data_10261 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10261 _Entry.Title ; Solution structures of the WHEP-TRS domain of human methionyl-tRNA synthetase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-21 _Entry.Accession_date 2008-11-21 _Entry.Last_release_date 2009-11-24 _Entry.Original_release_date 2009-11-24 _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 M. Sato . . . 10261 2 A. Sasagawa . . . 10261 3 N. Tochio . . . 10261 4 S. Koshiba . . . 10261 5 M. Inoue . . . 10261 6 T. Kigawa . . . 10261 7 S. Yokoyama . . . 10261 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' 10261 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10261 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 290 10261 '15N chemical shifts' 69 10261 '1H chemical shifts' 480 10261 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 . . 2009-11-24 2008-11-21 original author . 10261 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DJV 'BMRB Entry Tracking System' 10261 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10261 _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 structures of the WHEP-TRS domain of human methionyl-tRNA synthetase' _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 M. Sato . . . 10261 1 2 A. Sasagawa . . . 10261 1 3 N. Tochio . . . 10261 1 4 S. Koshiba . . . 10261 1 5 M. Inoue . . . 10261 1 6 T. Kigawa . . . 10261 1 7 S. Yokoyama . . . 10261 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10261 _Assembly.ID 1 _Assembly.Name 'Methionyl-tRNA synthetase' _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 E.C.6.1.1.10 _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 'WHEP-TRS domain' 1 $entity_1 . . yes native no no . . . 10261 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 2DJV . . . . . . 10261 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10261 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'WHEP-TRS 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 ; GSSGSSGTTAKPQQIQALMD EVTKQGNIVRELKAQKADKN EVAAEVAKLLDLKKQLAVAE GKPPEAPKGKKKKSGPSSG ; _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 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2DJV . "Solution Structures Of The Whep-Trs Domain Of Human Methionyl-Trna Synthetase" . . . . . 100.00 79 100.00 100.00 7.98e-45 . . . . 10261 1 2 no DBJ BAA95668 . "methionyl tRNA synthetase [Homo sapiens]" . . . . . 83.54 900 100.00 100.00 1.37e-31 . . . . 10261 1 3 no DBJ BAD96487 . "methionine-tRNA synthetase variant [Homo sapiens]" . . . . . 83.54 900 100.00 100.00 1.65e-31 . . . . 10261 1 4 no DBJ BAF83546 . "unnamed protein product [Homo sapiens]" . . . . . 83.54 900 100.00 100.00 1.29e-31 . . . . 10261 1 5 no DBJ BAJ20957 . "methionyl-tRNA synthetase [synthetic construct]" . . . . . 83.54 900 100.00 100.00 1.37e-31 . . . . 10261 1 6 no EMBL CAA64381 . "yeast methionyl-tRNA synthetase homolog [Homo sapiens]" . . . . . 83.54 900 100.00 100.00 1.73e-31 . . . . 10261 1 7 no EMBL CAA89153 . "orf [Homo sapiens]" . . . . . 83.54 478 100.00 100.00 4.70e-33 . . . . 10261 1 8 no GB AAH02384 . "Methionyl-tRNA synthetase [Homo sapiens]" . . . . . 83.54 900 100.00 100.00 1.37e-31 . . . . 10261 1 9 no GB AAH06328 . "Methionyl-tRNA synthetase [Homo sapiens]" . . . . . 83.54 900 100.00 100.00 1.37e-31 . . . . 10261 1 10 no GB AAH11639 . "Methionyl-tRNA synthetase [Homo sapiens]" . . . . . 83.54 900 100.00 100.00 1.37e-31 . . . . 10261 1 11 no GB AAH11849 . "Methionyl-tRNA synthetase [Homo sapiens]" . . . . . 83.54 900 100.00 100.00 1.37e-31 . . . . 10261 1 12 no GB AAH15011 . "MARS protein, partial [Homo sapiens]" . . . . . 83.54 899 100.00 100.00 1.98e-31 . . . . 10261 1 13 no REF NP_001253877 . "methionine--tRNA ligase, cytoplasmic [Macaca mulatta]" . . . . . 83.54 900 96.97 98.48 1.50e-30 . . . . 10261 1 14 no REF NP_004981 . "methionine--tRNA ligase, cytoplasmic [Homo sapiens]" . . . . . 83.54 900 100.00 100.00 1.37e-31 . . . . 10261 1 15 no REF XP_002823470 . "PREDICTED: methionine--tRNA ligase, cytoplasmic [Pongo abelii]" . . . . . 83.54 900 96.97 100.00 7.42e-31 . . . . 10261 1 16 no REF XP_004053501 . "PREDICTED: methionine--tRNA ligase, cytoplasmic-like [Gorilla gorilla gorilla]" . . . . . 83.54 697 96.97 98.48 4.97e-32 . . . . 10261 1 17 no REF XP_005571392 . "PREDICTED: methionine--tRNA ligase, cytoplasmic isoform X1 [Macaca fascicularis]" . . . . . 83.54 908 96.97 98.48 1.44e-30 . . . . 10261 1 18 no SP P56192 . "RecName: Full=Methionine--tRNA ligase, cytoplasmic; AltName: Full=Methionyl-tRNA synthetase; Short=MetRS" . . . . . 83.54 900 100.00 100.00 1.37e-31 . . . . 10261 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'WHEP-TRS domain' . 10261 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 . 10261 1 2 . SER . 10261 1 3 . SER . 10261 1 4 . GLY . 10261 1 5 . SER . 10261 1 6 . SER . 10261 1 7 . GLY . 10261 1 8 . THR . 10261 1 9 . THR . 10261 1 10 . ALA . 10261 1 11 . LYS . 10261 1 12 . PRO . 10261 1 13 . GLN . 10261 1 14 . GLN . 10261 1 15 . ILE . 10261 1 16 . GLN . 10261 1 17 . ALA . 10261 1 18 . LEU . 10261 1 19 . MET . 10261 1 20 . ASP . 10261 1 21 . GLU . 10261 1 22 . VAL . 10261 1 23 . THR . 10261 1 24 . LYS . 10261 1 25 . GLN . 10261 1 26 . GLY . 10261 1 27 . ASN . 10261 1 28 . ILE . 10261 1 29 . VAL . 10261 1 30 . ARG . 10261 1 31 . GLU . 10261 1 32 . LEU . 10261 1 33 . LYS . 10261 1 34 . ALA . 10261 1 35 . GLN . 10261 1 36 . LYS . 10261 1 37 . ALA . 10261 1 38 . ASP . 10261 1 39 . LYS . 10261 1 40 . ASN . 10261 1 41 . GLU . 10261 1 42 . VAL . 10261 1 43 . ALA . 10261 1 44 . ALA . 10261 1 45 . GLU . 10261 1 46 . VAL . 10261 1 47 . ALA . 10261 1 48 . LYS . 10261 1 49 . LEU . 10261 1 50 . LEU . 10261 1 51 . ASP . 10261 1 52 . LEU . 10261 1 53 . LYS . 10261 1 54 . LYS . 10261 1 55 . GLN . 10261 1 56 . LEU . 10261 1 57 . ALA . 10261 1 58 . VAL . 10261 1 59 . ALA . 10261 1 60 . GLU . 10261 1 61 . GLY . 10261 1 62 . LYS . 10261 1 63 . PRO . 10261 1 64 . PRO . 10261 1 65 . GLU . 10261 1 66 . ALA . 10261 1 67 . PRO . 10261 1 68 . LYS . 10261 1 69 . GLY . 10261 1 70 . LYS . 10261 1 71 . LYS . 10261 1 72 . LYS . 10261 1 73 . LYS . 10261 1 74 . SER . 10261 1 75 . GLY . 10261 1 76 . PRO . 10261 1 77 . SER . 10261 1 78 . SER . 10261 1 79 . GLY . 10261 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 10261 1 . SER 2 2 10261 1 . SER 3 3 10261 1 . GLY 4 4 10261 1 . SER 5 5 10261 1 . SER 6 6 10261 1 . GLY 7 7 10261 1 . THR 8 8 10261 1 . THR 9 9 10261 1 . ALA 10 10 10261 1 . LYS 11 11 10261 1 . PRO 12 12 10261 1 . GLN 13 13 10261 1 . GLN 14 14 10261 1 . ILE 15 15 10261 1 . GLN 16 16 10261 1 . ALA 17 17 10261 1 . LEU 18 18 10261 1 . MET 19 19 10261 1 . ASP 20 20 10261 1 . GLU 21 21 10261 1 . VAL 22 22 10261 1 . THR 23 23 10261 1 . LYS 24 24 10261 1 . GLN 25 25 10261 1 . GLY 26 26 10261 1 . ASN 27 27 10261 1 . ILE 28 28 10261 1 . VAL 29 29 10261 1 . ARG 30 30 10261 1 . GLU 31 31 10261 1 . LEU 32 32 10261 1 . LYS 33 33 10261 1 . ALA 34 34 10261 1 . GLN 35 35 10261 1 . LYS 36 36 10261 1 . ALA 37 37 10261 1 . ASP 38 38 10261 1 . LYS 39 39 10261 1 . ASN 40 40 10261 1 . GLU 41 41 10261 1 . VAL 42 42 10261 1 . ALA 43 43 10261 1 . ALA 44 44 10261 1 . GLU 45 45 10261 1 . VAL 46 46 10261 1 . ALA 47 47 10261 1 . LYS 48 48 10261 1 . LEU 49 49 10261 1 . LEU 50 50 10261 1 . ASP 51 51 10261 1 . LEU 52 52 10261 1 . LYS 53 53 10261 1 . LYS 54 54 10261 1 . GLN 55 55 10261 1 . LEU 56 56 10261 1 . ALA 57 57 10261 1 . VAL 58 58 10261 1 . ALA 59 59 10261 1 . GLU 60 60 10261 1 . GLY 61 61 10261 1 . LYS 62 62 10261 1 . PRO 63 63 10261 1 . PRO 64 64 10261 1 . GLU 65 65 10261 1 . ALA 66 66 10261 1 . PRO 67 67 10261 1 . LYS 68 68 10261 1 . GLY 69 69 10261 1 . LYS 70 70 10261 1 . LYS 71 71 10261 1 . LYS 72 72 10261 1 . LYS 73 73 10261 1 . SER 74 74 10261 1 . GLY 75 75 10261 1 . PRO 76 76 10261 1 . SER 77 77 10261 1 . SER 78 78 10261 1 . GLY 79 79 10261 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 10261 _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 . . . . . . . . . . . . . . . . . . . . . 10261 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 10261 _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 . . P050704-14 . . . . . . 10261 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10261 _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 'WHWP-TRS domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 10261 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10261 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10261 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10261 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10261 1 6 H2O . . . . . . solvent 90 . . % . . . . 10261 1 7 D2O . . . . . . solvent 10 . . % . . . . 10261 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 10261 _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 10261 1 pH 7.0 0.05 pH 10261 1 pressure 1 0.001 atm 10261 1 temperature 296 0.1 K 10261 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10261 _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 . . 