data_10299 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10299 _Entry.Title ; Solution structures of the fn3 domain of human Tripartite motif protein 9 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-24 _Entry.Accession_date 2008-12-24 _Entry.Last_release_date 2010-01-11 _Entry.Original_release_date 2010-01-11 _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 . . . 10299 2 S. Koshiba . . . 10299 3 M. Inoue . . . 10299 4 T. Kigawa . . . 10299 5 S. Yokoyama . . . 10299 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' 10299 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10299 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 414 10299 '15N chemical shifts' 101 10299 '1H chemical shifts' 678 10299 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 . . 2010-01-11 2008-12-24 original author . 10299 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DB8 'BMRB Entry Tracking System' 10299 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10299 _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 fn3 domain of human Tripartite motif protein 9' _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 . . . 10299 1 2 S. Koshiba . . . 10299 1 3 M. Inoue . . . 10299 1 4 T. Kigawa . . . 10299 1 5 S. Yokoyama . . . 10299 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10299 _Assembly.ID 1 _Assembly.Name 'Tripartite motif protein 9, isoform 2' _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 'Fibronectin type III domain' 1 $entity_1 . . yes native no no . . . 10299 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 2DB8 . . . . . . 10299 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10299 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Fibronectin type III 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 ; GSSGSSGPVPATPILQLEEC CTHNNSATLSWKQPPLSTVP ADGYILELDDGNGGQFREVY VGKETMCTVDGLHFNSTYNA RVKAFNKTGVSPYSKTLVLQ TSEGSGPSSG ; _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 110 _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 2DB8 . "Solution Structures Of The Fn3 Domain Of Human Tripartite Motif Protein 9" . . . . . 100.00 110 100.00 100.00 1.30e-73 . . . . 10299 1 2 no DBJ BAA13398 . "KIAA0282 [Homo sapiens]" . . . . . 90.00 711 97.98 98.99 1.92e-59 . . . . 10299 1 3 no DBJ BAB70913 . "unnamed protein product [Homo sapiens]" . . . . . 88.18 802 97.94 98.97 6.59e-58 . . . . 10299 1 4 no DBJ BAG09692 . "tripartite motif-containing protein 9 [synthetic construct]" . . . . . 90.00 664 97.98 98.99 7.35e-60 . . . . 10299 1 5 no GB AAG53490 . "tripartite motif protein TRIM9 isoform alpha [Homo sapiens]" . . . . . 