10286 1 683 . 1 1 62 62 ASN HD21 H 1 7.657 0.030 . 2 . . . . 62 ASN HD21 . 10286 1 684 . 1 1 62 62 ASN HD22 H 1 7.021 0.030 . 2 . . . . 62 ASN HD22 . 10286 1 685 . 1 1 62 62 ASN C C 13 177.461 0.300 . 1 . . . . 62 ASN C . 10286 1 686 . 1 1 62 62 ASN CA C 13 55.480 0.300 . 1 . . . . 62 ASN CA . 10286 1 687 . 1 1 62 62 ASN CB C 13 37.951 0.300 . 1 . . . . 62 ASN CB . 10286 1 688 . 1 1 62 62 ASN N N 15 120.644 0.300 . 1 . . . . 62 ASN N . 10286 1 689 . 1 1 62 62 ASN ND2 N 15 112.894 0.300 . 1 . . . . 62 ASN ND2 . 10286 1 690 . 1 1 63 63 ARG H H 1 7.816 0.030 . 1 . . . . 63 ARG H . 10286 1 691 . 1 1 63 63 ARG HA H 1 3.544 0.030 . 1 . . . . 63 ARG HA . 10286 1 692 . 1 1 63 63 ARG HB2 H 1 0.481 0.030 . 2 . . . . 63 ARG HB2 . 10286 1 693 . 1 1 63 63 ARG HB3 H 1 0.889 0.030 . 2 . . . . 63 ARG HB3 . 10286 1 694 . 1 1 63 63 ARG HD2 H 1 1.513 0.030 . 2 . . . . 63 ARG HD2 . 10286 1 695 . 1 1 63 63 ARG HD3 H 1 0.733 0.030 . 2 . . . . 63 ARG HD3 . 10286 1 696 . 1 1 63 63 ARG HG2 H 1 0.126 0.030 . 2 . . . . 63 ARG HG2 . 10286 1 697 . 1 1 63 63 ARG HG3 H 1 0.475 0.030 . 2 . . . . 63 ARG HG3 . 10286 1 698 . 1 1 63 63 ARG C C 13 178.189 0.300 . 1 . . . . 63 ARG C . 10286 1 699 . 1 1 63 63 ARG CA C 13 59.219 0.300 . 1 . . . . 63 ARG CA . 10286 1 700 . 1 1 63 63 ARG CB C 13 29.077 0.300 . 1 . . . . 63 ARG CB . 10286 1 701 . 1 1 63 63 ARG CD C 13 43.323 0.300 . 1 . . . . 63 ARG CD . 10286 1 702 . 1 1 63 63 ARG CG C 13 27.325 0.300 . 1 . . . . 63 ARG CG . 10286 1 703 . 1 1 63 63 ARG N N 15 124.207 0.300 . 1 . . . . 63 ARG N . 10286 1 704 . 1 1 64 64 ARG H H 1 8.578 0.030 . 1 . . . . 64 ARG H . 10286 1 705 . 1 1 64 64 ARG HA H 1 4.057 0.030 . 1 . . . . 64 ARG HA . 10286 1 706 . 1 1 64 64 ARG HB2 H 1 2.111 0.030 . 2 . . . . 64 ARG HB2 . 10286 1 707 . 1 1 64 64 ARG HB3 H 1 2.046 0.030 . 2 . . . . 64 ARG HB3 . 10286 1 708 . 1 1 64 64 ARG HD2 H 1 3.179 0.030 . 2 . . . . 64 ARG HD2 . 10286 1 709 . 1 1 64 64 ARG HD3 H 1 3.720 0.030 . 2 . . . . 64 ARG HD3 . 10286 1 710 . 1 1 64 64 ARG HG2 H 1 1.838 0.030 . 2 . . . . 64 ARG HG2 . 10286 1 711 . 1 1 64 64 ARG HG3 H 1 2.116 0.030 . 2 . . . . 64 ARG HG3 . 10286 1 712 . 1 1 64 64 ARG C C 13 179.039 0.300 . 1 . . . . 64 ARG C . 10286 1 713 . 