10261 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10261 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10261 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10261 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10261 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10261 _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.' . . 10261 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10261 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10261 _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.' . . 10261 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10261 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10261 _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.' . . 10261 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10261 5 'structure solution' 10261 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 10261 _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 10261 _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 . . . 10261 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 10261 _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 . . . . . . . . . . . . . . . . 10261 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10261 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 10261 _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 . . . . . . . . . 10261 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10261 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10261 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 10261 _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 10261 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10261 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 4.042 0.030 . 1 . . . . 7 GLY HA2 . 10261 1 2 . 1 1 7 7 GLY HA3 H 1 4.042 0.030 . 1 . . . . 7 GLY HA3 . 10261 1 3 . 1 1 7 7 GLY C C 13 174.377 0.300 . 1 . . . . 7 GLY C . 10261 1 4 . 1 1 7 7 GLY CA C 13 45.425 0.300 . 1 . . . . 7 GLY CA . 10261 1 5 . 1 1 8 8 THR H H 1 8.131 0.030 . 1 . . . . 8 THR H . 10261 1 6 . 1 1 8 8 THR HA H 1 4.448 0.030 . 1 . . . . 8 THR HA . 10261 1 7 . 1 1 8 8 THR HB H 1 4.255 0.030 . 1 . . . . 8 THR HB . 10261 1 8 . 1 1 8 8 THR HG21 H 1 1.208 0.030 . 1 . . . . 8 THR HG2 . 10261 1 9 . 1 1 8 8 THR HG22 H 1 1.208 0.030 . 1 . . . . 8 THR HG2 . 10261 1 10 . 1 1 8 8 THR HG23 H 1 1.208 0.030 . 1 . . . . 8 THR HG2 . 10261 1 11 . 1 1 8 8 THR C C 13 174.773 0.300 . 1 . . . . 8 THR C . 10261 1 12 . 1 1 8 8 THR CA C 13 61.787 0.300 . 1 . . . . 8 THR CA . 10261 1 13 . 1 1 8 8 THR CB C 13 69.913 0.300 . 1 . . . . 8 THR CB . 10261 1 14 . 1 1 8 8 THR CG2 C 13 21.608 0.300 . 1 . . . . 8 THR CG2 . 10261 1 15 . 1 1 8 8 THR N N 15 113.630 0.300 . 1 . . . . 8 THR N . 10261 1 16 . 1 1 9 9 THR H H 1 8.180 0.030 . 1 . . . . 9 THR H . 10261 1 17 . 1 1 9 9 THR HA H 1 4.355 0.030 . 1 . . . . 9 THR HA . 10261 1 18 . 1 1 9 9 THR HB H 1 4.228 0.030 . 1 . . . . 9 THR HB . 10261 1 19 . 1 1 9 9 THR HG21 H 1 1.230 0.030 . 1 . . . . 9 THR HG2 . 10261 1 20 . 1 1 9 9 THR HG22 H 1 1.230 0.030 . 1 . . . . 9 THR HG2 . 10261 1 21 . 1 1 9 9 THR HG23 H 1 1.230 0.030 . 1 . . . . 9 THR HG2 . 10261 1 22 . 1 1 9 9 THR C C 13 174.203 0.300 . 1 . . . . 9 THR C . 10261 1 23 . 1 1 9 9 THR CA C 13 61.892 0.300 . 1 . . . . 9 THR CA . 10261 1 24 . 1 1 9 9 THR CB C 13 69.891 0.300 . 1 . . . . 9 THR CB . 10261 1 25 . 1 1 9 9 THR CG2 C 13 21.766 0.300 . 1 . . . . 9 THR CG2 . 10261 1 26 . 1 1 9 9 THR N N 15 116.604 0.300 . 1 . . . . 9 THR N . 10261 1 27 . 1 1 10 10 ALA H H 1 8.405 0.030 . 1 . . . . 10 ALA H . 10261 1 28 . 1 1 10 10 ALA HA H 1 4.376 0.030 . 1 . . . . 10 ALA HA . 10261 1 29 . 1 1 10 10 ALA HB1 H 1 1.413 0.030 . 1 . . . . 10 ALA HB . 10261 1 30 . 1 1 10 10 ALA HB2 H 1 1.413 0.030 . 1 . . . . 10 ALA HB . 10261 1 31 . 1 1 10 10 ALA HB3 H 1 1.413 0.030 . 1 . . . . 10 ALA HB . 10261 1 32 . 1 1 10 10 ALA C C 13 177.430 0.300 . 1 . . . . 10 ALA C . 10261 1 33 . 1 1 10 10 ALA CA C 13 52.317 0.300 . 1 . . . . 10 ALA CA . 10261 1 34 . 1 1 10 10 ALA CB C 13 19.506 0.300 . 1 . . . . 10 ALA CB . 10261 1 35 . 1 1 10 10 ALA N N 15 126.934 0.300 . 1 . . . . 10 ALA N . 10261 1 36 . 1 1 11 11 LYS H H 1 8.462 0.030 . 1 . . . . 11 LYS H . 10261 1 37 . 1 1 11 11 LYS HA H 1 4.575 0.030 . 1 . . . . 11 LYS HA . 10261 1 38 . 1 1 11 11 LYS HB2 H 1 1.881 0.030 . 2 . . . . 11 LYS HB2 . 10261 1 39 . 1 1 11 11 LYS HB3 H 1 1.769 0.030 . 2 . . . . 11 LYS HB3 . 10261 1 40 . 1 1 11 11 LYS HD2 H 1 1.758 0.030 . 1 . . . . 11 LYS HD2 . 10261 1 41 . 1 1 11 11 LYS HD3 H 1 1.758 0.030 . 1 . . . . 11 LYS HD3 . 10261 1 42 . 1 1 11 11 LYS HE2 H 1 2.989 0.030 . 1 . . . . 11 LYS HE2 . 10261 1 43 . 1 1 11 11 LYS HE3 H 1 2.989 0.030 . 1 . . . . 11 LYS HE3 . 10261 1 44 . 1 1 11 11 LYS HG2 H 1 1.541 0.030 . 1 . . . . 11 LYS HG2 . 10261 1 45 . 1 1 11 11 LYS HG3 H 1 1.541 0.030 . 1 . . . . 11 LYS HG3 . 10261 1 46 . 1 1 11 11 LYS C C 13 174.921 0.300 . 1 . . . . 11 LYS C . 10261 1 47 . 1 1 11 11 LYS CA C 13 55.122 0.300 . 1 . . . . 11 LYS CA . 10261 1 48 . 1 1 11 11 LYS CB C 13 31.910 0.300 . 1 . . . . 11 LYS CB . 10261 1 49 . 1 1 11 11 LYS CD C 13 29.191 0.300 . 1 . . . . 11 LYS CD . 10261 1 50 . 1 1 11 11 LYS CE C 13 42.263 0.300 . 1 . . . . 11 LYS CE . 10261 1 51 . 1 1 11 11 LYS CG C 13 24.921 0.300 . 1 . . . . 11 LYS CG . 10261 1 52 . 1 1 11 11 LYS N N 15 121.526 0.300 . 1 . . . . 11 LYS N . 10261 1 53 . 1 1 12 12 PRO HA H 1 4.363 0.030 . 1 . . . . 12 PRO HA . 10261 1 54 . 1 1 12 12 PRO HB2 H 1 2.425 0.030 . 2 . . . . 12 PRO HB2 . 10261 1 55 . 1 1 12 12 PRO HB3 H 1 1.911 0.030 . 2 . . . . 12 PRO HB3 . 10261 1 56 . 1 1 12 12 PRO HD2 H 1 3.900 0.030 . 2 . . . . 12 PRO HD2 . 10261 1 57 . 1 1 12 12 PRO HD3 H 1 3.669 0.030 . 2 . . . . 12 PRO HD3 . 10261 1 58 . 1 1 12 12 PRO HG2 H 1 2.145 0.030 . 2 . . . . 12 PRO HG2 . 10261 1 59 . 1 1 12 12 PRO HG3 H 1 2.080 0.030 . 2 . . . . 12 PRO HG3 . 10261 1 60 . 1 1 12 12 PRO C C 13 178.290 0.300 . 1 . . . . 12 PRO C . 10261 1 61 . 1 1 12 12 PRO CA C 13 64.502 0.300 . 1 . . . . 12 PRO CA . 10261 1 62 . 1 1 12 12 PRO CB C 13 31.992 0.300 . 1 . . . . 12 PRO CB . 10261 1 63 . 1 1 12 12 PRO CD C 13 50.535 0.300 . 1 . . . . 12 PRO CD . 10261 1 64 . 1 1 12 12 PRO CG C 13 27.944 0.300 . 1 . . . . 12 PRO CG . 10261 1 65 . 1 1 13 13 GLN H H 1 8.665 0.030 . 1 . . . . 13 GLN H . 10261 1 66 . 1 1 13 13 GLN HA H 1 4.158 0.030 . 1 . . . . 13 GLN HA . 10261 1 67 . 1 1 13 13 GLN HB2 H 1 2.118 0.030 . 1 . . . . 13 GLN HB2 . 10261 1 68 . 1 1 13 13 GLN HB3 H 1 2.118 0.030 . 1 . . . . 13 GLN HB3 . 10261 1 69 . 1 1 13 13 GLN HE21 H 1 7.587 0.030 . 2 . . . . 13 GLN HE21 . 10261 1 70 . 1 1 13 13 GLN HE22 H 1 6.910 0.030 . 2 . . . . 13 GLN HE22 . 10261 1 71 . 1 1 13 13 GLN HG2 H 1 2.475 0.030 . 1 . . . . 13 GLN HG2 . 10261 1 72 . 1 1 13 13 GLN HG3 H 1 2.475 0.030 . 1 . . . . 13 GLN HG3 . 10261 1 73 . 1 1 13 13 GLN C C 13 177.727 0.300 . 1 . . . . 13 GLN C . 10261 1 74 . 1 1 13 13 GLN CA C 13 58.366 0.300 . 1 . . . . 13 GLN CA . 10261 1 75 . 1 1 13 13 GLN CB C 13 28.584 0.300 . 1 . . . . 13 GLN CB . 10261 1 76 . 1 1 13 13 GLN CG C 13 34.002 0.300 . 1 . . . . 13 GLN CG . 10261 1 77 . 1 1 13 13 GLN N N 15 119.964 0.300 . 1 . . . . 13 GLN N . 10261 1 78 . 1 1 13 13 GLN NE2 N 15 112.331 0.300 . 1 . . . . 13 GLN NE2 . 10261 1 79 . 1 1 14 14 GLN H H 1 8.376 0.030 . 1 . . . . 14 GLN H . 10261 1 80 . 1 1 14 14 GLN HA H 1 4.217 0.030 . 1 . . . . 14 GLN HA . 10261 1 81 . 1 1 14 14 GLN HB2 H 1 2.163 0.030 . 1 . . . . 14 GLN HB2 . 10261 1 82 . 1 1 14 14 GLN HB3 H 1 2.163 0.030 . 1 . . . . 14 GLN HB3 . 10261 1 83 . 1 1 14 14 GLN HE21 H 1 7.555 0.030 . 2 . . . . 14 GLN HE21 . 10261 1 84 . 1 1 14 14 GLN HE22 H 1 6.921 0.030 . 2 . . . . 14 GLN HE22 . 10261 1 85 . 1 1 14 14 GLN HG2 H 1 2.468 0.030 . 2 . . . . 14 GLN HG2 . 10261 1 86 . 1 1 14 14 GLN HG3 H 1 2.371 0.030 . 2 . . . . 14 GLN HG3 . 10261 1 87 . 1 1 14 14 GLN C C 13 178.304 0.300 . 1 . . . . 14 GLN C . 10261 1 88 . 1 1 14 14 GLN CA C 13 58.190 0.300 . 1 . . . . 14 GLN CA . 10261 1 89 . 1 1 14 14 GLN CB C 13 28.639 0.300 . 1 . . . . 14 GLN CB . 10261 1 90 . 1 1 14 14 GLN CG C 13 33.970 0.300 . 1 . . . . 14 GLN CG . 10261 1 91 . 1 1 14 14 GLN N N 15 120.039 0.300 . 1 . . . . 14 GLN N . 10261 1 92 . 1 1 14 14 GLN NE2 N 15 111.772 0.300 . 1 . . . . 14 GLN NE2 . 10261 1 93 . 1 1 15 15 ILE H H 1 7.802 0.030 . 1 . . . . 15 ILE H . 10261 1 94 . 1 1 15 15 ILE HA H 1 3.654 0.030 . 1 . . . . 15 ILE HA . 10261 1 95 . 1 1 15 15 ILE HB H 1 1.893 0.030 . 1 . . . . 15 ILE HB . 10261 1 96 . 1 1 15 15 ILE HD11 H 1 0.848 0.030 . 1 . . . . 15 ILE HD1 . 10261 1 97 . 1 1 15 15 ILE HD12 H 1 0.848 0.030 . 1 . . . . 15 ILE HD1 . 10261 1 98 . 1 1 15 15 ILE HD13 H 1 0.848 0.030 . 1 . . . . 15 ILE HD1 . 10261 1 99 . 1 1 15 15 ILE HG12 H 1 1.615 0.030 . 2 . . . . 15 ILE HG12 . 10261 1 100 . 1 1 15 15 ILE HG13 H 1 1.020 0.030 . 2 . . . . 15 ILE HG13 . 10261 1 101 . 1 1 15 15 ILE HG21 H 1 0.927 0.030 . 1 . . . . 15 ILE HG2 . 10261 1 102 . 1 1 15 15 ILE HG22 H 1 0.927 0.030 . 