90.00 664 97.98 98.99 7.35e-60 . . . . 10299 1 6 no GB AAG53491 . "tripartite motif protein TRIM9 isoform beta [Homo sapiens]" . . . . . 90.00 710 97.98 98.99 1.28e-59 . . . . 10299 1 7 no GB AAG53492 . "tripartite motif protein TRIM9 isoform gamma [Homo sapiens]" . . . . . 90.00 664 97.98 98.99 6.63e-60 . . . . 10299 1 8 no GB AAH63872 . "Tripartite motif-containing 9 [Homo sapiens]" . . . . . 90.00 710 97.98 98.99 1.39e-59 . . . . 10299 1 9 no GB EAW65681 . "tripartite motif-containing 9, isoform CRA_b [Homo sapiens]" . . . . . 90.00 710 97.98 98.99 1.28e-59 . . . . 10299 1 10 no REF NP_055978 . "E3 ubiquitin-protein ligase TRIM9 isoform 1 [Homo sapiens]" . . . . . 90.00 710 97.98 98.99 1.28e-59 . . . . 10299 1 11 no REF XP_001102351 . "PREDICTED: tripartite motif-containing protein 9 isoform 1 [Macaca mulatta]" . . . . . 88.18 802 97.94 98.97 6.46e-58 . . . . 10299 1 12 no REF XP_001156684 . "PREDICTED: E3 ubiquitin-protein ligase TRIM9 isoform X6 [Pan troglodytes]" . . . . . 90.00 710 97.98 98.99 1.36e-59 . . . . 10299 1 13 no REF XP_002824781 . "PREDICTED: E3 ubiquitin-protein ligase TRIM9 [Pongo abelii]" . . . . . 90.00 807 97.98 98.99 5.76e-59 . . . . 10299 1 14 no REF XP_003267727 . "PREDICTED: E3 ubiquitin-protein ligase TRIM9 isoform X2 [Nomascus leucogenys]" . . . . . 90.00 710 97.98 98.99 1.21e-59 . . . . 10299 1 15 no SP Q9C026 . "RecName: Full=E3 ubiquitin-protein ligase TRIM9; AltName: Full=RING finger protein 91; AltName: Full=Tripartite motif-containin" . . . . . 90.00 710 97.98 98.99 1.28e-59 . . . . 10299 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Fibronectin type III domain' . 10299 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 . 10299 1 2 . SER . 10299 1 3 . SER . 10299 1 4 . GLY . 10299 1 5 . SER . 10299 1 6 . SER . 10299 1 7 . GLY . 10299 1 8 . PRO . 10299 1 9 . VAL . 10299 1 10 . PRO . 10299 1 11 . ALA . 10299 1 12 . THR . 10299 1 13 . PRO . 10299 1 14 . ILE . 10299 1 15 . LEU . 10299 1 16 . GLN . 10299 1 17 . LEU . 10299 1 18 . GLU . 10299 1 19 . GLU . 10299 1 20 . CYS . 10299 1 21 . CYS . 10299 1 22 . THR . 10299 1 23 . HIS . 10299 1 24 . ASN . 10299 1 25 . ASN . 10299 1 26 . SER . 10299 1 27 . ALA . 10299 1 28 . THR . 10299 1 29 . LEU . 10299 1 30 . SER . 10299 1 31 . TRP . 10299 1 32 . LYS . 10299 1 33 . GLN . 10299 1 34 . PRO . 10299 1 35 . PRO . 10299 1 36 . LEU . 10299 1 37 . SER . 10299 1 38 . THR . 10299 1 39 . VAL . 10299 1 40 . PRO . 10299 1 41 . ALA . 10299 1 42 . ASP . 10299 1 43 . GLY . 10299 1 44 . TYR . 10299 1 45 . ILE . 10299 1 46 . LEU . 10299 1 47 . GLU . 10299 1 48 . LEU . 10299 1 49 . ASP . 10299 1 50 . ASP . 10299 1 51 . GLY . 