1 1 64 64 ARG CA C 13 60.190 0.300 . 1 . . . . 64 ARG CA . 10286 1 714 . 1 1 64 64 ARG CB C 13 30.579 0.300 . 1 . . . . 64 ARG CB . 10286 1 715 . 1 1 64 64 ARG CD C 13 43.356 0.300 . 1 . . . . 64 ARG CD . 10286 1 716 . 1 1 64 64 ARG CG C 13 28.548 0.300 . 1 . . . . 64 ARG CG . 10286 1 717 . 1 1 64 64 ARG N N 15 117.839 0.300 . 1 . . . . 64 ARG N . 10286 1 718 . 1 1 65 65 ARG H H 1 7.712 0.030 . 1 . . . . 65 ARG H . 10286 1 719 . 1 1 65 65 ARG HA H 1 4.091 0.030 . 1 . . . . 65 ARG HA . 10286 1 720 . 1 1 65 65 ARG HB2 H 1 1.948 0.030 . 2 . . . . 65 ARG HB2 . 10286 1 721 . 1 1 65 65 ARG HB3 H 1 1.946 0.030 . 2 . . . . 65 ARG HB3 . 10286 1 722 . 1 1 65 65 ARG HD2 H 1 3.270 0.030 . 1 . . . . 65 ARG HD2 . 10286 1 723 . 1 1 65 65 ARG HD3 H 1 3.270 0.030 . 1 . . . . 65 ARG HD3 . 10286 1 724 . 1 1 65 65 ARG HG2 H 1 1.813 0.030 . 2 . . . . 65 ARG HG2 . 10286 1 725 . 1 1 65 65 ARG HG3 H 1 1.614 0.030 . 2 . . . . 65 ARG HG3 . 10286 1 726 . 1 1 65 65 ARG C C 13 178.214 0.300 . 1 . . . . 65 ARG C . 10286 1 727 . 1 1 65 65 ARG CA C 13 59.556 0.300 . 1 . . . . 65 ARG CA . 10286 1 728 . 1 1 65 65 ARG CB C 13 30.167 0.300 . 1 . . . . 65 ARG CB . 10286 1 729 . 1 1 65 65 ARG CD C 13 43.433 0.300 . 1 . . . . 65 ARG CD . 10286 1 730 . 1 1 65 65 ARG CG C 13 28.024 0.300 . 1 . . . . 65 ARG CG . 10286 1 731 . 1 1 65 65 ARG N N 15 118.827 0.300 . 1 . . . . 65 ARG N . 10286 1 732 . 1 1 66 66 LYS H H 1 7.848 0.030 . 1 . . . . 66 LYS H . 10286 1 733 . 1 1 66 66 LYS HA H 1 3.997 0.030 . 1 . . . . 66 LYS HA . 10286 1 734 . 1 1 66 66 LYS HB2 H 1 1.813 0.030 . 1 . . . . 66 LYS HB2 . 10286 1 735 . 1 1 66 66 LYS HB3 H 1 1.813 0.030 . 1 . . . . 66 LYS HB3 . 10286 1 736 . 1 1 66 66 LYS HD2 H 1 1.559 0.030 . 2 . . . . 66 LYS HD2 . 10286 1 737 . 1 1 66 66 LYS HD3 H 1 1.515 0.030 . 2 . . . . 66 LYS HD3 . 10286 1 738 . 1 1 66 66 LYS HE2 H 1 2.858 0.030 . 2 . . . . 66 LYS HE2 . 10286 1 739 . 1 1 66 66 LYS HG2 H 1 1.209 0.030 . 2 . . . . 66 LYS HG2 . 10286 1 740 . 1 1 66 66 LYS HG3 H 1 1.401 0.030 . 2 . . . . 66 LYS HG3 . 10286 1 741 . 1 1 66 66 LYS C C 13 178.481 0.300 . 1 . . . . 66 LYS C . 10286 1 742 . 1 1 66 66 LYS CA C 13 59.110 0.300 . 1 . . . . 66 LYS CA . 10286 1 743 . 