1 . . . . 15 ILE HG2 . 10261 1 103 . 1 1 15 15 ILE HG23 H 1 0.927 0.030 . 1 . . . . 15 ILE HG2 . 10261 1 104 . 1 1 15 15 ILE C C 13 177.183 0.300 . 1 . . . . 15 ILE C . 10261 1 105 . 1 1 15 15 ILE CA C 13 64.643 0.300 . 1 . . . . 15 ILE CA . 10261 1 106 . 1 1 15 15 ILE CB C 13 37.828 0.300 . 1 . . . . 15 ILE CB . 10261 1 107 . 1 1 15 15 ILE CD1 C 13 12.994 0.300 . 1 . . . . 15 ILE CD1 . 10261 1 108 . 1 1 15 15 ILE CG1 C 13 29.508 0.300 . 1 . . . . 15 ILE CG1 . 10261 1 109 . 1 1 15 15 ILE CG2 C 13 17.516 0.300 . 1 . . . . 15 ILE CG2 . 10261 1 110 . 1 1 15 15 ILE N N 15 119.981 0.300 . 1 . . . . 15 ILE N . 10261 1 111 . 1 1 16 16 GLN H H 1 8.159 0.030 . 1 . . . . 16 GLN H . 10261 1 112 . 1 1 16 16 GLN HA H 1 3.958 0.030 . 1 . . . . 16 GLN HA . 10261 1 113 . 1 1 16 16 GLN HB2 H 1 2.123 0.030 . 2 . . . . 16 GLN HB2 . 10261 1 114 . 1 1 16 16 GLN HB3 H 1 2.077 0.030 . 2 . . . . 16 GLN HB3 . 10261 1 115 . 1 1 16 16 GLN HE21 H 1 7.705 0.030 . 2 . . . . 16 GLN HE21 . 10261 1 116 . 1 1 16 16 GLN HE22 H 1 6.856 0.030 . 2 . . . . 16 GLN HE22 . 10261 1 117 . 1 1 16 16 GLN HG2 H 1 2.380 0.030 . 1 . . . . 16 GLN HG2 . 10261 1 118 . 1 1 16 16 GLN HG3 H 1 2.380 0.030 . 1 . . . . 16 GLN HG3 . 10261 1 119 . 1 1 16 16 GLN C C 13 177.647 0.300 . 1 . . . . 16 GLN C . 10261 1 120 . 1 1 16 16 GLN CA C 13 58.648 0.300 . 1 . . . . 16 GLN CA . 10261 1 121 . 1 1 16 16 GLN CB C 13 28.531 0.300 . 1 . . . . 16 GLN CB . 10261 1 122 . 1 1 16 16 GLN CG C 13 33.723 0.300 . 1 . . . . 16 GLN CG . 10261 1 123 . 1 1 16 16 GLN N N 15 119.695 0.300 . 1 . . . . 16 GLN N . 10261 1 124 . 1 1 16 16 GLN NE2 N 15 115.266 0.300 . 1 . . . . 16 GLN NE2 . 10261 1 125 . 1 1 17 17 ALA H H 1 7.946 0.030 . 1 . . . . 17 ALA H . 10261 1 126 . 1 1 17 17 ALA HA H 1 4.239 0.030 . 1 . . . . 17 ALA HA . 10261 1 127 . 1 1 17 17 ALA HB1 H 1 1.514 0.030 . 1 . . . . 17 ALA HB . 10261 1 128 . 1 1 17 17 ALA HB2 H 1 1.514 0.030 . 1 . . . . 17 ALA HB . 10261 1 129 . 1 1 17 17 ALA HB3 H 1 1.514 0.030 . 1 . . . . 17 ALA HB . 10261 1 130 . 1 1 17 17 ALA C C 13 180.910 0.300 . 1 . . . . 17 ALA C . 10261 1 131 . 1 1 17 17 ALA CA C 13 55.106 0.300 . 1 . . . . 17 ALA CA . 10261 1 132 . 1 1 17 17 ALA CB C 13 17.990 0.300 . 1 . . . . 17 ALA CB . 10261 1 133 . 1 1 17 17 ALA N N 15 120.227 0.300 . 1 . . . . 17 ALA N . 10261 1 134 . 1 1 18 18 LEU H H 1 7.682 0.030 . 1 . . . . 18 LEU H . 10261 1 135 . 1 1 18 18 LEU HA H 1 4.187 0.030 . 1 . . . . 18 LEU HA . 10261 1 136 . 1 1 18 18 LEU HB2 H 1 1.963 0.030 . 2 . . . . 18 LEU HB2 . 10261 1 137 . 1 1 18 18 LEU HB3 H 1 1.407 0.030 . 2 . . . . 18 LEU HB3 . 10261 1 138 . 1 1 18 18 LEU HD11 H 1 0.825 0.030 . 1 . . . . 18 LEU HD1 . 10261 1 139 . 1 1 18 18 LEU HD12 H 1 0.825 0.030 . 1 . . . . 18 LEU HD1 . 10261 1 140 . 1 1 18 18 LEU HD13 H 1 0.825 0.030 . 1 . . . . 18 LEU HD1 . 10261 1 141 . 1 1 18 18 LEU HD21 H 1 0.856 0.030 . 1 . . . . 18 LEU HD2 . 10261 1 142 . 1 1 18 18 LEU HD22 H 1 0.856 0.030 . 1 . . . . 18 LEU HD2 . 10261 1 143 . 1 1 18 18 LEU HD23 H 1 0.856 0.030 . 1 . . . . 18 LEU HD2 . 10261 1 144 . 1 1 18 18 LEU HG H 1 1.726 0.030 . 1 . . . . 18 LEU HG . 10261 1 145 . 1 1 18 18 LEU C C 13 178.977 0.300 . 1 . . . . 18 LEU C . 10261 1 146 . 1 1 18 18 LEU CA C 13 57.890 0.300 . 1 . . . . 18 LEU CA . 10261 1 147 . 1 1 18 18 LEU CB C 13 43.361 0.300 . 1 . . . . 18 LEU CB . 10261 1 148 . 1 1 18 18 LEU CD1 C 13 25.234 0.300 . 2 . . . . 18 LEU CD1 . 10261 1 149 . 1 1 18 18 LEU CD2 C 13 23.751 0.300 . 2 . . . . 18 LEU CD2 . 10261 1 150 . 1 1 18 18 LEU CG C 13 27.613 0.300 . 1 . . . . 18 LEU CG . 10261 1 151 . 1 1 18 18 LEU N N 15 119.764 0.300 . 1 . . . . 18 LEU N . 10261 1 152 . 1 1 19 19 MET H H 1 8.699 0.030 . 1 . . . . 19 MET H . 10261 1 153 . 1 1 19 19 MET HA H 1 3.965 0.030 . 1 . . . . 19 MET HA . 10261 1 154 . 1 1 19 19 MET HB2 H 1 2.220 0.030 . 1 . . . . 19 MET HB2 . 10261 1 155 . 1 1 19 19 MET HB3 H 1 2.220 0.030 . 1 . . . . 19 MET HB3 . 10261 1 156 . 1 1 19 19 MET HE1 H 1 2.080 0.030 . 1 . . . . 19 MET HE . 10261 1 157 . 1 1 19 19 MET HE2 H 1 2.080 0.030 . 1 . . . . 19 MET HE . 10261 1 158 . 1 1 19 19 MET HE3 H 1 2.080 0.030 . 1 . . . . 19 MET HE . 10261 1 159 . 1 1 19 19 MET HG2 H 1 2.730 0.030 . 2 . . . . 19 MET HG2 . 10261 1 160 . 1 1 19 19 MET HG3 H 1 2.512 0.030 . 2 . . . . 19 MET HG3 . 10261 1 161 . 1 1 19 19 MET C C 13 179.207 0.300 . 1 . . . . 19 MET C . 10261 1 162 . 1 1 19 19 MET CA C 13 59.794 0.300 . 1 . . . . 19 MET CA . 10261 1 163 . 1 1 19 19 MET CB C 13 32.445 0.300 . 1 . . . . 19 MET CB . 10261 1 164 . 1 1 19 19 MET CE C 13 16.957 0.300 . 1 . . . . 19 MET CE . 10261 1 165 . 1 1 19 19 MET CG C 13 32.920 0.300 . 1 . . . . 19 MET CG . 10261 1 166 . 1 1 19 19 MET N N 15 119.982 0.300 . 1 . . . . 19 MET N . 10261 1 167 . 1 1 20 20 ASP H H 1 8.435 0.030 . 1 . . . . 20 ASP H . 10261 1 168 . 1 1 20 20 ASP HA H 1 4.453 0.030 . 1 . . . . 20 ASP HA . 10261 1 169 . 1 1 20 20 ASP HB2 H 1 2.919 0.030 . 2 . . . . 20 ASP HB2 . 10261 1 170 . 1 1 20 20 ASP HB3 H 1 2.717 0.030 . 2 . . . . 20 ASP HB3 . 10261 1 171 . 1 1 20 20 ASP C C 13 179.127 0.300 . 1 . . . . 20 ASP C . 10261 1 172 . 1 1 20 20 ASP CA C 13 57.449 0.300 . 1 . . . . 20 ASP CA . 10261 1 173 . 1 1 20 20 ASP CB C 13 39.986 0.300 . 1 . . . . 20 ASP CB . 10261 1 174 . 1 1 20 20 ASP N N 15 120.434 0.300 . 1 . . . . 20 ASP N . 10261 1 175 . 1 1 21 21 GLU H H 1 8.150 0.030 . 1 . . . . 21 GLU H . 10261 1 176 . 1 1 21 21 GLU HA H 1 4.168 0.030 . 1 . . . . 21 GLU HA . 10261 1 177 . 1 1 21 21 GLU HB2 H 1 2.254 0.030 . 1 . . . . 21 GLU HB2 . 10261 1 178 . 1 1 21 21 GLU HB3 H 1 2.254 0.030 . 1 . . . . 21 GLU HB3 . 10261 1 179 . 1 1 21 21 GLU HG2 H 1 2.464 0.030 . 1 . . . . 21 GLU HG2 . 10261 1 180 . 1 1 21 21 GLU HG3 H 1 2.464 0.030 . 1 . . . . 21 GLU HG3 . 10261 1 181 . 1 1 21 21 GLU C C 13 179.405 0.300 . 1 . . . . 21 GLU C . 10261 1 182 . 1 1 21 21 GLU CA C 13 59.477 0.300 . 1 . . . . 21 GLU CA . 10261 1 183 . 1 1 21 21 GLU CB C 13 29.441 0.300 . 1 . . . . 21 GLU CB . 10261 1 184 . 1 1 21 21 GLU CG C 13 36.195 0.300 . 1 . . . . 21 GLU CG . 10261 1 185 . 1 1 21 21 GLU N N 15 122.159 0.300 . 1 . . . . 21 GLU N . 10261 1 186 . 1 1 22 22 VAL H H 1 8.754 0.030 . 1 . . . . 22 VAL H . 10261 1 187 . 1 1 22 22 VAL HA H 1 3.484 0.030 . 1 . . . . 22 VAL HA . 10261 1 188 . 1 1 22 22 VAL HB H 1 2.364 0.030 . 1 . . . . 22 VAL HB . 10261 1 189 . 1 1 22 22 VAL HG11 H 1 1.018 0.030 . 1 . . . . 22 VAL HG1 . 10261 1 190 . 1 1 22 22 VAL HG12 H 1 1.018 0.030 . 1 . . . . 22 VAL HG1 . 10261 1 191 . 1 1 22 22 VAL HG13 H 1 1.018 0.030 . 1 . . . . 22 VAL HG1 . 10261 1 192 . 1 1 22 22 VAL HG21 H 1 0.924 0.030 . 1 . . . . 22 VAL HG2 . 10261 1 193 . 1 1 22 22 VAL HG22 H 1 0.924 0.030 . 1 . . . . 22 VAL HG2 . 10261 1 194 . 1 1 22 22 VAL HG23 H 1 0.924 0.030 . 1 . . . . 22 VAL HG2 . 10261 1 195 . 1 1 22 22 VAL C C 13 179.177 0.300 . 1 . . . . 22 VAL C . 10261 1 196 . 1 1 22 22 VAL CA C 13 67.545 0.300 . 1 . . . . 22 VAL CA . 10261 1 197 . 1 1 22 22 VAL CB C 13 31.712 0.300 . 1 . . . . 22 VAL CB . 10261 1 198 . 1 1 22 22 VAL CG1 C 13 24.846 0.300 . 2 . . . . 22 VAL CG1 . 10261 1 199 . 1 1 22 22 VAL CG2 C 13 21.921 0.300 . 2 . . . . 22 VAL CG2 . 10261 1 200 . 1 1 22 22 VAL N N 15 121.967 0.300 . 1 . . . . 22 VAL N . 10261 1 201 . 1 1 23 23 THR H H 1 8.410 0.030 . 1 . . . . 23 THR H . 10261 1 202 . 1 1 23 23 THR HA H 1 3.888 0.030 . 1 . . . . 23 THR HA . 10261 1 203 . 1 1 23 23 THR HB H 1 4.345 0.030 . 1 . . . . 23 THR HB . 10261 1 204 . 1 1 23 23 THR HG21 H 1 1.232 0.030 . 1 . . . . 23 THR HG2 . 10261 1 205 . 1 1 23 23 THR HG22 H 1 1.232 0.030 . 1 . . . . 23 THR HG2 . 10261 1 206 . 1 1 23 23 THR HG23 H 1 1.232 0.030 . 1 . . . . 23 THR HG2 . 10261 1 207 . 1 1 23 23 THR C C 13 176.515 0.300 . 1 . . . . 23 THR C . 10261 1 208 . 1 1 23 23 THR CA C 13 66.706 0.300 . 1 . . . . 23 THR CA . 10261 1 209 . 1 1 23 23 THR CB C 13 68.646 0.300 . 1 . . . . 23 THR CB . 10261 1 210 . 1 1 23 23 THR CG2 C 13 21.937 0.300 . 1 . . . . 23 THR CG2 . 10261 1 211 . 1 1 23 23 THR N N 15 119.619 0.300 . 1 . . . . 23 THR N . 10261 1 212 . 1 1 24 24 LYS H H 1 8.179 0.030 . 1 . . . . 24 LYS H . 10261 1 213 . 1 1 24 24 LYS HA H 1 4.055 0.030 . 1 . . . . 24 LYS HA . 10261 1 214 . 1 1 24 24 LYS HB2 H 1 1.929 0.030 . 2 . . . . 24 LYS HB2 . 10261 1 215 . 1 1 24 24 LYS HD2 H 1 1.704 0.030 . 2 . . . . 24 LYS HD2 . 10261 1 216 . 1 1 24 24 LYS HE2 H 1 2.930 0.030 . 2 . . . . 24 LYS HE2 . 10261 1 217 . 1 1 24 24 LYS HG2 H 1 1.397 0.030 . 2 . . . . 24 LYS HG2 . 10261 1 218 . 1 1 24 24 LYS HG3 H 1 1.586 0.030 . 2 . . . . 24 LYS HG3 . 10261 1 219 . 1 1 24 24 LYS C C 13 179.223 0.300 . 1 . . . . 24 LYS C . 10261 1 220 . 1 1 24 24 LYS CA C 13 59.865 0.300 . 1 . . . . 24 LYS CA . 10261 1 221 . 1 1 24 24 LYS CB C 13 32.733 0.300 . 1 . . . . 24 LYS CB . 10261 1 222 . 1 1 24 24 LYS CD C 13 29.684 0.300 . 1 . . . . 24 LYS CD . 10261 1 223 . 1 1 24 24 LYS CE C 13 41.799 0.300 . 1 . . . . 24 LYS CE . 10261 1 224 . 1 1 24 24 LYS CG C 13 25.069 0.300 . 1 . . . . 24 LYS CG . 10261 1 225 . 1 1 24 24 LYS N N 15 122.464 0.300 . 