10299 1 52 . ASN . 10299 1 53 . GLY . 10299 1 54 . GLY . 10299 1 55 . GLN . 10299 1 56 . PHE . 10299 1 57 . ARG . 10299 1 58 . GLU . 10299 1 59 . VAL . 10299 1 60 . TYR . 10299 1 61 . VAL . 10299 1 62 . GLY . 10299 1 63 . LYS . 10299 1 64 . GLU . 10299 1 65 . THR . 10299 1 66 . MET . 10299 1 67 . CYS . 10299 1 68 . THR . 10299 1 69 . VAL . 10299 1 70 . ASP . 10299 1 71 . GLY . 10299 1 72 . LEU . 10299 1 73 . HIS . 10299 1 74 . PHE . 10299 1 75 . ASN . 10299 1 76 . SER . 10299 1 77 . THR . 10299 1 78 . TYR . 10299 1 79 . ASN . 10299 1 80 . ALA . 10299 1 81 . ARG . 10299 1 82 . VAL . 10299 1 83 . LYS . 10299 1 84 . ALA . 10299 1 85 . PHE . 10299 1 86 . ASN . 10299 1 87 . LYS . 10299 1 88 . THR . 10299 1 89 . GLY . 10299 1 90 . VAL . 10299 1 91 . SER . 10299 1 92 . PRO . 10299 1 93 . TYR . 10299 1 94 . SER . 10299 1 95 . LYS . 10299 1 96 . THR . 10299 1 97 . LEU . 10299 1 98 . VAL . 10299 1 99 . LEU . 10299 1 100 . GLN . 10299 1 101 . THR . 10299 1 102 . SER . 10299 1 103 . GLU . 10299 1 104 . GLY . 10299 1 105 . SER . 10299 1 106 . GLY . 10299 1 107 . PRO . 10299 1 108 . SER . 10299 1 109 . SER . 10299 1 110 . GLY . 10299 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 10299 1 . SER 2 2 10299 1 . SER 3 3 10299 1 . GLY 4 4 10299 1 . SER 5 5 10299 1 . SER 6 6 10299 1 . GLY 7 7 10299 1 . PRO 8 8 10299 1 . VAL 9 9 10299 1 . PRO 10 10 10299 1 . ALA 11 11 10299 1 . THR 12 12 10299 1 . PRO 13 13 10299 1 . ILE 14 14 10299 1 . LEU 15 15 10299 1 . GLN 16 16 10299 1 . LEU 17 17 10299 1 . GLU 18 18 10299 1 . GLU 19 19 10299 1 . CYS 20 20 10299 1 . CYS 21 21 10299 1 . THR 22 22 10299 1 . HIS 23 23 10299 1 . ASN 24 24 10299 1 . ASN 25 25 10299 1 . SER 26 26 10299 1 . ALA 27 27 10299 1 . THR 28 28 10299 1 . LEU 29 29 10299 1 . SER 30 30 10299 1 . TRP 31 31 10299 1 . LYS 32 32 10299 1 . GLN 33 33 10299 1 . PRO 34 34 10299 1 . PRO 35 35 10299 1 . LEU 36 36 10299 1 . SER 37 37 10299 1 . THR 38 38 10299 1 . VAL 39 39 10299 1 . PRO 40 40 10299 1 . ALA 41 41 10299 1 . ASP 42 42 10299 1 . GLY 43 43 10299 1 . TYR 44 44 10299 1 . ILE 45 45 10299 1 . LEU 46 46 10299 1 . GLU 47 47 10299 1 . LEU 48 48 10299 1 . ASP 49 49 10299 1 . ASP 50 50 10299 1 . GLY 51 51 10299 1 . ASN 52 52 10299 1 . GLY 53 53 10299 1 . GLY 54 54 10299 1 . GLN 55 55 10299 1 . PHE 56 56 10299 1 . ARG 57 57 10299 1 . GLU 58 58 10299 1 . VAL 59 59 10299 1 . TYR 60 60 10299 1 . VAL 61 61 10299 1 . GLY 62 62 10299 1 . LYS 63 63 10299 1 . GLU 64 64 10299 1 . THR 65 65 10299 1 . MET 66 66 10299 1 . CYS 67 67 10299 1 . THR 68 68 10299 1 . VAL 69 69 10299 1 . ASP 70 70 10299 1 . GLY 71 71 10299 1 . LEU 72 72 10299 1 . HIS 73 73 10299 1 . PHE 