1 1 66 66 LYS CB C 13 32.226 0.300 . 1 . . . . 66 LYS CB . 10286 1 744 . 1 1 66 66 LYS CD C 13 29.285 0.300 . 1 . . . . 66 LYS CD . 10286 1 745 . 1 1 66 66 LYS CE C 13 42.080 0.300 . 1 . . . . 66 LYS CE . 10286 1 746 . 1 1 66 66 LYS CG C 13 24.850 0.300 . 1 . . . . 66 LYS CG . 10286 1 747 . 1 1 66 66 LYS N N 15 120.251 0.300 . 1 . . . . 66 LYS N . 10286 1 748 . 1 1 67 67 TYR H H 1 8.324 0.030 . 1 . . . . 67 TYR H . 10286 1 749 . 1 1 67 67 TYR HA H 1 4.274 0.030 . 1 . . . . 67 TYR HA . 10286 1 750 . 1 1 67 67 TYR HB2 H 1 3.073 0.030 . 2 . . . . 67 TYR HB2 . 10286 1 751 . 1 1 67 67 TYR HB3 H 1 3.245 0.030 . 2 . . . . 67 TYR HB3 . 10286 1 752 . 1 1 67 67 TYR HD1 H 1 7.122 0.030 . 1 . . . . 67 TYR HD1 . 10286 1 753 . 1 1 67 67 TYR HD2 H 1 7.122 0.030 . 1 . . . . 67 TYR HD2 . 10286 1 754 . 1 1 67 67 TYR HE1 H 1 6.656 0.030 . 1 . . . . 67 TYR HE1 . 10286 1 755 . 1 1 67 67 TYR HE2 H 1 6.656 0.030 . 1 . . . . 67 TYR HE2 . 10286 1 756 . 1 1 67 67 TYR C C 13 177.412 0.300 . 1 . . . . 67 TYR C . 10286 1 757 . 1 1 67 67 TYR CA C 13 60.576 0.300 . 1 . . . . 67 TYR CA . 10286 1 758 . 1 1 67 67 TYR CB C 13 37.043 0.300 . 1 . . . . 67 TYR CB . 10286 1 759 . 1 1 67 67 TYR CD1 C 13 132.408 0.300 . 1 . . . . 67 TYR CD1 . 10286 1 760 . 1 1 67 67 TYR CD2 C 13 132.408 0.300 . 1 . . . . 67 TYR CD2 . 10286 1 761 . 1 1 67 67 TYR CE1 C 13 117.857 0.300 . 1 . . . . 67 TYR CE1 . 10286 1 762 . 1 1 67 67 TYR CE2 C 13 117.857 0.300 . 1 . . . . 67 TYR CE2 . 10286 1 763 . 1 1 67 67 TYR N N 15 118.725 0.300 . 1 . . . . 67 TYR N . 10286 1 764 . 1 1 68 68 ARG H H 1 8.084 0.030 . 1 . . . . 68 ARG H . 10286 1 765 . 1 1 68 68 ARG HA H 1 4.218 0.030 . 1 . . . . 68 ARG HA . 10286 1 766 . 1 1 68 68 ARG HB2 H 1 2.023 0.030 . 1 . . . . 68 ARG HB2 . 10286 1 767 . 1 1 68 68 ARG HB3 H 1 2.023 0.030 . 1 . . . . 68 ARG HB3 . 10286 1 768 . 1 1 68 68 ARG HD2 H 1 3.285 0.030 . 1 . . . . 68 ARG HD2 . 10286 1 769 . 1 1 68 68 ARG HD3 H 1 3.285 0.030 . 1 . . . . 68 ARG HD3 . 10286 1 770 . 1 1 68 68 ARG HG2 H 1 1.741 0.030 . 2 . . . . 68 ARG HG2 . 10286 1 771 . 1 1 68 68 ARG HG3 H 1 1.686 0.030 . 2 . . . . 68 ARG HG3 . 10286 1 772 . 1 1 68 68 ARG C C 13 179.209 0.300 . 1 . . . . 68 ARG C . 10286 1 773 . 1 1 68 68 ARG CA C 13 58.616 0.300 . 