1 . . . . 24 LYS N . 10261 1 226 . 1 1 25 25 GLN H H 1 8.791 0.030 . 1 . . . . 25 GLN H . 10261 1 227 . 1 1 25 25 GLN HA H 1 4.266 0.030 . 1 . . . . 25 GLN HA . 10261 1 228 . 1 1 25 25 GLN HB2 H 1 2.253 0.030 . 2 . . . . 25 GLN HB2 . 10261 1 229 . 1 1 25 25 GLN HB3 H 1 1.937 0.030 . 2 . . . . 25 GLN HB3 . 10261 1 230 . 1 1 25 25 GLN HE21 H 1 8.797 0.030 . 2 . . . . 25 GLN HE21 . 10261 1 231 . 1 1 25 25 GLN HE22 H 1 7.256 0.030 . 2 . . . . 25 GLN HE22 . 10261 1 232 . 1 1 25 25 GLN HG2 H 1 2.333 0.030 . 2 . . . . 25 GLN HG2 . 10261 1 233 . 1 1 25 25 GLN HG3 H 1 2.190 0.030 . 2 . . . . 25 GLN HG3 . 10261 1 234 . 1 1 25 25 GLN C C 13 178.359 0.300 . 1 . . . . 25 GLN C . 10261 1 235 . 1 1 25 25 GLN CA C 13 57.273 0.300 . 1 . . . . 25 GLN CA . 10261 1 236 . 1 1 25 25 GLN CB C 13 26.830 0.300 . 1 . . . . 25 GLN CB . 10261 1 237 . 1 1 25 25 GLN CG C 13 32.239 0.300 . 1 . . . . 25 GLN CG . 10261 1 238 . 1 1 25 25 GLN N N 15 120.181 0.300 . 1 . . . . 25 GLN N . 10261 1 239 . 1 1 25 25 GLN NE2 N 15 114.424 0.300 . 1 . . . . 25 GLN NE2 . 10261 1 240 . 1 1 26 26 GLY H H 1 8.828 0.030 . 1 . . . . 26 GLY H . 10261 1 241 . 1 1 26 26 GLY HA2 H 1 4.099 0.030 . 2 . . . . 26 GLY HA2 . 10261 1 242 . 1 1 26 26 GLY HA3 H 1 3.788 0.030 . 2 . . . . 26 GLY HA3 . 10261 1 243 . 1 1 26 26 GLY C C 13 176.618 0.300 . 1 . . . . 26 GLY C . 10261 1 244 . 1 1 26 26 GLY CA C 13 47.161 0.300 . 1 . . . . 26 GLY CA . 10261 1 245 . 1 1 26 26 GLY N N 15 108.597 0.300 . 1 . . . . 26 GLY N . 10261 1 246 . 1 1 27 27 ASN H H 1 7.910 0.030 . 1 . . . . 27 ASN H . 10261 1 247 . 1 1 27 27 ASN HA H 1 4.582 0.030 . 1 . . . . 27 ASN HA . 10261 1 248 . 1 1 27 27 ASN HB2 H 1 3.050 0.030 . 2 . . . . 27 ASN HB2 . 10261 1 249 . 1 1 27 27 ASN HB3 H 1 2.914 0.030 . 2 . . . . 27 ASN HB3 . 10261 1 250 . 1 1 27 27 ASN HD21 H 1 7.653 0.030 . 2 . . . . 27 ASN HD21 . 10261 1 251 . 1 1 27 27 ASN HD22 H 1 6.992 0.030 . 2 . . . . 27 ASN HD22 . 10261 1 252 . 1 1 27 27 ASN C C 13 177.317 0.300 . 1 . . . . 27 ASN C . 10261 1 253 . 1 1 27 27 ASN CA C 13 56.074 0.300 . 1 . . . . 27 ASN CA . 10261 1 254 . 1 1 27 27 ASN CB C 13 37.729 0.300 . 1 . . . . 27 ASN CB . 10261 1 255 . 1 1 27 27 ASN N N 15 121.818 0.300 . 1 . . . . 27 ASN N . 10261 1 256 . 1 1 27 27 ASN ND2 N 15 112.814 0.300 . 1 . . . . 27 ASN ND2 . 10261 1 257 . 1 1 28 28 ILE H H 1 7.811 0.030 . 1 . . . . 28 ILE H . 10261 1 258 . 1 1 28 28 ILE HA H 1 3.789 0.030 . 1 . . . . 28 ILE HA . 10261 1 259 . 1 1 28 28 ILE HB H 1 2.101 0.030 . 1 . . . . 28 ILE HB . 10261 1 260 . 1 1 28 28 ILE HD11 H 1 0.867 0.030 . 1 . . . . 28 ILE HD1 . 10261 1 261 . 1 1 28 28 ILE HD12 H 1 0.867 0.030 . 1 . . . . 28 ILE HD1 . 10261 1 262 . 1 1 28 28 ILE HD13 H 1 0.867 0.030 . 1 . . . . 28 ILE HD1 . 10261 1 263 . 1 1 28 28 ILE HG12 H 1 1.707 0.030 . 2 . . . . 28 ILE HG12 . 10261 1 264 . 1 1 28 28 ILE HG13 H 1 1.193 0.030 . 2 . . . . 28 ILE HG13 . 10261 1 265 . 1 1 28 28 ILE HG21 H 1 0.887 0.030 . 1 . . . . 28 ILE HG2 . 10261 1 266 . 1 1 28 28 ILE HG22 H 1 0.887 0.030 . 1 . . . . 28 ILE HG2 . 10261 1 267 . 1 1 28 28 ILE HG23 H 1 0.887 0.030 . 1 . . . . 28 ILE HG2 . 10261 1 268 . 1 1 28 28 ILE C C 13 178.445 0.300 . 1 . . . . 28 ILE C . 10261 1 269 . 1 1 28 28 ILE CA C 13 65.117 0.300 . 1 . . . . 28 ILE CA . 10261 1 270 . 1 1 28 28 ILE CB C 13 37.914 0.300 . 1 . . . . 28 ILE CB . 10261 1 271 . 1 1 28 28 ILE CD1 C 13 13.126 0.300 . 1 . . . . 28 ILE CD1 . 10261 1 272 . 1 1 28 28 ILE CG1 C 13 29.363 0.300 . 1 . . . . 28 ILE CG1 . 10261 1 273 . 1 1 28 28 ILE CG2 C 13 16.438 0.300 . 1 . . . . 28 ILE CG2 . 10261 1 274 . 1 1 28 28 ILE N N 15 123.083 0.300 . 1 . . . . 28 ILE N . 10261 1 275 . 1 1 29 29 VAL H H 1 8.018 0.030 . 1 . . . . 29 VAL H . 10261 1 276 . 1 1 29 29 VAL HA H 1 3.399 0.030 . 1 . . . . 29 VAL HA . 10261 1 277 . 1 1 29 29 VAL HB H 1 2.204 0.030 . 1 . . . . 29 VAL HB . 10261 1 278 . 1 1 29 29 VAL HG11 H 1 1.082 0.030 . 1 . . . . 29 VAL HG1 . 10261 1 279 . 1 1 29 29 VAL HG12 H 1 1.082 0.030 . 1 . . . . 29 VAL HG1 . 10261 1 280 . 1 1 29 29 VAL HG13 H 1 1.082 0.030 . 1 . . . . 29 VAL HG1 . 10261 1 281 . 1 1 29 29 VAL HG21 H 1 0.924 0.030 . 1 . . . . 29 VAL HG2 . 10261 1 282 . 1 1 29 29 VAL HG22 H 1 0.924 0.030 . 1 . . . . 29 VAL HG2 . 10261 1 283 . 1 1 29 29 VAL HG23 H 1 0.924 0.030 . 1 . . . . 29 VAL HG2 . 10261 1 284 . 1 1 29 29 VAL C C 13 176.953 0.300 . 1 . . . . 29 VAL C . 10261 1 285 . 1 1 29 29 VAL CA C 13 67.541 0.300 . 1 . . . . 29 VAL CA . 10261 1 286 . 1 1 29 29 VAL CB C 13 32.013 0.300 . 1 . . . . 29 VAL CB . 10261 1 287 . 1 1 29 29 VAL CG1 C 13 24.256 0.300 . 2 . . . . 29 VAL CG1 . 10261 1 288 . 1 1 29 29 VAL CG2 C 13 22.020 0.300 . 2 . . . . 29 VAL CG2 . 10261 1 289 . 1 1 29 29 VAL N N 15 119.117 0.300 . 1 . . . . 29 VAL N . 10261 1 290 . 1 1 30 30 ARG H H 1 7.965 0.030 . 1 . . . . 30 ARG H . 10261 1 291 . 1 1 30 30 ARG HA H 1 3.928 0.030 . 1 . . . . 30 ARG HA . 10261 1 292 . 1 1 30 30 ARG HB2 H 1 2.000 0.030 . 1 . . . . 30 ARG HB2 . 10261 1 293 . 1 1 30 30 ARG HB3 H 1 2.000 0.030 . 1 . . . . 30 ARG HB3 . 10261 1 294 . 1 1 30 30 ARG HD2 H 1 3.277 0.030 . 1 . . . . 30 ARG HD2 . 10261 1 295 . 1 1 30 30 ARG HD3 H 1 3.277 0.030 . 1 . . . . 30 ARG HD3 . 10261 1 296 . 1 1 30 30 ARG HG2 H 1 1.792 0.030 . 2 . . . . 30 ARG HG2 . 10261 1 297 . 1 1 30 30 ARG HG3 H 1 1.599 0.030 . 2 . . . . 30 ARG HG3 . 10261 1 298 . 1 1 30 30 ARG C C 13 179.609 0.300 . 1 . . . . 30 ARG C . 10261 1 299 . 1 1 30 30 ARG CA C 13 60.006 0.300 . 1 . . . . 30 ARG CA . 10261 1 300 . 1 1 30 30 ARG CB C 13 30.302 0.300 . 1 . . . . 30 ARG CB . 10261 1 301 . 1 1 30 30 ARG CD C 13 43.287 0.300 . 1 . . . . 30 ARG CD . 10261 1 302 . 1 1 30 30 ARG CG C 13 27.525 0.300 . 1 . . . . 30 ARG CG . 10261 1 303 . 1 1 30 30 ARG N N 15 118.510 0.300 . 1 . . . . 30 ARG N . 10261 1 304 . 1 1 31 31 GLU H H 1 8.211 0.030 . 1 . . . . 31 GLU H . 10261 1 305 . 1 1 31 31 GLU HA H 1 4.167 0.030 . 1 . . . . 31 GLU HA . 10261 1 306 . 1 1 31 31 GLU HB2 H 1 2.091 0.030 . 1 . . . . 31 GLU HB2 . 10261 1 307 . 1 1 31 31 GLU HB3 H 1 2.091 0.030 . 1 . . . . 31 GLU HB3 . 10261 1 308 . 1 1 31 31 GLU HG2 H 1 2.362 0.030 . 2 . . . . 31 GLU HG2 . 10261 1 309 . 1 1 31 31 GLU HG3 H 1 2.300 0.030 . 2 . . . . 31 GLU HG3 . 10261 1 310 . 1 1 31 31 GLU C C 13 178.910 0.300 . 1 . . . . 31 GLU C . 10261 1 311 . 1 1 31 31 GLU CA C 13 59.195 0.300 . 1 . . . . 31 GLU CA . 10261 1 312 . 1 1 31 31 GLU CB C 13 29.437 0.300 . 1 . . . . 31 GLU CB . 10261 1 313 . 1 1 31 31 GLU CG C 13 36.205 0.300 . 1 . . . . 31 GLU CG . 10261 1 314 . 1 1 31 31 GLU N N 15 120.110 0.300 . 1 . . . . 31 GLU N . 10261 1 315 . 1 1 32 32 LEU H H 1 8.287 0.030 . 1 . . . . 32 LEU H . 10261 1 316 . 1 1 32 32 LEU HA H 1 4.021 0.030 . 1 . . . . 32 LEU HA . 10261 1 317 . 1 1 32 32 LEU HB2 H 1 1.933 0.030 . 2 . . . . 32 LEU HB2 . 10261 1 318 . 1 1 32 32 LEU HB3 H 1 1.302 0.030 . 2 . . . . 32 LEU HB3 . 10261 1 319 . 1 1 32 32 LEU HD11 H 1 0.820 0.030 . 1 . . . . 32 LEU HD1 . 10261 1 320 . 1 1 32 32 LEU HD12 H 1 0.820 0.030 . 1 . . . . 32 LEU HD1 . 10261 1 321 . 1 1 32 32 LEU HD13 H 1 0.820 0.030 . 1 . . . . 32 LEU HD1 . 10261 1 322 . 1 1 32 32 LEU HD21 H 1 0.794 0.030 . 1 . . . . 32 LEU HD2 . 10261 1 323 . 1 1 32 32 LEU HD22 H 1 0.794 0.030 . 1 . . . . 32 LEU HD2 . 10261 1 324 . 1 1 32 32 LEU HD23 H 1 0.794 0.030 . 1 . . . . 32 LEU HD2 . 10261 1 325 . 1 1 32 32 LEU HG H 1 1.887 0.030 . 1 . . . . 32 LEU HG . 10261 1 326 . 1 1 32 32 LEU C C 13 179.931 0.300 . 1 . . . . 32 LEU C . 10261 1 327 . 1 1 32 32 LEU CA C 13 57.979 0.300 . 1 . . . . 32 LEU CA . 10261 1 328 . 1 1 32 32 LEU CB C 13 42.524 0.300 . 1 . . . . 32 LEU CB . 10261 1 329 . 1 1 32 32 LEU CD1 C 13 26.907 0.300 . 2 . . . . 32 LEU CD1 . 10261 1 330 . 1 1 32 32 LEU CD2 C 13 22.699 0.300 . 2 . . . . 32 LEU CD2 . 10261 1 331 . 1 1 32 32 LEU CG C 13 26.965 0.300 . 1 . . . . 32 LEU CG . 10261 1 332 . 1 1 32 32 LEU N N 15 120.148 0.300 . 1 . . . . 32 LEU N . 10261 1 333 . 1 1 33 33 LYS H H 1 8.205 0.030 . 1 . . . . 33 LYS H . 10261 1 334 . 1 1 33 33 LYS HA H 1 4.048 0.030 . 1 . . . . 33 LYS HA . 10261 1 335 . 1 1 33 33 LYS HB2 H 1 1.869 0.030 . 1 . . . . 33 LYS HB2 . 10261 1 336 . 1 1 33 33 LYS HB3 H 1 1.869 0.030 . 1 . . . . 33 LYS HB3 . 10261 1 337 . 1 1 33 33 LYS HD2 H 1 1.633 0.030 . 1 . . . . 33 LYS HD2 . 10261 1 338 . 1 1 33 33 LYS HD3 H 1 1.633 0.030 . 1 . . . . 33 LYS HD3 . 10261 1 339 . 1 1 33 33 LYS HE2 H 1 2.886 0.030 . 2 . . . . 33 LYS HE2 . 10261 1 340 . 1 1 33 33 LYS HE3 H 1 2.752 0.030 . 2 . . . . 33 LYS HE3 . 10261 1 341 . 1 1 33 33 LYS HG2 H 1 1.719 0.030 . 2 . . . . 33 LYS HG2 . 10261 1 342 . 1 1 33 33 LYS HG3 H 1 1.408 0.030 . 2 . . . . 33 LYS HG3 . 10261 1 343 . 1 1 33 33 LYS C C 13 180.739 0.300 . 1 . . . . 33 LYS C . 10261 1 344 . 1 1 33 33 LYS CA C 13 59.883 0.300 . 1 . . . . 33 LYS CA . 10261 1 345 . 1 1 33 33 LYS CB C 13 32.569 0.300 . 1 . . . . 33 LYS CB . 10261 1 346 . 1 1 33 33 LYS CD C 13 29.846 0.300 . 1 . . . . 33 LYS CD . 10261 1 347 . 1 1 33 33 LYS CE C 13 41.809 0.300 . 1 . . . . 33 LYS CE . 