74 74 10299 1 . ASN 75 75 10299 1 . SER 76 76 10299 1 . THR 77 77 10299 1 . TYR 78 78 10299 1 . ASN 79 79 10299 1 . ALA 80 80 10299 1 . ARG 81 81 10299 1 . VAL 82 82 10299 1 . LYS 83 83 10299 1 . ALA 84 84 10299 1 . PHE 85 85 10299 1 . ASN 86 86 10299 1 . LYS 87 87 10299 1 . THR 88 88 10299 1 . GLY 89 89 10299 1 . VAL 90 90 10299 1 . SER 91 91 10299 1 . PRO 92 92 10299 1 . TYR 93 93 10299 1 . SER 94 94 10299 1 . LYS 95 95 10299 1 . THR 96 96 10299 1 . LEU 97 97 10299 1 . VAL 98 98 10299 1 . LEU 99 99 10299 1 . GLN 100 100 10299 1 . THR 101 101 10299 1 . SER 102 102 10299 1 . GLU 103 103 10299 1 . GLY 104 104 10299 1 . SER 105 105 10299 1 . GLY 106 106 10299 1 . PRO 107 107 10299 1 . SER 108 108 10299 1 . SER 109 109 10299 1 . GLY 110 110 10299 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 10299 _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 . . . . . . . . . . . . . . . . . . . . . 10299 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 10299 _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 . . P040921-16 . . . . . . 10299 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10299 _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 'fn3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 10299 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10299 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10299 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10299 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10299 1 6 H2O . . . . . . solvent 90 . . % . . . . 10299 1 7 D2O . . . . . . solvent 10 . . % . . . . 10299 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 10299 _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 10299 1 pH 7.0 0.05 pH 10299 1 pressure 1 0.001 atm 10299 1 temperature 296 0.1 K 10299 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10299 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10299 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10299 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10299 _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.' . . 10299 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10299 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10299 _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.' . . 10299 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10299 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10299 _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.' . . 10299 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10299 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10299 _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.' . . 