1 . . . . 68 ARG CA . 10286 1 774 . 1 1 68 68 ARG CB C 13 29.343 0.300 . 1 . . . . 68 ARG CB . 10286 1 775 . 1 1 68 68 ARG CD C 13 43.439 0.300 . 1 . . . . 68 ARG CD . 10286 1 776 . 1 1 68 68 ARG CG C 13 27.282 0.300 . 1 . . . . 68 ARG CG . 10286 1 777 . 1 1 68 68 ARG N N 15 119.763 0.300 . 1 . . . . 68 ARG N . 10286 1 778 . 1 1 69 69 LEU H H 1 8.168 0.030 . 1 . . . . 69 LEU H . 10286 1 779 . 1 1 69 69 LEU HA H 1 4.244 0.030 . 1 . . . . 69 LEU HA . 10286 1 780 . 1 1 69 69 LEU HB2 H 1 1.841 0.030 . 2 . . . . 69 LEU HB2 . 10286 1 781 . 1 1 69 69 LEU HB3 H 1 1.653 0.030 . 2 . . . . 69 LEU HB3 . 10286 1 782 . 1 1 69 69 LEU HD11 H 1 0.952 0.030 . 1 . . . . 69 LEU HD1 . 10286 1 783 . 1 1 69 69 LEU HD12 H 1 0.952 0.030 . 1 . . . . 69 LEU HD1 . 10286 1 784 . 1 1 69 69 LEU HD13 H 1 0.952 0.030 . 1 . . . . 69 LEU HD1 . 10286 1 785 . 1 1 69 69 LEU HD21 H 1 0.913 0.030 . 1 . . . . 69 LEU HD2 . 10286 1 786 . 1 1 69 69 LEU HD22 H 1 0.913 0.030 . 1 . . . . 69 LEU HD2 . 10286 1 787 . 1 1 69 69 LEU HD23 H 1 0.913 0.030 . 1 . . . . 69 LEU HD2 . 10286 1 788 . 1 1 69 69 LEU HG H 1 1.776 0.030 . 1 . . . . 69 LEU HG . 10286 1 789 . 1 1 69 69 LEU C C 13 178.457 0.300 . 1 . . . . 69 LEU C . 10286 1 790 . 1 1 69 69 LEU CA C 13 56.981 0.300 . 1 . . . . 69 LEU CA . 10286 1 791 . 1 1 69 69 LEU CB C 13 41.955 0.300 . 1 . . . . 69 LEU CB . 10286 1 792 . 1 1 69 69 LEU CD1 C 13 25.305 0.300 . 2 . . . . 69 LEU CD1 . 10286 1 793 . 1 1 69 69 LEU CD2 C 13 23.319 0.300 . 2 . . . . 69 LEU CD2 . 10286 1 794 . 1 1 69 69 LEU CG C 13 27.204 0.300 . 1 . . . . 69 LEU CG . 10286 1 795 . 1 1 69 69 LEU N N 15 120.874 0.300 . 1 . . . . 69 LEU N . 10286 1 796 . 1 1 70 70 MET H H 1 7.942 0.030 . 1 . . . . 70 MET H . 10286 1 797 . 1 1 70 70 MET HA H 1 4.440 0.030 . 1 . . . . 70 MET HA . 10286 1 798 . 1 1 70 70 MET HB2 H 1 2.080 0.030 . 2 . . . . 70 MET HB2 . 10286 1 799 . 1 1 70 70 MET HB3 H 1 2.214 0.030 . 2 . . . . 70 MET HB3 . 10286 1 800 . 1 1 70 70 MET HE1 H 1 1.998 0.030 . 1 . . . . 70 MET HE . 10286 1 801 . 1 1 70 70 MET HE2 H 1 1.998 0.030 . 1 . . . . 70 MET HE . 10286 1 802 . 1 1 70 70 MET HE3 H 1 1.998 0.030 . 1 . . . . 70 MET HE . 10286 1 803 . 1 1 70 70 MET HG2 H 1 2.565 0.030 . 