10261 1 348 . 1 1 33 33 LYS CG C 13 26.635 0.300 . 1 . . . . 33 LYS CG . 10261 1 349 . 1 1 33 33 LYS N N 15 117.234 0.300 . 1 . . . . 33 LYS N . 10261 1 350 . 1 1 34 34 ALA H H 1 8.101 0.030 . 1 . . . . 34 ALA H . 10261 1 351 . 1 1 34 34 ALA HA H 1 4.185 0.030 . 1 . . . . 34 ALA HA . 10261 1 352 . 1 1 34 34 ALA HB1 H 1 1.568 0.030 . 1 . . . . 34 ALA HB . 10261 1 353 . 1 1 34 34 ALA HB2 H 1 1.568 0.030 . 1 . . . . 34 ALA HB . 10261 1 354 . 1 1 34 34 ALA HB3 H 1 1.568 0.030 . 1 . . . . 34 ALA HB . 10261 1 355 . 1 1 34 34 ALA C C 13 179.304 0.300 . 1 . . . . 34 ALA C . 10261 1 356 . 1 1 34 34 ALA CA C 13 54.734 0.300 . 1 . . . . 34 ALA CA . 10261 1 357 . 1 1 34 34 ALA CB C 13 18.190 0.300 . 1 . . . . 34 ALA CB . 10261 1 358 . 1 1 34 34 ALA N N 15 123.540 0.300 . 1 . . . . 34 ALA N . 10261 1 359 . 1 1 35 35 GLN H H 1 7.815 0.030 . 1 . . . . 35 GLN H . 10261 1 360 . 1 1 35 35 GLN HA H 1 4.299 0.030 . 1 . . . . 35 GLN HA . 10261 1 361 . 1 1 35 35 GLN HB2 H 1 2.252 0.030 . 2 . . . . 35 GLN HB2 . 10261 1 362 . 1 1 35 35 GLN HB3 H 1 2.072 0.030 . 2 . . . . 35 GLN HB3 . 10261 1 363 . 1 1 35 35 GLN HE21 H 1 7.466 0.030 . 2 . . . . 35 GLN HE21 . 10261 1 364 . 1 1 35 35 GLN HE22 H 1 6.791 0.030 . 2 . . . . 35 GLN HE22 . 10261 1 365 . 1 1 35 35 GLN HG2 H 1 2.531 0.030 . 1 . . . . 35 GLN HG2 . 10261 1 366 . 1 1 35 35 GLN HG3 H 1 2.531 0.030 . 1 . . . . 35 GLN HG3 . 10261 1 367 . 1 1 35 35 GLN C C 13 175.344 0.300 . 1 . . . . 35 GLN C . 10261 1 368 . 1 1 35 35 GLN CA C 13 55.342 0.300 . 1 . . . . 35 GLN CA . 10261 1 369 . 1 1 35 35 GLN CB C 13 28.819 0.300 . 1 . . . . 35 GLN CB . 10261 1 370 . 1 1 35 35 GLN CG C 13 33.788 0.300 . 1 . . . . 35 GLN CG . 10261 1 371 . 1 1 35 35 GLN N N 15 115.126 0.300 . 1 . . . . 35 GLN N . 10261 1 372 . 1 1 35 35 GLN NE2 N 15 111.416 0.300 . 1 . . . . 35 GLN NE2 . 10261 1 373 . 1 1 36 36 LYS H H 1 7.948 0.030 . 1 . . . . 36 LYS H . 10261 1 374 . 1 1 36 36 LYS HA H 1 3.963 0.030 . 1 . . . . 36 LYS HA . 10261 1 375 . 1 1 36 36 LYS HB2 H 1 2.050 0.030 . 2 . . . . 36 LYS HB2 . 10261 1 376 . 1 1 36 36 LYS HB3 H 1 1.869 0.030 . 2 . . . . 36 LYS HB3 . 10261 1 377 . 1 1 36 36 LYS HD2 H 1 1.728 0.030 . 2 . . . . 36 LYS HD2 . 10261 1 378 . 1 1 36 36 LYS HD3 H 1 1.668 0.030 . 2 . . . . 36 LYS HD3 . 10261 1 379 . 1 1 36 36 LYS HE2 H 1 3.031 0.030 . 2 . . . . 36 LYS HE2 . 10261 1 380 . 1 1 36 36 LYS HG2 H 1 1.388 0.030 . 1 . . . . 36 LYS HG2 . 10261 1 381 . 1 1 36 36 LYS HG3 H 1 1.388 0.030 . 1 . . . . 36 LYS HG3 . 10261 1 382 . 1 1 36 36 LYS C C 13 175.883 0.300 . 1 . . . . 36 LYS C . 10261 1 383 . 1 1 36 36 LYS CA C 13 56.872 0.300 . 1 . . . . 36 LYS CA . 10261 1 384 . 1 1 36 36 LYS CB C 13 28.917 0.300 . 1 . . . . 36 LYS CB . 10261 1 385 . 1 1 36 36 LYS CD C 13 29.045 0.300 . 1 . . . . 36 LYS CD . 10261 1 386 . 1 1 36 36 LYS CE C 13 42.252 0.300 . 1 . . . . 36 LYS CE . 10261 1 387 . 1 1 36 36 LYS CG C 13 24.987 0.300 . 1 . . . . 36 LYS CG . 10261 1 388 . 1 1 36 36 LYS N N 15 117.310 0.300 . 1 . . . . 36 LYS N . 10261 1 389 . 1 1 37 37 ALA H H 1 7.646 0.030 . 1 . . . . 37 ALA H . 10261 1 390 . 1 1 37 37 ALA HA H 1 4.226 0.030 . 1 . . . . 37 ALA HA . 10261 1 391 . 1 1 37 37 ALA HB1 H 1 1.352 0.030 . 1 . . . . 37 ALA HB . 10261 1 392 . 1 1 37 37 ALA HB2 H 1 1.352 0.030 . 1 . . . . 37 ALA HB . 10261 1 393 . 1 1 37 37 ALA HB3 H 1 1.352 0.030 . 1 . . . . 37 ALA HB . 10261 1 394 . 1 1 37 37 ALA C C 13 176.094 0.300 . 1 . . . . 37 ALA C . 10261 1 395 . 1 1 37 37 ALA CA C 13 52.143 0.300 . 1 . . . . 37 ALA CA . 10261 1 396 . 1 1 37 37 ALA CB C 13 20.742 0.300 . 1 . . . . 37 ALA CB . 10261 1 397 . 1 1 37 37 ALA N N 15 120.112 0.300 . 1 . . . . 37 ALA N . 10261 1 398 . 1 1 38 38 ASP H H 1 8.474 0.030 . 1 . . . . 38 ASP H . 10261 1 399 . 1 1 38 38 ASP HA H 1 4.387 0.030 . 1 . . . . 38 ASP HA . 10261 1 400 . 1 1 38 38 ASP HB2 H 1 2.809 0.030 . 2 . . . . 38 ASP HB2 . 10261 1 401 . 1 1 38 38 ASP HB3 H 1 2.709 0.030 . 2 . . . . 38 ASP HB3 . 10261 1 402 . 1 1 38 38 ASP C C 13 177.481 0.300 . 1 . . . . 38 ASP C . 10261 1 403 . 1 1 38 38 ASP CA C 13 54.992 0.300 . 1 . . . . 38 ASP CA . 10261 1 404 . 1 1 38 38 ASP CB C 13 43.156 0.300 . 1 . . . . 38 ASP CB . 10261 1 405 . 1 1 38 38 ASP N N 15 119.141 0.300 . 1 . . . . 38 ASP N . 10261 1 406 . 1 1 39 39 LYS H H 1 8.703 0.030 . 1 . . . . 39 LYS H . 10261 1 407 . 1 1 39 39 LYS HA H 1 3.967 0.030 . 1 . . . . 39 LYS HA . 10261 1 408 . 1 1 39 39 LYS HB2 H 1 1.911 0.030 . 1 . . . . 39 LYS HB2 . 10261 1 409 . 1 1 39 39 LYS HB3 H 1 1.911 0.030 . 1 . . . . 39 LYS HB3 . 10261 1 410 . 1 1 39 39 LYS HD2 H 1 1.704 0.030 . 2 . . . . 39 LYS HD2 . 10261 1 411 . 1 1 39 39 LYS HE2 H 1 3.011 0.030 . 2 . . . . 39 LYS HE2 . 10261 1 412 . 1 1 39 39 LYS HG2 H 1 1.491 0.030 . 1 . . . . 39 LYS HG2 . 10261 1 413 . 1 1 39 39 LYS HG3 H 1 1.491 0.030 . 1 . . . . 39 LYS HG3 . 10261 1 414 . 1 1 39 39 LYS C C 13 178.806 0.300 . 1 . . . . 39 LYS C . 10261 1 415 . 1 1 39 39 LYS CA C 13 59.547 0.300 . 1 . . . . 39 LYS CA . 10261 1 416 . 1 1 39 39 LYS CB C 13 32.222 0.300 . 1 . . . . 39 LYS CB . 10261 1 417 . 1 1 39 39 LYS CD C 13 29.437 0.300 . 1 . . . . 39 LYS CD . 10261 1 418 . 1 1 39 39 LYS CE C 13 42.047 0.300 . 1 . . . . 39 LYS CE . 10261 1 419 . 1 1 39 39 LYS CG C 13 24.245 0.300 . 1 . . . . 39 LYS CG . 10261 1 420 . 1 1 39 39 LYS N N 15 124.290 0.300 . 1 . . . . 39 LYS N . 10261 1 421 . 1 1 40 40 ASN H H 1 8.873 0.030 . 1 . . . . 40 ASN H . 10261 1 422 . 1 1 40 40 ASN HA H 1 4.571 0.030 . 1 . . . . 40 ASN HA . 10261 1 423 . 1 1 40 40 ASN HB2 H 1 2.957 0.030 . 2 . . . . 40 ASN HB2 . 10261 1 424 . 1 1 40 40 ASN HB3 H 1 2.759 0.030 . 2 . . . . 40 ASN HB3 . 10261 1 425 . 1 1 40 40 ASN HD21 H 1 7.974 0.030 . 2 . . . . 40 ASN HD21 . 10261 1 426 . 1 1 40 40 ASN HD22 H 1 7.059 0.030 . 2 . . . . 40 ASN HD22 . 10261 1 427 . 1 1 40 40 ASN C C 13 178.014 0.300 . 1 . . . . 40 ASN C . 10261 1 428 . 1 1 40 40 ASN CA C 13 56.091 0.300 . 1 . . . . 40 ASN CA . 10261 1 429 . 1 1 40 40 ASN CB C 13 37.900 0.300 . 1 . . . . 40 ASN CB . 10261 1 430 . 1 1 40 40 ASN N N 15 119.722 0.300 . 1 . . . . 40 ASN N . 10261 1 431 . 1 1 40 40 ASN ND2 N 15 114.890 0.300 . 1 . . . . 40 ASN ND2 . 10261 1 432 . 1 1 41 41 GLU H H 1 7.881 0.030 . 1 . . . . 41 GLU H . 10261 1 433 . 1 1 41 41 GLU HA H 1 4.192 0.030 . 1 . . . . 41 GLU HA . 10261 1 434 . 1 1 41 41 GLU HB2 H 1 2.204 0.030 . 1 . . . . 41 GLU HB2 . 10261 1 435 . 1 1 41 41 GLU HB3 H 1 2.204 0.030 . 1 . . . . 41 GLU HB3 . 10261 1 436 . 1 1 41 41 GLU HG2 H 1 2.393 0.030 . 2 . . . . 41 GLU HG2 . 10261 1 437 . 1 1 41 41 GLU HG3 H 1 2.215 0.030 . 2 . . . . 41 GLU HG3 . 10261 1 438 . 1 1 41 41 GLU C C 13 178.917 0.300 . 1 . . . . 41 GLU C . 10261 1 439 . 1 1 41 41 GLU CA C 13 59.213 0.300 . 1 . . . . 41 GLU CA . 10261 1 440 . 1 1 41 41 GLU CB C 13 29.520 0.300 . 1 . . . . 41 GLU CB . 10261 1 441 . 1 1 41 41 GLU CG C 13 36.360 0.300 . 1 . . . . 41 GLU CG . 10261 1 442 . 1 1 41 41 GLU N N 15 124.025 0.300 . 1 . . . . 41 GLU N . 10261 1 443 . 1 1 42 42 VAL H H 1 8.061 0.030 . 1 . . . . 42 VAL H . 10261 1 444 . 1 1 42 42 VAL HA H 1 3.397 0.030 . 1 . . . . 42 VAL HA . 10261 1 445 . 1 1 42 42 VAL HB H 1 2.001 0.030 . 1 . . . . 42 VAL HB . 10261 1 446 . 1 1 42 42 VAL HG11 H 1 0.900 0.030 . 1 . . . . 42 VAL HG1 . 10261 1 447 . 1 1 42 42 VAL HG12 H 1 0.900 0.030 . 1 . . . . 42 VAL HG1 . 10261 1 448 . 1 1 42 42 VAL HG13 H 1 0.900 0.030 . 1 . . . . 42 VAL HG1 . 10261 1 449 . 1 1 42 42 VAL HG21 H 1 0.925 0.030 . 1 . . . . 42 VAL HG2 . 10261 1 450 . 1 1 42 42 VAL HG22 H 1 0.925 0.030 . 1 . . . . 42 VAL HG2 . 10261 1 451 . 1 1 42 42 VAL HG23 H 1 0.925 0.030 . 1 . . . . 42 VAL HG2 . 10261 1 452 . 1 1 42 42 VAL C C 13 177.701 0.300 . 1 . . . . 42 VAL C . 10261 1 453 . 1 1 42 42 VAL CA C 13 67.341 0.300 . 1 . . . . 42 VAL CA . 10261 1 454 . 1 1 42 42 VAL CB C 13 32.075 0.300 . 1 . . . . 42 VAL CB . 10261 1 455 . 1 1 42 42 VAL CG1 C 13 23.382 0.300 . 2 . . . . 42 VAL CG1 . 10261 1 456 . 1 1 42 42 VAL CG2 C 13 21.855 0.300 . 2 . . . . 42 VAL CG2 . 10261 1 457 . 1 1 42 42 VAL N N 15 117.921 0.300 . 1 . . . . 42 VAL N . 10261 1 458 . 1 1 43 43 ALA H H 1 8.136 0.030 . 1 . . . . 43 ALA H . 10261 1 459 . 1 1 43 43 ALA HA H 1 4.101 0.030 . 1 . . . . 43 ALA HA . 10261 1 460 . 1 1 43 43 ALA HB1 H 1 1.523 0.030 . 1 . . . . 43 ALA HB . 10261 1 461 . 1 1 43 43 ALA HB2 H 1 1.523 0.030 . 1 . . . . 43 ALA HB . 10261 1 462 . 1 1 43 43 ALA HB3 H 1 1.523 0.030 . 1 . . . . 43 ALA HB . 10261 1 463 . 1 1 43 43 ALA C C 13 180.808 0.300 . 1 . . . . 43 ALA C . 10261 1 464 . 1 1 43 43 ALA CA C 13 55.404 0.300 . 1 . . . . 43 ALA CA . 10261 1 465 . 1 1 43 43 ALA CB C 13 17.722 0.300 . 1 . . . . 43 ALA CB . 10261 1 466 . 1 1 43 43 ALA N N 15 119.833 0.300 . 1 . . . . 43 ALA N . 10261 1 467 . 1 1 44 44 ALA H H 1 7.664 0.030 . 1 . . . . 44 ALA H . 10261 1 468 . 1 1 44 44 ALA HA H 1 4.234 0.030 . 1 . . . . 44 ALA HA . 10261 1 469 . 1 1 44 44 ALA HB1 H 1 1.541 0.030 . 1 . . . . 44 ALA HB . 10261 1 470 . 1 1 44 44 ALA HB2 H 1 1.541 0.030 . 1 . . . . 44 ALA HB . 10261 1 471 . 