10299 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10299 5 'structure solution' 10299 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 10299 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10299 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10299 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 10299 _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 . . . . . . . . . . . . . . . . 10299 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10299 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 10299 _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 . . . . . . . . . 10299 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10299 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10299 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 10299 _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 10299 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10299 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 4 4 GLY HA2 H 1 4.218 0.030 . 2 . . . . 4 GLY HA2 . 10299 1 2 . 1 1 4 4 GLY HA3 H 1 4.038 0.030 . 2 . . . . 4 GLY HA3 . 10299 1 3 . 1 1 4 4 GLY CA C 13 45.845 0.300 . 1 . . . . 4 GLY CA . 10299 1 4 . 1 1 5 5 SER H H 1 8.121 0.030 . 1 . . . . 5 SER H . 10299 1 5 . 1 1 5 5 SER N N 15 115.440 0.300 . 1 . . . . 5 SER N . 10299 1 6 . 1 1 6 6 SER HA H 1 4.544 0.030 . 1 . . . . 6 SER HA . 10299 1 7 . 1 1 6 6 SER HB2 H 1 3.870 0.030 . 2 . . . . 6 SER HB2 . 10299 1 8 . 1 1 6 6 SER CA C 13 58.373 0.300 . 1 . . . . 6 SER CA . 10299 1 9 . 1 1 6 6 SER CB C 13 63.977 0.300 . 1 . . . . 6 SER CB . 10299 1 10 . 1 1 7 7 GLY H H 1 8.141 0.030 . 1 . . . . 7 GLY H . 10299 1 11 . 1 1 7 7 GLY HA2 H 1 4.120 0.030 . 2 . . . . 7 GLY HA2 . 10299 1 12 . 1 1 7 7 GLY HA3 H 1 4.067 0.030 . 2 . . . . 7 GLY HA3 . 10299 1 13 . 1 1 7 7 GLY CA C 13 44.661 0.300 . 1 . . . . 7 GLY CA . 10299 1 14 . 1 1 7 7 GLY N N 15 110.436 0.300 . 1 . . . . 7 GLY N . 10299 1 15 . 1 1 8 8 PRO HA H 1 4.622 0.030 . 1 . . . . 8 PRO HA . 10299 1 16 . 1 1 8 8 PRO HB2 H 1 2.194 0.030 . 2 . . . . 8 PRO HB2 . 10299 1 17 . 1 1 8 8 PRO HB3 H 1 2.006 0.030 . 2 . . . . 8 PRO HB3 . 10299 1 18 . 1 1 8 8 PRO HD2 H 1 3.580 0.030 . 2 . . . . 8 PRO HD2 . 10299 1 19 . 1 1 8 8 PRO HD3 H 1 3.528 0.030 . 2 . . . . 8 PRO HD3 . 10299 1 20 . 1 1 8 8 PRO HG2 H 1 1.978 0.030 . 2 . . . . 8 PRO HG2 . 10299 1 21 . 1 1 8 8 PRO HG3 H 1 1.917 0.030 . 2 . . . . 8 PRO HG3 . 10299 1 22 . 1 1 8 8 PRO C C 13 176.749 0.300 . 1 . . . . 8 PRO C . 10299 1 23 . 1 1 8 8 PRO CA C 13 62.721 0.300 . 1 . . . . 8 PRO CA . 10299 1 24 . 1 1 8 8 PRO CB C 13 32.411 0.300 . 1 . . . . 8 PRO CB . 10299 1 25 . 1 1 8 8 PRO CD C 13 49.648 0.300 . 