2 . . . . 70 MET HG2 . 10286 1 804 . 1 1 70 70 MET HG3 H 1 2.705 0.030 . 2 . . . . 70 MET HG3 . 10286 1 805 . 1 1 70 70 MET C C 13 176.417 0.300 . 1 . . . . 70 MET C . 10286 1 806 . 1 1 70 70 MET CA C 13 55.958 0.300 . 1 . . . . 70 MET CA . 10286 1 807 . 1 1 70 70 MET CB C 13 33.711 0.300 . 1 . . . . 70 MET CB . 10286 1 808 . 1 1 70 70 MET CE C 13 16.710 0.300 . 1 . . . . 70 MET CE . 10286 1 809 . 1 1 70 70 MET CG C 13 32.029 0.300 . 1 . . . . 70 MET CG . 10286 1 810 . 1 1 70 70 MET N N 15 117.335 0.300 . 1 . . . . 70 MET N . 10286 1 811 . 1 1 71 71 GLY H H 1 8.107 0.030 . 1 . . . . 71 GLY H . 10286 1 812 . 1 1 71 71 GLY HA2 H 1 3.906 0.030 . 2 . . . . 71 GLY HA2 . 10286 1 813 . 1 1 71 71 GLY HA3 H 1 4.055 0.030 . 2 . . . . 71 GLY HA3 . 10286 1 814 . 1 1 71 71 GLY C C 13 174.255 0.300 . 1 . . . . 71 GLY C . 10286 1 815 . 1 1 71 71 GLY CA C 13 45.852 0.300 . 1 . . . . 71 GLY CA . 10286 1 816 . 1 1 71 71 GLY N N 15 109.096 0.300 . 1 . . . . 71 GLY N . 10286 1 817 . 1 1 72 72 ILE H H 1 8.036 0.030 . 1 . . . . 72 ILE H . 10286 1 818 . 1 1 72 72 ILE HA H 1 4.197 0.030 . 1 . . . . 72 ILE HA . 10286 1 819 . 1 1 72 72 ILE HB H 1 1.687 0.030 . 1 . . . . 72 ILE HB . 10286 1 820 . 1 1 72 72 ILE HD11 H 1 0.687 0.030 . 1 . . . . 72 ILE HD1 . 10286 1 821 . 1 1 72 72 ILE HD12 H 1 0.687 0.030 . 1 . . . . 72 ILE HD1 . 10286 1 822 . 1 1 72 72 ILE HD13 H 1 0.687 0.030 . 1 . . . . 72 ILE HD1 . 10286 1 823 . 1 1 72 72 ILE HG12 H 1 1.017 0.030 . 2 . . . . 72 ILE HG12 . 10286 1 824 . 1 1 72 72 ILE HG13 H 1 1.355 0.030 . 2 . . . . 72 ILE HG13 . 10286 1 825 . 1 1 72 72 ILE HG21 H 1 0.833 0.030 . 1 . . . . 72 ILE HG2 . 10286 1 826 . 1 1 72 72 ILE HG22 H 1 0.833 0.030 . 1 . . . . 72 ILE HG2 . 10286 1 827 . 1 1 72 72 ILE HG23 H 1 0.833 0.030 . 1 . . . . 72 ILE HG2 . 10286 1 828 . 1 1 72 72 ILE C C 13 175.712 0.300 . 1 . . . . 72 ILE C . 10286 1 829 . 1 1 72 72 ILE CA C 13 60.626 0.300 . 1 . . . . 72 ILE CA . 10286 1 830 . 1 1 72 72 ILE CB C 13 39.203 0.300 . 1 . . . . 72 ILE CB . 10286 1 831 . 1 1 72 72 ILE CD1 C 13 12.907 0.300 . 1 . . . . 72 ILE CD1 . 10286 1 832 . 1 1 72 72 ILE CG1 C 13 27.054 0.300 . 1 . . . . 72 ILE CG1 . 10286 1 833 . 1 1 72 72 ILE CG2 C 13 17.559 0.300 . 