1 1 44 44 ALA HB3 H 1 1.541 0.030 . 1 . . . . 44 ALA HB . 10261 1 472 . 1 1 44 44 ALA C C 13 180.953 0.300 . 1 . . . . 44 ALA C . 10261 1 473 . 1 1 44 44 ALA CA C 13 55.122 0.300 . 1 . . . . 44 ALA CA . 10261 1 474 . 1 1 44 44 ALA CB C 13 18.229 0.300 . 1 . . . . 44 ALA CB . 10261 1 475 . 1 1 44 44 ALA N N 15 121.026 0.300 . 1 . . . . 44 ALA N . 10261 1 476 . 1 1 45 45 GLU H H 1 7.837 0.030 . 1 . . . . 45 GLU H . 10261 1 477 . 1 1 45 45 GLU HA H 1 4.447 0.030 . 1 . . . . 45 GLU HA . 10261 1 478 . 1 1 45 45 GLU HB2 H 1 1.955 0.030 . 2 . . . . 45 GLU HB2 . 10261 1 479 . 1 1 45 45 GLU HB3 H 1 1.872 0.030 . 2 . . . . 45 GLU HB3 . 10261 1 480 . 1 1 45 45 GLU HG2 H 1 2.590 0.030 . 2 . . . . 45 GLU HG2 . 10261 1 481 . 1 1 45 45 GLU HG3 H 1 2.257 0.030 . 2 . . . . 45 GLU HG3 . 10261 1 482 . 1 1 45 45 GLU C C 13 180.357 0.300 . 1 . . . . 45 GLU C . 10261 1 483 . 1 1 45 45 GLU CA C 13 57.467 0.300 . 1 . . . . 45 GLU CA . 10261 1 484 . 1 1 45 45 GLU CB C 13 28.255 0.300 . 1 . . . . 45 GLU CB . 10261 1 485 . 1 1 45 45 GLU CG C 13 34.478 0.300 . 1 . . . . 45 GLU CG . 10261 1 486 . 1 1 45 45 GLU N N 15 118.409 0.300 . 1 . . . . 45 GLU N . 10261 1 487 . 1 1 46 46 VAL H H 1 9.024 0.030 . 1 . . . . 46 VAL H . 10261 1 488 . 1 1 46 46 VAL HA H 1 3.638 0.030 . 1 . . . . 46 VAL HA . 10261 1 489 . 1 1 46 46 VAL HB H 1 2.197 0.030 . 1 . . . . 46 VAL HB . 10261 1 490 . 1 1 46 46 VAL HG11 H 1 1.096 0.030 . 1 . . . . 46 VAL HG1 . 10261 1 491 . 1 1 46 46 VAL HG12 H 1 1.096 0.030 . 1 . . . . 46 VAL HG1 . 10261 1 492 . 1 1 46 46 VAL HG13 H 1 1.096 0.030 . 1 . . . . 46 VAL HG1 . 10261 1 493 . 1 1 46 46 VAL HG21 H 1 0.975 0.030 . 1 . . . . 46 VAL HG2 . 10261 1 494 . 1 1 46 46 VAL HG22 H 1 0.975 0.030 . 1 . . . . 46 VAL HG2 . 10261 1 495 . 1 1 46 46 VAL HG23 H 1 0.975 0.030 . 1 . . . . 46 VAL HG2 . 10261 1 496 . 1 1 46 46 VAL C C 13 177.712 0.300 . 1 . . . . 46 VAL C . 10261 1 497 . 1 1 46 46 VAL CA C 13 66.961 0.300 . 1 . . . . 46 VAL CA . 10261 1 498 . 1 1 46 46 VAL CB C 13 31.910 0.300 . 1 . . . . 46 VAL CB . 10261 1 499 . 1 1 46 46 VAL CG1 C 13 24.481 0.300 . 2 . . . . 46 VAL CG1 . 10261 1 500 . 1 1 46 46 VAL CG2 C 13 21.132 0.300 . 2 . . . . 46 VAL CG2 . 10261 1 501 . 1 1 46 46 VAL N N 15 124.975 0.300 . 1 . . . . 46 VAL N . 10261 1 502 . 1 1 47 47 ALA H H 1 8.130 0.030 . 1 . . . . 47 ALA H . 10261 1 503 . 1 1 47 47 ALA HA H 1 4.093 0.030 . 1 . . . . 47 ALA HA . 10261 1 504 . 1 1 47 47 ALA HB1 H 1 1.523 0.030 . 1 . . . . 47 ALA HB . 10261 1 505 . 1 1 47 47 ALA HB2 H 1 1.523 0.030 . 1 . . . . 47 ALA HB . 10261 1 506 . 1 1 47 47 ALA HB3 H 1 1.523 0.030 . 1 . . . . 47 ALA HB . 10261 1 507 . 1 1 47 47 ALA C C 13 180.853 0.300 . 1 . . . . 47 ALA C . 10261 1 508 . 1 1 47 47 ALA CA C 13 55.545 0.300 . 1 . . . . 47 ALA CA . 10261 1 509 . 1 1 47 47 ALA CB C 13 17.683 0.300 . 1 . . . . 47 ALA CB . 10261 1 510 . 1 1 47 47 ALA N N 15 122.493 0.300 . 1 . . . . 47 ALA N . 10261 1 511 . 1 1 48 48 LYS H H 1 7.442 0.030 . 1 . . . . 48 LYS H . 10261 1 512 . 1 1 48 48 LYS HA H 1 4.183 0.030 . 1 . . . . 48 LYS HA . 10261 1 513 . 1 1 48 48 LYS HB2 H 1 1.918 0.030 . 1 . . . . 48 LYS HB2 . 10261 1 514 . 1 1 48 48 LYS HB3 H 1 1.918 0.030 . 1 . . . . 48 LYS HB3 . 10261 1 515 . 1 1 48 48 LYS HD2 H 1 1.730 0.030 . 1 . . . . 48 LYS HD2 . 10261 1 516 . 1 1 48 48 LYS HD3 H 1 1.730 0.030 . 1 . . . . 48 LYS HD3 . 10261 1 517 . 1 1 48 48 LYS HE2 H 1 2.873 0.030 . 1 . . . . 48 LYS HE2 . 10261 1 518 . 1 1 48 48 LYS HE3 H 1 2.873 0.030 . 1 . . . . 48 LYS HE3 . 10261 1 519 . 1 1 48 48 LYS HG2 H 1 1.623 0.030 . 2 . . . . 48 LYS HG2 . 10261 1 520 . 1 1 48 48 LYS HG3 H 1 1.293 0.030 . 2 . . . . 48 LYS HG3 . 10261 1 521 . 1 1 48 48 LYS C C 13 178.698 0.300 . 1 . . . . 48 LYS C . 10261 1 522 . 1 1 48 48 LYS CA C 13 59.389 0.300 . 1 . . . . 48 LYS CA . 10261 1 523 . 1 1 48 48 LYS CB C 13 32.610 0.300 . 1 . . . . 48 LYS CB . 10261 1 524 . 1 1 48 48 LYS CD C 13 29.552 0.300 . 1 . . . . 48 LYS CD . 10261 1 525 . 1 1 48 48 LYS CE C 13 42.047 0.300 . 1 . . . . 48 LYS CE . 10261 1 526 . 1 1 48 48 LYS CG C 13 25.256 0.300 . 1 . . . . 48 LYS CG . 10261 1 527 . 1 1 48 48 LYS N N 15 118.186 0.300 . 1 . . . . 48 LYS N . 10261 1 528 . 1 1 49 49 LEU H H 1 7.822 0.030 . 1 . . . . 49 LEU H . 10261 1 529 . 1 1 49 49 LEU HA H 1 4.012 0.030 . 1 . . . . 49 LEU HA . 10261 1 530 . 1 1 49 49 LEU HB2 H 1 2.585 0.030 . 2 . . . . 49 LEU HB2 . 10261 1 531 . 1 1 49 49 LEU HB3 H 1 1.459 0.030 . 2 . . . . 49 LEU HB3 . 10261 1 532 . 1 1 49 49 LEU HD11 H 1 1.006 0.030 . 1 . . . . 49 LEU HD1 . 10261 1 533 . 1 1 49 49 LEU HD12 H 1 1.006 0.030 . 1 . . . . 49 LEU HD1 . 10261 1 534 . 1 1 49 49 LEU HD13 H 1 1.006 0.030 . 1 . . . . 49 LEU HD1 . 10261 1 535 . 1 1 49 49 LEU HD21 H 1 1.051 0.030 . 1 . . . . 49 LEU HD2 . 10261 1 536 . 1 1 49 49 LEU HD22 H 1 1.051 0.030 . 1 . . . . 49 LEU HD2 . 10261 1 537 . 1 1 49 49 LEU HD23 H 1 1.051 0.030 . 1 . . . . 49 LEU HD2 . 10261 1 538 . 1 1 49 49 LEU HG H 1 1.567 0.030 . 1 . . . . 49 LEU HG . 10261 1 539 . 1 1 49 49 LEU C C 13 177.582 0.300 . 1 . . . . 49 LEU C . 10261 1 540 . 1 1 49 49 LEU CA C 13 58.490 0.300 . 1 . . . . 49 LEU CA . 10261 1 541 . 1 1 49 49 LEU CB C 13 42.119 0.300 . 1 . . . . 49 LEU CB . 10261 1 542 . 1 1 49 49 LEU CD1 C 13 23.916 0.300 . 2 . . . . 49 LEU CD1 . 10261 1 543 . 1 1 49 49 LEU CD2 C 13 26.636 0.300 . 2 . . . . 49 LEU CD2 . 10261 1 544 . 1 1 49 49 LEU CG C 13 27.123 0.300 . 1 . . . . 49 LEU CG . 10261 1 545 . 1 1 49 49 LEU N N 15 120.499 0.300 . 1 . . . . 49 LEU N . 10261 1 546 . 1 1 50 50 LEU H H 1 8.565 0.030 . 1 . . . . 50 LEU H . 10261 1 547 . 1 1 50 50 LEU HA H 1 3.994 0.030 . 1 . . . . 50 LEU HA . 10261 1 548 . 1 1 50 50 LEU HB2 H 1 1.899 0.030 . 2 . . . . 50 LEU HB2 . 10261 1 549 . 1 1 50 50 LEU HB3 H 1 1.609 0.030 . 2 . . . . 50 LEU HB3 . 10261 1 550 . 1 1 50 50 LEU HD11 H 1 0.870 0.030 . 1 . . . . 50 LEU HD1 . 10261 1 551 . 1 1 50 50 LEU HD12 H 1 0.870 0.030 . 1 . . . . 50 LEU HD1 . 10261 1 552 . 1 1 50 50 LEU HD13 H 1 0.870 0.030 . 1 . . . . 50 LEU HD1 . 10261 1 553 . 1 1 50 50 LEU HD21 H 1 0.920 0.030 . 1 . . . . 50 LEU HD2 . 10261 1 554 . 1 1 50 50 LEU HD22 H 1 0.920 0.030 . 1 . . . . 50 LEU HD2 . 10261 1 555 . 1 1 50 50 LEU HD23 H 1 0.920 0.030 . 1 . . . . 50 LEU HD2 . 10261 1 556 . 1 1 50 50 LEU HG H 1 1.884 0.030 . 1 . . . . 50 LEU HG . 10261 1 557 . 1 1 50 50 LEU C C 13 180.128 0.300 . 1 . . . . 50 LEU C . 10261 1 558 . 1 1 50 50 LEU CA C 13 58.330 0.300 . 1 . . . . 50 LEU CA . 10261 1 559 . 1 1 50 50 LEU CB C 13 41.060 0.300 . 1 . . . . 50 LEU CB . 10261 1 560 . 1 1 50 50 LEU CD1 C 13 22.783 0.300 . 2 . . . . 50 LEU CD1 . 10261 1 561 . 1 1 50 50 LEU CD2 C 13 25.016 0.300 . 2 . . . . 50 LEU CD2 . 10261 1 562 . 1 1 50 50 LEU CG C 13 26.965 0.300 . 1 . . . . 50 LEU CG . 10261 1 563 . 1 1 50 50 LEU N N 15 118.622 0.300 . 1 . . . . 50 LEU N . 10261 1 564 . 1 1 51 51 ASP H H 1 7.962 0.030 . 1 . . . . 51 ASP H . 10261 1 565 . 1 1 51 51 ASP HA H 1 4.480 0.030 . 1 . . . . 51 ASP HA . 10261 1 566 . 1 1 51 51 ASP HB2 H 1 2.795 0.030 . 1 . . . . 51 ASP HB2 . 10261 1 567 . 1 1 51 51 ASP HB3 H 1 2.795 0.030 . 1 . . . . 51 ASP HB3 . 10261 1 568 . 1 1 51 51 ASP C C 13 178.808 0.300 . 1 . . . . 51 ASP C . 10261 1 569 . 1 1 51 51 ASP CA C 13 57.802 0.300 . 1 . . . . 51 ASP CA . 10261 1 570 . 1 1 51 51 ASP CB C 13 41.435 0.300 . 1 . . . . 51 ASP CB . 10261 1 571 . 1 1 51 51 ASP N N 15 120.483 0.300 . 1 . . . . 51 ASP N . 10261 1 572 . 1 1 52 52 LEU H H 1 8.228 0.030 . 1 . . . . 52 LEU H . 10261 1 573 . 1 1 52 52 LEU HA H 1 4.006 0.030 . 1 . . . . 52 LEU HA . 10261 1 574 . 1 1 52 52 LEU HB2 H 1 2.080 0.030 . 2 . . . . 52 LEU HB2 . 10261 1 575 . 1 1 52 52 LEU HB3 H 1 1.370 0.030 . 2 . . . . 52 LEU HB3 . 10261 1 576 . 1 1 52 52 LEU HD11 H 1 0.820 0.030 . 1 . . . . 52 LEU HD1 . 10261 1 577 . 1 1 52 52 LEU HD12 H 1 0.820 0.030 . 1 . . . . 52 LEU HD1 . 10261 1 578 . 1 1 52 52 LEU HD13 H 1 0.820 0.030 . 1 . . . . 52 LEU HD1 . 10261 1 579 . 1 1 52 52 LEU HD21 H 1 0.857 0.030 . 1 . . . . 52 LEU HD2 . 10261 1 580 . 1 1 52 52 LEU HD22 H 1 0.857 0.030 . 1 . . . . 52 LEU HD2 . 10261 1 581 . 1 1 52 52 LEU HD23 H 1 0.857 0.030 . 1 . . . . 52 LEU HD2 . 10261 1 582 . 1 1 52 52 LEU HG H 1 1.884 0.030 . 1 . . . . 52 LEU HG . 10261 1 583 . 1 1 52 52 LEU C C 13 179.173 0.300 . 1 . . . . 52 LEU C . 10261 1 584 . 1 1 52 52 LEU CA C 13 58.190 0.300 . 1 . . . . 52 LEU CA . 10261 1 585 . 1 1 52 52 LEU CB C 13 43.222 0.300 . 1 . . . . 52 LEU CB . 10261 1 586 . 1 1 52 52 LEU CD1 C 13 26.691 0.300 . 2 . . . . 52 LEU CD1 . 10261 1 587 . 1 1 52 52 LEU CD2 C 13 22.514 0.300 . 2 . . . . 52 LEU CD2 . 10261 1 588 . 1 1 52 52 LEU CG C 13 26.887 0.300 . 1 . . . . 52 LEU CG . 10261 1 589 . 1 1 52 52 LEU N N 15 121.105 0.300 . 1 . . . . 52 LEU N . 10261 1 590 . 1 1 53 53 LYS H H 1 8.531 0.030 . 1 . . . . 53 LYS H . 10261 1 591 . 1 1 53 53 LYS HA H 1 3.872 0.030 . 1 . . . . 53 LYS HA . 10261 1 592 . 1 1 53 53 LYS HB2 H 1 1.956 0.030 . 2 . . . . 53 LYS HB2 . 10261 1 593 . 1 1 53 53 LYS HB3 H 1 1.882 0.030 . 2 . . . . 53 LYS HB3 . 10261 1 594 . 