1 . . . . 8 PRO CD . 10299 1 26 . 1 1 8 8 PRO CG C 13 27.205 0.300 . 1 . . . . 8 PRO CG . 10299 1 27 . 1 1 9 9 VAL H H 1 7.887 0.030 . 1 . . . . 9 VAL H . 10299 1 28 . 1 1 9 9 VAL HA H 1 4.371 0.030 . 1 . . . . 9 VAL HA . 10299 1 29 . 1 1 9 9 VAL HB H 1 1.792 0.030 . 1 . . . . 9 VAL HB . 10299 1 30 . 1 1 9 9 VAL HG11 H 1 0.775 0.030 . 1 . . . . 9 VAL HG1 . 10299 1 31 . 1 1 9 9 VAL HG12 H 1 0.775 0.030 . 1 . . . . 9 VAL HG1 . 10299 1 32 . 1 1 9 9 VAL HG13 H 1 0.775 0.030 . 1 . . . . 9 VAL HG1 . 10299 1 33 . 1 1 9 9 VAL HG21 H 1 0.792 0.030 . 1 . . . . 9 VAL HG2 . 10299 1 34 . 1 1 9 9 VAL HG22 H 1 0.792 0.030 . 1 . . . . 9 VAL HG2 . 10299 1 35 . 1 1 9 9 VAL HG23 H 1 0.792 0.030 . 1 . . . . 9 VAL HG2 . 10299 1 36 . 1 1 9 9 VAL C C 13 172.354 0.300 . 1 . . . . 9 VAL C . 10299 1 37 . 1 1 9 9 VAL CA C 13 59.551 0.300 . 1 . . . . 9 VAL CA . 10299 1 38 . 1 1 9 9 VAL CB C 13 31.119 0.300 . 1 . . . . 9 VAL CB . 10299 1 39 . 1 1 9 9 VAL CG1 C 13 21.286 0.300 . 2 . . . . 9 VAL CG1 . 10299 1 40 . 1 1 9 9 VAL CG2 C 13 18.306 0.300 . 2 . . . . 9 VAL CG2 . 10299 1 41 . 1 1 9 9 VAL N N 15 115.744 0.300 . 1 . . . . 9 VAL N . 10299 1 42 . 1 1 10 10 PRO HA H 1 4.083 0.030 . 1 . . . . 10 PRO HA . 10299 1 43 . 1 1 10 10 PRO HB2 H 1 1.987 0.030 . 2 . . . . 10 PRO HB2 . 10299 1 44 . 1 1 10 10 PRO HB3 H 1 1.628 0.030 . 2 . . . . 10 PRO HB3 . 10299 1 45 . 1 1 10 10 PRO HD2 H 1 3.509 0.030 . 2 . . . . 10 PRO HD2 . 10299 1 46 . 1 1 10 10 PRO HD3 H 1 3.051 0.030 . 2 . . . . 10 PRO HD3 . 10299 1 47 . 1 1 10 10 PRO HG2 H 1 1.644 0.030 . 2 . . . . 10 PRO HG2 . 10299 1 48 . 1 1 10 10 PRO HG3 H 1 1.376 0.030 . 2 . . . . 10 PRO HG3 . 10299 1 49 . 1 1 10 10 PRO C C 13 174.732 0.300 . 1 . . . . 10 PRO C . 10299 1 50 . 1 1 10 10 PRO CA C 13 61.951 0.300 . 1 . . . . 10 PRO CA . 10299 1 51 . 1 1 10 10 PRO CB C 13 31.504 0.300 . 1 . . . . 10 PRO CB . 10299 1 52 . 1 1 10 10 PRO CD C 13 50.113 0.300 . 1 . . . . 10 PRO CD . 10299 1 53 . 1 1 10 10 PRO CG C 13 27.893 0.300 . 1 . . . . 10 PRO CG . 10299 1 54 . 1 1 11 11 ALA H H 1 7.966 0.030 . 1 . . . . 11 ALA H . 10299 1 55 . 1 1 11 11 ALA HA H 1 4.235 0.030 . 1 . . . . 11 ALA HA . 10299 1 56 . 1 1 11 11 ALA HB1 H 1 1.389 0.030 . 1 . . . . 11 ALA HB . 10299 1 57 . 1 1 11 11 ALA HB2 H 1 1.389 0.030 . 1 . . . . 11 ALA HB . 10299 1 58 . 1 1 11 11 ALA HB3 H 1 1.389 0.030 . 1 . . . . 11 ALA HB . 10299 1 59 . 1 1 11 11 ALA C C 13 176.322 0.300 . 1 . . . . 11 ALA C . 10299 1 60 . 1 1 11 11 ALA CA C 13 51.126 0.300 . 1 . . . . 11 ALA CA . 10299 1 61 . 1 1 11 11 ALA CB C 13 19.801 0.300 . 1 . . . . 11 ALA CB . 10299 1 62 . 1 1 11 11 ALA N N 15 120.254 0.300 . 1 . . . . 