1 . . . . 72 ILE CG2 . 10286 1 834 . 1 1 72 72 ILE N N 15 120.615 0.300 . 1 . . . . 72 ILE N . 10286 1 835 . 1 1 73 73 GLU H H 1 8.523 0.030 . 1 . . . . 73 GLU H . 10286 1 836 . 1 1 73 73 GLU HA H 1 4.306 0.030 . 1 . . . . 73 GLU HA . 10286 1 837 . 1 1 73 73 GLU HB2 H 1 2.023 0.030 . 2 . . . . 73 GLU HB2 . 10286 1 838 . 1 1 73 73 GLU HB3 H 1 1.943 0.030 . 2 . . . . 73 GLU HB3 . 10286 1 839 . 1 1 73 73 GLU HG2 H 1 2.236 0.030 . 2 . . . . 73 GLU HG2 . 10286 1 840 . 1 1 73 73 GLU HG3 H 1 2.288 0.030 . 2 . . . . 73 GLU HG3 . 10286 1 841 . 1 1 73 73 GLU C C 13 176.417 0.300 . 1 . . . . 73 GLU C . 10286 1 842 . 1 1 73 73 GLU CA C 13 56.551 0.300 . 1 . . . . 73 GLU CA . 10286 1 843 . 1 1 73 73 GLU CB C 13 30.167 0.300 . 1 . . . . 73 GLU CB . 10286 1 844 . 1 1 73 73 GLU CG C 13 36.267 0.300 . 1 . . . . 73 GLU CG . 10286 1 845 . 1 1 73 73 GLU N N 15 125.837 0.300 . 1 . . . . 73 GLU N . 10286 1 846 . 1 1 74 74 VAL H H 1 8.319 0.030 . 1 . . . . 74 VAL H . 10286 1 847 . 1 1 74 74 VAL HA H 1 4.187 0.030 . 1 . . . . 74 VAL HA . 10286 1 848 . 1 1 74 74 VAL HB H 1 2.067 0.030 . 1 . . . . 74 VAL HB . 10286 1 849 . 1 1 74 74 VAL HG11 H 1 1.025 0.030 . 1 . . . . 74 VAL HG1 . 10286 1 850 . 1 1 74 74 VAL HG12 H 1 1.025 0.030 . 1 . . . . 74 VAL HG1 . 10286 1 851 . 1 1 74 74 VAL HG13 H 1 1.025 0.030 . 1 . . . . 74 VAL HG1 . 10286 1 852 . 1 1 74 74 VAL HG21 H 1 0.950 0.030 . 1 . . . . 74 VAL HG2 . 10286 1 853 . 1 1 74 74 VAL HG22 H 1 0.950 0.030 . 1 . . . . 74 VAL HG2 . 10286 1 854 . 1 1 74 74 VAL HG23 H 1 0.950 0.030 . 1 . . . . 74 VAL HG2 . 10286 1 855 . 1 1 74 74 VAL C C 13 176.052 0.300 . 1 . . . . 74 VAL C . 10286 1 856 . 1 1 74 74 VAL CA C 13 62.103 0.300 . 1 . . . . 74 VAL CA . 10286 1 857 . 1 1 74 74 VAL CB C 13 33.063 0.300 . 1 . . . . 74 VAL CB . 10286 1 858 . 1 1 74 74 VAL CG1 C 13 21.097 0.300 . 2 . . . . 74 VAL CG1 . 10286 1 859 . 1 1 74 74 VAL CG2 C 13 21.855 0.300 . 2 . . . . 74 VAL CG2 . 10286 1 860 . 1 1 74 74 VAL N N 15 122.642 0.300 . 1 . . . . 74 VAL N . 10286 1 861 . 1 1 75 75 SER H H 1 8.460 0.030 . 1 . . . . 75 SER H . 10286 1 862 . 1 1 75 75 SER HA H 1 4.469 0.030 . 1 . . . . 75 SER HA . 10286 1 863 . 1 1 75 75 SER HB2 H 1 3.852 0.030 . 1 . . . . 75 SER HB2 . 