1 1 53 53 LYS HD2 H 1 1.634 0.030 . 1 . . . . 53 LYS HD2 . 10261 1 595 . 1 1 53 53 LYS HD3 H 1 1.634 0.030 . 1 . . . . 53 LYS HD3 . 10261 1 596 . 1 1 53 53 LYS HE2 H 1 2.885 0.030 . 2 . . . . 53 LYS HE2 . 10261 1 597 . 1 1 53 53 LYS HE3 H 1 2.750 0.030 . 2 . . . . 53 LYS HE3 . 10261 1 598 . 1 1 53 53 LYS HG2 H 1 1.829 0.030 . 2 . . . . 53 LYS HG2 . 10261 1 599 . 1 1 53 53 LYS HG3 H 1 1.436 0.030 . 2 . . . . 53 LYS HG3 . 10261 1 600 . 1 1 53 53 LYS C C 13 179.984 0.300 . 1 . . . . 53 LYS C . 10261 1 601 . 1 1 53 53 LYS CA C 13 60.699 0.300 . 1 . . . . 53 LYS CA . 10261 1 602 . 1 1 53 53 LYS CB C 13 32.239 0.300 . 1 . . . . 53 LYS CB . 10261 1 603 . 1 1 53 53 LYS CD C 13 29.767 0.300 . 1 . . . . 53 LYS CD . 10261 1 604 . 1 1 53 53 LYS CE C 13 41.816 0.300 . 1 . . . . 53 LYS CE . 10261 1 605 . 1 1 53 53 LYS CG C 13 26.965 0.300 . 1 . . . . 53 LYS CG . 10261 1 606 . 1 1 53 53 LYS N N 15 118.013 0.300 . 1 . . . . 53 LYS N . 10261 1 607 . 1 1 54 54 LYS H H 1 8.090 0.030 . 1 . . . . 54 LYS H . 10261 1 608 . 1 1 54 54 LYS HA H 1 4.165 0.030 . 1 . . . . 54 LYS HA . 10261 1 609 . 1 1 54 54 LYS HB2 H 1 2.064 0.030 . 1 . . . . 54 LYS HB2 . 10261 1 610 . 1 1 54 54 LYS HB3 H 1 2.064 0.030 . 1 . . . . 54 LYS HB3 . 10261 1 611 . 1 1 54 54 LYS HD2 H 1 1.713 0.030 . 2 . . . . 54 LYS HD2 . 10261 1 612 . 1 1 54 54 LYS HD3 H 1 1.622 0.030 . 2 . . . . 54 LYS HD3 . 10261 1 613 . 1 1 54 54 LYS HE2 H 1 2.939 0.030 . 2 . . . . 54 LYS HE2 . 10261 1 614 . 1 1 54 54 LYS HG2 H 1 1.631 0.030 . 2 . . . . 54 LYS HG2 . 10261 1 615 . 1 1 54 54 LYS HG3 H 1 1.445 0.030 . 2 . . . . 54 LYS HG3 . 10261 1 616 . 1 1 54 54 LYS C C 13 178.638 0.300 . 1 . . . . 54 LYS C . 10261 1 617 . 1 1 54 54 LYS CA C 13 59.847 0.300 . 1 . . . . 54 LYS CA . 10261 1 618 . 1 1 54 54 LYS CB C 13 32.116 0.300 . 1 . . . . 54 LYS CB . 10261 1 619 . 1 1 54 54 LYS CD C 13 29.602 0.300 . 1 . . . . 54 LYS CD . 10261 1 620 . 1 1 54 54 LYS CE C 13 42.193 0.300 . 1 . . . . 54 LYS CE . 10261 1 621 . 1 1 54 54 LYS CG C 13 25.029 0.300 . 1 . . . . 54 LYS CG . 10261 1 622 . 1 1 54 54 LYS N N 15 122.616 0.300 . 1 . . . . 54 LYS N . 10261 1 623 . 1 1 55 55 GLN H H 1 8.214 0.030 . 1 . . . . 55 GLN H . 10261 1 624 . 1 1 55 55 GLN HA H 1 3.976 0.030 . 1 . . . . 55 GLN HA . 10261 1 625 . 1 1 55 55 GLN HB2 H 1 2.280 0.030 . 2 . . . . 55 GLN HB2 . 10261 1 626 . 1 1 55 55 GLN HB3 H 1 2.152 0.030 . 2 . . . . 55 GLN HB3 . 10261 1 627 . 1 1 55 55 GLN HE21 H 1 7.327 0.030 . 2 . . . . 55 GLN HE21 . 10261 1 628 . 1 1 55 55 GLN HE22 H 1 6.807 0.030 . 2 . . . . 55 GLN HE22 . 10261 1 629 . 1 1 55 55 GLN HG2 H 1 2.641 0.030 . 2 . . . . 55 GLN HG2 . 10261 1 630 . 1 1 55 55 GLN HG3 H 1 2.317 0.030 . 2 . . . . 55 GLN HG3 . 10261 1 631 . 1 1 55 55 GLN C C 13 179.696 0.300 . 1 . . . . 55 GLN C . 10261 1 632 . 1 1 55 55 GLN CA C 13 59.177 0.300 . 1 . . . . 55 GLN CA . 10261 1 633 . 1 1 55 55 GLN CB C 13 29.400 0.300 . 1 . . . . 55 GLN CB . 10261 1 634 . 1 1 55 55 GLN CG C 13 34.531 0.300 . 1 . . . . 55 GLN CG . 10261 1 635 . 1 1 55 55 GLN N N 15 119.132 0.300 . 1 . . . . 55 GLN N . 10261 1 636 . 1 1 55 55 GLN NE2 N 15 112.125 0.300 . 1 . . . . 55 GLN NE2 . 10261 1 637 . 1 1 56 56 LEU H H 1 8.506 0.030 . 1 . . . . 56 LEU H . 10261 1 638 . 1 1 56 56 LEU HA H 1 4.116 0.030 . 1 . . . . 56 LEU HA . 10261 1 639 . 1 1 56 56 LEU HB2 H 1 2.021 0.030 . 2 . . . . 56 LEU HB2 . 10261 1 640 . 1 1 56 56 LEU HB3 H 1 1.393 0.030 . 2 . . . . 56 LEU HB3 . 10261 1 641 . 1 1 56 56 LEU HD11 H 1 0.943 0.030 . 1 . . . . 56 LEU HD1 . 10261 1 642 . 1 1 56 56 LEU HD12 H 1 0.943 0.030 . 1 . . . . 56 LEU HD1 . 10261 1 643 . 1 1 56 56 LEU HD13 H 1 0.943 0.030 . 1 . . . . 56 LEU HD1 . 10261 1 644 . 1 1 56 56 LEU HD21 H 1 0.974 0.030 . 1 . . . . 56 LEU HD2 . 10261 1 645 . 1 1 56 56 LEU HD22 H 1 0.974 0.030 . 1 . . . . 56 LEU HD2 . 10261 1 646 . 1 1 56 56 LEU HD23 H 1 0.974 0.030 . 1 . . . . 56 LEU HD2 . 10261 1 647 . 1 1 56 56 LEU HG H 1 1.650 0.030 . 1 . . . . 56 LEU HG . 10261 1 648 . 1 1 56 56 LEU C C 13 176.782 0.300 . 1 . . . . 56 LEU C . 10261 1 649 . 1 1 56 56 LEU CA C 13 57.925 0.300 . 1 . . . . 56 LEU CA . 10261 1 650 . 1 1 56 56 LEU CB C 13 41.465 0.300 . 1 . . . . 56 LEU CB . 10261 1 651 . 1 1 56 56 LEU CD1 C 13 27.047 0.300 . 2 . . . . 56 LEU CD1 . 10261 1 652 . 1 1 56 56 LEU CD2 C 13 24.143 0.300 . 2 . . . . 56 LEU CD2 . 10261 1 653 . 1 1 56 56 LEU CG C 13 27.130 0.300 . 1 . . . . 56 LEU CG . 10261 1 654 . 1 1 56 56 LEU N N 15 122.033 0.300 . 1 . . . . 56 LEU N . 10261 1 655 . 1 1 57 57 ALA H H 1 7.896 0.030 . 1 . . . . 57 ALA H . 10261 1 656 . 1 1 57 57 ALA HA H 1 4.232 0.030 . 1 . . . . 57 ALA HA . 10261 1 657 . 1 1 57 57 ALA HB1 H 1 1.521 0.030 . 1 . . . . 57 ALA HB . 10261 1 658 . 1 1 57 57 ALA HB2 H 1 1.521 0.030 . 1 . . . . 57 ALA HB . 10261 1 659 . 1 1 57 57 ALA HB3 H 1 1.521 0.030 . 1 . . . . 57 ALA HB . 10261 1 660 . 1 1 57 57 ALA C C 13 180.928 0.300 . 1 . . . . 57 ALA C . 10261 1 661 . 1 1 57 57 ALA CA C 13 55.246 0.300 . 1 . . . . 57 ALA CA . 10261 1 662 . 1 1 57 57 ALA CB C 13 17.776 0.300 . 1 . . . . 57 ALA CB . 10261 1 663 . 1 1 57 57 ALA N N 15 121.379 0.300 . 1 . . . . 57 ALA N . 10261 1 664 . 1 1 58 58 VAL H H 1 7.973 0.030 . 1 . . . . 58 VAL H . 10261 1 665 . 1 1 58 58 VAL HA H 1 3.761 0.030 . 1 . . . . 58 VAL HA . 10261 1 666 . 1 1 58 58 VAL HB H 1 2.134 0.030 . 1 . . . . 58 VAL HB . 10261 1 667 . 1 1 58 58 VAL HG11 H 1 1.084 0.030 . 1 . . . . 58 VAL HG1 . 10261 1 668 . 1 1 58 58 VAL HG12 H 1 1.084 0.030 . 1 . . . . 58 VAL HG1 . 10261 1 669 . 1 1 58 58 VAL HG13 H 1 1.084 0.030 . 1 . . . . 58 VAL HG1 . 10261 1 670 . 1 1 58 58 VAL HG21 H 1 0.950 0.030 . 1 . . . . 58 VAL HG2 . 10261 1 671 . 1 1 58 58 VAL HG22 H 1 0.950 0.030 . 1 . . . . 58 VAL HG2 . 10261 1 672 . 1 1 58 58 VAL HG23 H 1 0.950 0.030 . 1 . . . . 58 VAL HG2 . 10261 1 673 . 1 1 58 58 VAL C C 13 179.410 0.300 . 1 . . . . 58 VAL C . 10261 1 674 . 1 1 58 58 VAL CA C 13 65.807 0.300 . 1 . . . . 58 VAL CA . 10261 1 675 . 1 1 58 58 VAL CB C 13 31.978 0.300 . 1 . . . . 58 VAL CB . 10261 1 676 . 1 1 58 58 VAL CG1 C 13 22.592 0.300 . 2 . . . . 58 VAL CG1 . 10261 1 677 . 1 1 58 58 VAL CG2 C 13 21.173 0.300 . 2 . . . . 58 VAL CG2 . 10261 1 678 . 1 1 58 58 VAL N N 15 117.592 0.300 . 1 . . . . 58 VAL N . 10261 1 679 . 1 1 59 59 ALA H H 1 8.024 0.030 . 1 . . . . 59 ALA H . 10261 1 680 . 1 1 59 59 ALA HA H 1 4.133 0.030 . 1 . . . . 59 ALA HA . 10261 1 681 . 1 1 59 59 ALA HB1 H 1 1.447 0.030 . 1 . . . . 59 ALA HB . 10261 1 682 . 1 1 59 59 ALA HB2 H 1 1.447 0.030 . 1 . . . . 59 ALA HB . 10261 1 683 . 1 1 59 59 ALA HB3 H 1 1.447 0.030 . 1 . . . . 59 ALA HB . 10261 1 684 . 1 1 59 59 ALA C C 13 179.359 0.300 . 1 . . . . 59 ALA C . 10261 1 685 . 1 1 59 59 ALA CA C 13 54.805 0.300 . 1 . . . . 59 ALA CA . 10261 1 686 . 1 1 59 59 ALA CB C 13 18.513 0.300 . 1 . . . . 59 ALA CB . 10261 1 687 . 1 1 59 59 ALA N N 15 124.023 0.300 . 1 . . . . 59 ALA N . 10261 1 688 . 1 1 60 60 GLU H H 1 8.334 0.030 . 1 . . . . 60 GLU H . 10261 1 689 . 1 1 60 60 GLU HA H 1 4.143 0.030 . 1 . . . . 60 GLU HA . 10261 1 690 . 1 1 60 60 GLU HB2 H 1 2.154 0.030 . 2 . . . . 60 GLU HB2 . 10261 1 691 . 1 1 60 60 GLU HB3 H 1 2.056 0.030 . 2 . . . . 60 GLU HB3 . 10261 1 692 . 1 1 60 60 GLU HG2 H 1 2.506 0.030 . 2 . . . . 60 GLU HG2 . 10261 1 693 . 1 1 60 60 GLU HG3 H 1 2.127 0.030 . 2 . . . . 60 GLU HG3 . 10261 1 694 . 1 1 60 60 GLU C C 13 177.391 0.300 . 1 . . . . 60 GLU C . 10261 1 695 . 1 1 60 60 GLU CA C 13 57.915 0.300 . 1 . . . . 60 GLU CA . 10261 1 696 . 1 1 60 60 GLU CB C 13 30.962 0.300 . 1 . . . . 60 GLU CB . 10261 1 697 . 1 1 60 60 GLU CG C 13 37.479 0.300 . 1 . . . . 60 GLU CG . 10261 1 698 . 1 1 60 60 GLU N N 15 115.335 0.300 . 1 . . . . 60 GLU N . 10261 1 699 . 1 1 61 61 GLY H H 1 7.845 0.030 . 1 . . . . 61 GLY H . 10261 1 700 . 1 1 61 61 GLY HA2 H 1 3.958 0.030 . 1 . . . . 61 GLY HA2 . 10261 1 701 . 1 1 61 61 GLY HA3 H 1 3.958 0.030 . 1 . . . . 61 GLY HA3 . 10261 1 702 . 1 1 61 61 GLY C C 13 174.090 0.300 . 1 . . . . 61 GLY C . 10261 1 703 . 1 1 61 61 GLY CA C 13 45.654 0.300 . 1 . . . . 61 GLY CA . 10261 1 704 . 1 1 61 61 GLY N N 15 107.486 0.300 . 1 . . . . 61 GLY N . 10261 1 705 . 1 1 62 62 LYS H H 1 8.068 0.030 . 1 . . . . 62 LYS H . 10261 1 706 . 1 1 62 62 LYS HA H 1 4.612 0.030 . 1 . . . . 62 LYS HA . 10261 1 707 . 1 1 62 62 LYS HB2 H 1 1.813 0.030 . 2 . . . . 62 LYS HB2 . 10261 1 708 . 1 1 62 62 LYS HB3 H 1 1.688 0.030 . 2 . . . . 62 LYS HB3 . 10261 1 709 . 1 1 62 62 LYS HD2 H 1 1.686 0.030 . 1 . . . . 62 LYS HD2 . 10261 1 710 . 1 1 62 62 LYS HD3 H 1 1.686 0.030 . 1 . . . . 62 LYS HD3 . 10261 1 711 . 1 1 62 62 LYS HE2 H 1 2.969 0.030 . 1 . . . . 62 LYS HE2 . 10261 1 712 . 1 1 62 62 LYS HE3 H 1 2.969 0.030 . 1 . . . . 62 LYS HE3 . 10261 1 713 . 1 1 62 62 LYS HG2 H 1 1.449 0.030 . 1 . . . . 62 LYS HG2 . 10261 1 714 . 1 1 62 62 LYS HG3 H 1 1.449 0.030 . 1 . . . . 62 LYS HG3 . 10261 1 715 . 1 1 62 62 LYS C C 13 174.023 0.300 . 1 . . . . 62 LYS C . 10261 1 716 . 1 1 62 62 LYS CA C 13 54.147 0.300 . 1 . . . . 62 LYS CA . 10261 1 717 . 