11 ALA N . 10299 1 63 . 1 1 12 12 THR H H 1 8.002 0.030 . 1 . . . . 12 THR H . 10299 1 64 . 1 1 12 12 THR HA H 1 4.173 0.030 . 1 . . . . 12 THR HA . 10299 1 65 . 1 1 12 12 THR HB H 1 3.962 0.030 . 1 . . . . 12 THR HB . 10299 1 66 . 1 1 12 12 THR HG21 H 1 1.255 0.030 . 1 . . . . 12 THR HG2 . 10299 1 67 . 1 1 12 12 THR HG22 H 1 1.255 0.030 . 1 . . . . 12 THR HG2 . 10299 1 68 . 1 1 12 12 THR HG23 H 1 1.255 0.030 . 1 . . . . 12 THR HG2 . 10299 1 69 . 1 1 12 12 THR C C 13 172.839 0.300 . 1 . . . . 12 THR C . 10299 1 70 . 1 1 12 12 THR CA C 13 62.031 0.300 . 1 . . . . 12 THR CA . 10299 1 71 . 1 1 12 12 THR CB C 13 70.050 0.300 . 1 . . . . 12 THR CB . 10299 1 72 . 1 1 12 12 THR CG2 C 13 21.349 0.300 . 1 . . . . 12 THR CG2 . 10299 1 73 . 1 1 12 12 THR N N 15 117.345 0.300 . 1 . . . . 12 THR N . 10299 1 74 . 1 1 13 13 PRO HA H 1 4.678 0.030 . 1 . . . . 13 PRO HA . 10299 1 75 . 1 1 13 13 PRO HB2 H 1 2.433 0.030 . 2 . . . . 13 PRO HB2 . 10299 1 76 . 1 1 13 13 PRO HB3 H 1 1.585 0.030 . 2 . . . . 13 PRO HB3 . 10299 1 77 . 1 1 13 13 PRO HD2 H 1 4.573 0.030 . 2 . . . . 13 PRO HD2 . 10299 1 78 . 1 1 13 13 PRO HD3 H 1 3.612 0.030 . 2 . . . . 13 PRO HD3 . 10299 1 79 . 1 1 13 13 PRO HG2 H 1 2.195 0.030 . 2 . . . . 13 PRO HG2 . 10299 1 80 . 1 1 13 13 PRO HG3 H 1 1.724 0.030 . 2 . . . . 13 PRO HG3 . 10299 1 81 . 1 1 13 13 PRO C C 13 175.025 0.300 . 1 . . . . 13 PRO C . 10299 1 82 . 1 1 13 13 PRO CA C 13 62.251 0.300 . 1 . . . . 13 PRO CA . 10299 1 83 . 1 1 13 13 PRO CB C 13 33.388 0.300 . 1 . . . . 13 PRO CB . 10299 1 84 . 1 1 13 13 PRO CD C 13 51.150 0.300 . 1 . . . . 13 PRO CD . 10299 1 85 . 1 1 13 13 PRO CG C 13 28.455 0.300 . 1 . . . . 13 PRO CG . 10299 1 86 . 1 1 14 14 ILE H H 1 8.772 0.030 . 1 . . . . 14 ILE H . 10299 1 87 . 1 1 14 14 ILE HA H 1 4.159 0.030 . 1 . . . . 14 ILE HA . 10299 1 88 . 1 1 14 14 ILE HB H 1 1.669 0.030 . 1 . . . . 14 ILE HB . 10299 1 89 . 1 1 14 14 ILE HD11 H 1 0.873 0.030 . 1 . . . . 14 ILE HD1 . 10299 1 90 . 1 1 14 14 ILE HD12 H 1 0.873 0.030 . 1 . . . . 14 ILE HD1 . 10299 1 91 . 1 1 14 14 ILE HD13 H 1 0.873 0.030 . 1 . . . . 14 ILE HD1 . 10299 1 92 . 1 1 14 14 ILE HG12 H 1 1.551 0.030 . 2 . . . . 14 ILE HG12 . 10299 1 93 . 1 1 14 14 ILE HG13 H 1 1.139 0.030 . 2 . . . . 14 ILE HG13 . 10299 1 94 . 1 1 14 14 ILE HG21 H 1 0.904 0.030 . 1 . . . . 14 ILE HG2 . 10299 1 95 . 1 1 14 14 ILE HG22 H 1 0.904 0.030 . 1 . . . . 14 ILE HG2 . 10299 1 96 . 1 1 14 14 ILE HG23 H 1 0.904 0.030 . 1 . . . . 14 ILE HG2 . 10299 1 97 . 1 1 14 14 ILE CA C 13 60.674 0.300 . 1 . . . . 14 ILE CA . 10299 1 98 . 1 1 14 14 ILE CB C 13 39.607 0.300 . 1 . . . . 14 ILE CB . 10299 1 99 . 1 1 14 14 ILE CD1 C 13 13.721 0.300 . 