10286 1 864 . 1 1 75 75 SER HB3 H 1 3.852 0.030 . 1 . . . . 75 SER HB3 . 10286 1 865 . 1 1 75 75 SER C C 13 174.547 0.300 . 1 . . . . 75 SER C . 10286 1 866 . 1 1 75 75 SER CA C 13 58.413 0.300 . 1 . . . . 75 SER CA . 10286 1 867 . 1 1 75 75 SER CB C 13 64.015 0.300 . 1 . . . . 75 SER CB . 10286 1 868 . 1 1 75 75 SER N N 15 120.411 0.300 . 1 . . . . 75 SER N . 10286 1 869 . 1 1 76 76 GLY H H 1 8.307 0.030 . 1 . . . . 76 GLY H . 10286 1 870 . 1 1 76 76 GLY HA2 H 1 4.096 0.030 . 2 . . . . 76 GLY HA2 . 10286 1 871 . 1 1 76 76 GLY C C 13 171.729 0.300 . 1 . . . . 76 GLY C . 10286 1 872 . 1 1 76 76 GLY CA C 13 44.566 0.300 . 1 . . . . 76 GLY CA . 10286 1 873 . 1 1 76 76 GLY N N 15 110.975 0.300 . 1 . . . . 76 GLY N . 10286 1 874 . 1 1 77 77 PRO HA H 1 4.508 0.030 . 1 . . . . 77 PRO HA . 10286 1 875 . 1 1 77 77 PRO HB2 H 1 1.980 0.030 . 2 . . . . 77 PRO HB2 . 10286 1 876 . 1 1 77 77 PRO HB3 H 1 2.300 0.030 . 2 . . . . 77 PRO HB3 . 10286 1 877 . 1 1 77 77 PRO HD2 H 1 3.610 0.030 . 2 . . . . 77 PRO HD2 . 10286 1 878 . 1 1 77 77 PRO HG2 H 1 2.016 0.030 . 1 . . . . 77 PRO HG2 . 10286 1 879 . 1 1 77 77 PRO HG3 H 1 2.016 0.030 . 1 . . . . 77 PRO HG3 . 10286 1 880 . 1 1 77 77 PRO CA C 13 63.054 0.300 . 1 . . . . 77 PRO CA . 10286 1 881 . 1 1 77 77 PRO CB C 13 32.299 0.300 . 1 . . . . 77 PRO CB . 10286 1 882 . 1 1 77 77 PRO CD C 13 49.689 0.300 . 1 . . . . 77 PRO CD . 10286 1 883 . 1 1 77 77 PRO CG C 13 27.261 0.300 . 1 . . . . 77 PRO CG . 10286 1 884 . 1 1 79 79 SER HA H 1 4.507 0.030 . 1 . . . . 79 SER HA . 10286 1 885 . 1 1 79 79 SER HB2 H 1 3.901 0.030 . 1 . . . . 79 SER HB2 . 10286 1 886 . 1 1 79 79 SER HB3 H 1 3.901 0.030 . 1 . . . . 79 SER HB3 . 10286 1 887 . 1 1 79 79 SER C C 13 173.939 0.300 . 1 . . . . 79 SER C . 10286 1 888 . 1 1 79 79 SER CA C 13 58.427 0.300 . 1 . . . . 79 SER CA . 10286 1 889 . 1 1 79 79 SER CB C 13 64.293 0.300 . 1 . . . . 79 SER CB . 10286 1 890 . 1 1 80 80 GLY H H 1 8.054 0.030 . 1 . . . . 80 GLY H . 10286 1 891 . 1 1 80 80 GLY C C 13 179.039 0.300 . 1 . . . . 80 GLY C . 10286 1 892 . 1 1 80 80 GLY CA C 13 46.295 0.300 . 1 . . . . 80 GLY CA . 10286 1 893 . 1 1 80 80 GLY N N 15 116.746 0.300 . 1 . . . . 80 GLY N . 10286 1 stop_ save_