1 1 62 62 LYS CB C 13 32.651 0.300 . 1 . . . . 62 LYS CB . 10261 1 718 . 1 1 62 62 LYS CD C 13 29.365 0.300 . 1 . . . . 62 LYS CD . 10261 1 719 . 1 1 62 62 LYS CE C 13 42.263 0.300 . 1 . . . . 62 LYS CE . 10261 1 720 . 1 1 62 62 LYS CG C 13 24.659 0.300 . 1 . . . . 62 LYS CG . 10261 1 721 . 1 1 62 62 LYS N N 15 121.672 0.300 . 1 . . . . 62 LYS N . 10261 1 722 . 1 1 63 63 PRO HA H 1 4.692 0.030 . 1 . . . . 63 PRO HA . 10261 1 723 . 1 1 63 63 PRO HB2 H 1 2.347 0.030 . 2 . . . . 63 PRO HB2 . 10261 1 724 . 1 1 63 63 PRO HB3 H 1 1.912 0.030 . 2 . . . . 63 PRO HB3 . 10261 1 725 . 1 1 63 63 PRO HD2 H 1 3.833 0.030 . 2 . . . . 63 PRO HD2 . 10261 1 726 . 1 1 63 63 PRO HD3 H 1 3.595 0.030 . 2 . . . . 63 PRO HD3 . 10261 1 727 . 1 1 63 63 PRO HG2 H 1 2.043 0.030 . 1 . . . . 63 PRO HG2 . 10261 1 728 . 1 1 63 63 PRO HG3 H 1 2.043 0.030 . 1 . . . . 63 PRO HG3 . 10261 1 729 . 1 1 63 63 PRO CA C 13 61.351 0.300 . 1 . . . . 63 PRO CA . 10261 1 730 . 1 1 63 63 PRO CB C 13 30.892 0.300 . 1 . . . . 63 PRO CB . 10261 1 731 . 1 1 63 63 PRO CD C 13 50.542 0.300 . 1 . . . . 63 PRO CD . 10261 1 732 . 1 1 63 63 PRO CG C 13 27.448 0.300 . 1 . . . . 63 PRO CG . 10261 1 733 . 1 1 64 64 PRO HA H 1 4.408 0.030 . 1 . . . . 64 PRO HA . 10261 1 734 . 1 1 64 64 PRO HB2 H 1 2.290 0.030 . 2 . . . . 64 PRO HB2 . 10261 1 735 . 1 1 64 64 PRO HB3 H 1 1.908 0.030 . 2 . . . . 64 PRO HB3 . 10261 1 736 . 1 1 64 64 PRO HD2 H 1 3.809 0.030 . 2 . . . . 64 PRO HD2 . 10261 1 737 . 1 1 64 64 PRO HD3 H 1 3.660 0.030 . 2 . . . . 64 PRO HD3 . 10261 1 738 . 1 1 64 64 PRO HG2 H 1 2.031 0.030 . 1 . . . . 64 PRO HG2 . 10261 1 739 . 1 1 64 64 PRO HG3 H 1 2.031 0.030 . 1 . . . . 64 PRO HG3 . 10261 1 740 . 1 1 64 64 PRO C C 13 176.775 0.300 . 1 . . . . 64 PRO C . 10261 1 741 . 1 1 64 64 PRO CA C 13 62.926 0.300 . 1 . . . . 64 PRO CA . 10261 1 742 . 1 1 64 64 PRO CB C 13 32.074 0.300 . 1 . . . . 64 PRO CB . 10261 1 743 . 1 1 64 64 PRO CD C 13 50.535 0.300 . 1 . . . . 64 PRO CD . 10261 1 744 . 1 1 64 64 PRO CG C 13 27.459 0.300 . 1 . . . . 64 PRO CG . 10261 1 745 . 1 1 65 65 GLU H H 1 8.396 0.030 . 1 . . . . 65 GLU H . 10261 1 746 . 1 1 65 65 GLU HA H 1 4.243 0.030 . 1 . . . . 65 GLU HA . 10261 1 747 . 1 1 65 65 GLU HB2 H 1 1.992 0.030 . 2 . . . . 65 GLU HB2 . 10261 1 748 . 1 1 65 65 GLU HB3 H 1 1.902 0.030 . 2 . . . . 65 GLU HB3 . 10261 1 749 . 1 1 65 65 GLU HG2 H 1 2.263 0.030 . 1 . . . . 65 GLU HG2 . 10261 1 750 . 1 1 65 65 GLU HG3 H 1 2.263 0.030 . 1 . . . . 65 GLU HG3 . 10261 1 751 . 1 1 65 65 GLU C C 13 175.888 0.300 . 1 . . . . 65 GLU C . 10261 1 752 . 1 1 65 65 GLU CA C 13 56.083 0.300 . 1 . . . . 65 GLU CA . 10261 1 753 . 1 1 65 65 GLU CB C 13 30.722 0.300 . 1 . . . . 65 GLU CB . 10261 1 754 . 1 1 65 65 GLU CG C 13 36.360 0.300 . 1 . . . . 65 GLU CG . 10261 1 755 . 1 1 65 65 GLU N N 15 121.093 0.300 . 1 . . . . 65 GLU N . 10261 1 756 . 1 1 66 66 ALA H H 1 8.434 0.030 . 1 . . . . 66 ALA H . 10261 1 757 . 1 1 66 66 ALA HA H 1 4.583 0.030 . 1 . . . . 66 ALA HA . 10261 1 758 . 1 1 66 66 ALA HB1 H 1 1.354 0.030 . 1 . . . . 66 ALA HB . 10261 1 759 . 1 1 66 66 ALA HB2 H 1 1.354 0.030 . 1 . . . . 66 ALA HB . 10261 1 760 . 1 1 66 66 ALA HB3 H 1 1.354 0.030 . 1 . . . . 66 ALA HB . 10261 1 761 . 1 1 66 66 ALA C C 13 175.504 0.300 . 1 . . . . 66 ALA C . 10261 1 762 . 1 1 66 66 ALA CA C 13 50.482 0.300 . 1 . . . . 66 ALA CA . 10261 1 763 . 1 1 66 66 ALA CB C 13 18.108 0.300 . 1 . . . . 66 ALA CB . 10261 1 764 . 1 1 66 66 ALA N N 15 127.348 0.300 . 1 . . . . 66 ALA N . 10261 1 765 . 1 1 67 67 PRO HA H 1 4.408 0.030 . 1 . . . . 67 PRO HA . 10261 1 766 . 1 1 67 67 PRO HB2 H 1 2.299 0.030 . 2 . . . . 67 PRO HB2 . 10261 1 767 . 1 1 67 67 PRO HB3 H 1 1.875 0.030 . 2 . . . . 67 PRO HB3 . 10261 1 768 . 1 1 67 67 PRO HD2 H 1 3.804 0.030 . 2 . . . . 67 PRO HD2 . 10261 1 769 . 1 1 67 67 PRO HD3 H 1 3.597 0.030 . 2 . . . . 67 PRO HD3 . 10261 1 770 . 1 1 67 67 PRO HG2 H 1 2.019 0.030 . 1 . . . . 67 PRO HG2 . 10261 1 771 . 1 1 67 67 PRO HG3 H 1 2.019 0.030 . 1 . . . . 67 PRO HG3 . 10261 1 772 . 1 1 67 67 PRO C C 13 177.111 0.300 . 1 . . . . 67 PRO C . 10261 1 773 . 1 1 67 67 PRO CA C 13 63.056 0.300 . 1 . . . . 67 PRO CA . 10261 1 774 . 1 1 67 67 PRO CB C 13 32.074 0.300 . 1 . . . . 67 PRO CB . 10261 1 775 . 1 1 67 67 PRO CD C 13 50.535 0.300 . 1 . . . . 67 PRO CD . 10261 1 776 . 1 1 67 67 PRO CG C 13 27.624 0.300 . 1 . . . . 67 PRO CG . 10261 1 777 . 1 1 68 68 LYS H H 1 8.479 0.030 . 1 . . . . 68 LYS H . 10261 1 778 . 1 1 68 68 LYS HA H 1 4.291 0.030 . 1 . . . . 68 LYS HA . 10261 1 779 . 1 1 68 68 LYS HB2 H 1 1.803 0.030 . 1 . . . . 68 LYS HB2 . 10261 1 780 . 1 1 68 68 LYS HB3 H 1 1.803 0.030 . 1 . . . . 68 LYS HB3 . 10261 1 781 . 1 1 68 68 LYS HD2 H 1 1.693 0.030 . 1 . . . . 68 LYS HD2 . 10261 1 782 . 1 1 68 68 LYS HD3 H 1 1.693 0.030 . 1 . . . . 68 LYS HD3 . 10261 1 783 . 1 1 68 68 LYS HE2 H 1 3.002 0.030 . 1 . . . . 68 LYS HE2 . 10261 1 784 . 1 1 68 68 LYS HE3 H 1 3.002 0.030 . 1 . . . . 68 LYS HE3 . 10261 1 785 . 1 1 68 68 LYS HG2 H 1 1.478 0.030 . 1 . . . . 68 LYS HG2 . 10261 1 786 . 1 1 68 68 LYS HG3 H 1 1.478 0.030 . 1 . . . . 68 LYS HG3 . 10261 1 787 . 1 1 68 68 LYS C C 13 177.292 0.300 . 1 . . . . 68 LYS C . 10261 1 788 . 1 1 68 68 LYS CA C 13 56.322 0.300 . 1 . . . . 68 LYS CA . 10261 1 789 . 1 1 68 68 LYS CB C 13 33.146 0.300 . 1 . . . . 68 LYS CB . 10261 1 790 . 1 1 68 68 LYS CD C 13 29.190 0.300 . 1 . . . . 68 LYS CD . 10261 1 791 . 1 1 68 68 LYS CE C 13 42.129 0.300 . 1 . . . . 68 LYS CE . 10261 1 792 . 1 1 68 68 LYS CG C 13 24.839 0.300 . 1 . . . . 68 LYS CG . 10261 1 793 . 1 1 68 68 LYS N N 15 121.836 0.300 . 1 . . . . 68 LYS N . 10261 1 794 . 1 1 69 69 GLY H H 1 8.387 0.030 . 1 . . . . 69 GLY H . 10261 1 795 . 1 1 69 69 GLY HA2 H 1 3.948 0.030 . 1 . . . . 69 GLY HA2 . 10261 1 796 . 1 1 69 69 GLY HA3 H 1 3.948 0.030 . 1 . . . . 69 GLY HA3 . 10261 1 797 . 1 1 69 69 GLY C C 13 173.940 0.300 . 1 . . . . 69 GLY C . 10261 1 798 . 1 1 69 69 GLY CA C 13 45.160 0.300 . 1 . . . . 69 GLY CA . 10261 1 799 . 1 1 69 69 GLY N N 15 109.796 0.300 . 1 . . . . 69 GLY N . 10261 1 800 . 1 1 70 70 LYS H H 1 8.196 0.030 . 1 . . . . 70 LYS H . 10261 1 801 . 1 1 70 70 LYS HA H 1 4.318 0.030 . 1 . . . . 70 LYS HA . 10261 1 802 . 1 1 70 70 LYS HB2 H 1 1.812 0.030 . 1 . . . . 70 LYS HB2 . 10261 1 803 . 1 1 70 70 LYS HB3 H 1 1.812 0.030 . 1 . . . . 70 LYS HB3 . 10261 1 804 . 1 1 70 70 LYS HD2 H 1 1.668 0.030 . 1 . . . . 70 LYS HD2 . 10261 1 805 . 1 1 70 70 LYS HD3 H 1 1.668 0.030 . 1 . . . . 70 LYS HD3 . 10261 1 806 . 1 1 70 70 LYS HE2 H 1 2.984 0.030 . 1 . . . . 70 LYS HE2 . 10261 1 807 . 1 1 70 70 LYS HE3 H 1 2.984 0.030 . 1 . . . . 70 LYS HE3 . 10261 1 808 . 1 1 70 70 LYS HG2 H 1 1.397 0.030 . 1 . . . . 70 LYS HG2 . 10261 1 809 . 1 1 70 70 LYS HG3 H 1 1.397 0.030 . 1 . . . . 70 LYS HG3 . 10261 1 810 . 1 1 70 70 LYS C C 13 176.642 0.300 . 1 . . . . 70 LYS C . 10261 1 811 . 1 1 70 70 LYS CA C 13 56.127 0.300 . 1 . . . . 70 LYS CA . 10261 1 812 . 1 1 70 70 LYS CB C 13 33.272 0.300 . 1 . . . . 70 LYS CB . 10261 1 813 . 1 1 70 70 LYS CD C 13 29.190 0.300 . 1 . . . . 70 LYS CD . 10261 1 814 . 1 1 70 70 LYS CE C 13 42.212 0.300 . 1 . . . . 70 LYS CE . 10261 1 815 . 1 1 70 70 LYS CG C 13 24.740 0.300 . 1 . . . . 70 LYS CG . 10261 1 816 . 1 1 70 70 LYS N N 15 121.044 0.300 . 1 . . . . 70 LYS N . 10261 1 817 . 1 1 71 71 LYS H H 1 8.348 0.030 . 1 . . . . 71 LYS H . 10261 1 818 . 1 1 71 71 LYS HA H 1 4.273 0.030 . 1 . . . . 71 LYS HA . 10261 1 819 . 1 1 71 71 LYS HB2 H 1 1.749 0.030 . 1 . . . . 71 LYS HB2 . 10261 1 820 . 1 1 71 71 LYS HB3 H 1 1.749 0.030 . 1 . . . . 71 LYS HB3 . 10261 1 821 . 1 1 71 71 LYS HD2 H 1 1.695 0.030 . 1 . . . . 71 LYS HD2 . 10261 1 822 . 1 1 71 71 LYS HD3 H 1 1.695 0.030 . 1 . . . . 71 LYS HD3 . 10261 1 823 . 1 1 71 71 LYS HE2 H 1 2.993 0.030 . 1 . . . . 71 LYS HE2 . 10261 1 824 . 1 1 71 71 LYS HE3 H 1 2.993 0.030 . 1 . . . . 71 LYS HE3 . 10261 1 825 . 1 1 71 71 LYS HG2 H 1 1.424 0.030 . 1 . . . . 71 LYS HG2 . 10261 1 826 . 1 1 71 71 LYS HG3 H 1 1.424 0.030 . 1 . . . . 71 LYS HG3 . 10261 1 827 . 1 1 71 71 LYS C C 13 176.548 0.300 . 1 . . . . 71 LYS C . 10261 1 828 . 1 1 71 71 LYS CA C 13 56.285 0.300 . 1 . . . . 71 LYS CA . 10261 1 829 . 1 1 71 71 LYS CB C 13 33.270 0.300 . 1 . . . . 71 LYS CB . 10261 1 830 . 1 1 71 71 LYS CD C 13 29.190 0.300 . 1 . . . . 71 LYS CD . 10261 1 831 . 1 1 71 71 LYS CE C 13 42.129 0.300 . 1 . . . . 71 LYS CE . 10261 1 832 . 1 1 71 71 LYS CG C 13 24.822 0.300 . 1 . . . . 71 LYS CG . 10261 1 833 . 1 1 71 71 LYS N N 15 123.152 0.300 . 1 . . . . 71 LYS N . 10261 1 834 . 1 1 72 72 LYS H H 1 8.405 0.030 . 1 . . . . 72 LYS H . 10261 1 835 . 1 1 72 72 LYS HA H 1 4.273 0.030 . 1 . . . . 72 LYS HA . 10261 1 836 . 1 1 72 72 LYS C C 13 176.499 0.300 . 1 . . . . 72 LYS C . 10261 1 837 . 1 1 72 72 LYS CA C 13 56.356 0.300 . 1 . . . . 72 LYS CA . 10261 1 838 . 1 1 72 72 LYS CB C 13 33.146 0.300 . 1 . . . . 72 LYS CB . 10261 1 839 . 1 1 72 72 LYS N N 15 123.826 0.300 . 1 . . . . 72 LYS N . 10261 1 stop_ save_