1 . . . . 14 ILE CD1 . 10299 1 100 . 1 1 14 14 ILE CG1 C 13 27.628 0.300 . 1 . . . . 14 ILE CG1 . 10299 1 101 . 1 1 14 14 ILE CG2 C 13 17.759 0.300 . 1 . . . . 14 ILE CG2 . 10299 1 102 . 1 1 14 14 ILE N N 15 119.370 0.300 . 1 . . . . 14 ILE N . 10299 1 103 . 1 1 15 15 LEU H H 1 8.773 0.030 . 1 . . . . 15 LEU H . 10299 1 104 . 1 1 15 15 LEU HA H 1 4.269 0.030 . 1 . . . . 15 LEU HA . 10299 1 105 . 1 1 15 15 LEU HB2 H 1 1.871 0.030 . 1 . . . . 15 LEU HB2 . 10299 1 106 . 1 1 15 15 LEU HB3 H 1 1.871 0.030 . 1 . . . . 15 LEU HB3 . 10299 1 107 . 1 1 15 15 LEU HD11 H 1 0.836 0.030 . 1 . . . . 15 LEU HD1 . 10299 1 108 . 1 1 15 15 LEU HD12 H 1 0.836 0.030 . 1 . . . . 15 LEU HD1 . 10299 1 109 . 1 1 15 15 LEU HD13 H 1 0.836 0.030 . 1 . . . . 15 LEU HD1 . 10299 1 110 . 1 1 15 15 LEU HD21 H 1 0.933 0.030 . 1 . . . . 15 LEU HD2 . 10299 1 111 . 1 1 15 15 LEU HD22 H 1 0.933 0.030 . 1 . . . . 15 LEU HD2 . 10299 1 112 . 1 1 15 15 LEU HD23 H 1 0.933 0.030 . 1 . . . . 15 LEU HD2 . 10299 1 113 . 1 1 15 15 LEU HG H 1 1.607 0.030 . 1 . . . . 15 LEU HG . 10299 1 114 . 1 1 15 15 LEU CA C 13 55.207 0.300 . 1 . . . . 15 LEU CA . 10299 1 115 . 1 1 15 15 LEU CB C 13 39.664 0.300 . 1 . . . . 15 LEU CB . 10299 1 116 . 1 1 15 15 LEU CD1 C 13 26.850 0.300 . 2 . . . . 15 LEU CD1 . 10299 1 117 . 1 1 15 15 LEU CD2 C 13 25.784 0.300 . 2 . . . . 15 LEU CD2 . 10299 1 118 . 1 1 15 15 LEU CG C 13 27.287 0.300 . 1 . . . . 15 LEU CG . 10299 1 119 . 1 1 15 15 LEU N N 15 130.484 0.300 . 1 . . . . 15 LEU N . 10299 1 120 . 1 1 16 16 GLN H H 1 7.393 0.030 . 1 . . . . 16 GLN H . 10299 1 121 . 1 1 16 16 GLN HA H 1 4.720 0.030 . 1 . . . . 16 GLN HA . 10299 1 122 . 1 1 16 16 GLN HB2 H 1 1.991 0.030 . 2 . . . . 16 GLN HB2 . 10299 1 123 . 1 1 16 16 GLN HG2 H 1 2.160 0.030 . 2 . . . . 16 GLN HG2 . 10299 1 124 . 1 1 16 16 GLN HG3 H 1 2.007 0.030 . 2 . . . . 16 GLN HG3 . 10299 1 125 . 1 1 16 16 GLN CA C 13 54.409 0.300 . 1 . . . . 16 GLN CA . 10299 1 126 . 1 1 16 16 GLN CB C 13 32.162 0.300 . 1 . . . . 16 GLN CB . 10299 1 127 . 1 1 16 16 GLN CG C 13 33.541 0.300 . 1 . . . . 16 GLN CG . 10299 1 128 . 1 1 16 16 GLN N N 15 112.379 0.300 . 1 . . . . 16 GLN N . 10299 1 129 . 1 1 17 17 LEU H H 1 8.564 0.030 . 1 . . . . 17 LEU H . 10299 1 130 . 1 1 17 17 LEU HA H 1 4.775 0.030 . 1 . . . . 17 LEU HA . 10299 1 131 . 1 1 17 17 LEU HB2 H 1 1.882 0.030 . 2 . . . . 17 LEU HB2 . 10299 1 132 . 1 1 17 17 LEU HB3 H 1 1.423 0.030 . 2 . . . . 17 LEU HB3 . 10299 1 133 . 1 1 17 17 LEU HD11 H 1 0.937 0.030 . 1 . . . . 17 LEU HD1 . 10299 1 134 . 1 1 17 17 LEU HD12 H 1 0.937 0.030 . 1 . . . . 17 LEU HD1 . 10299 1 135 . 1 1 17 17 LEU HD13 H 1 0.937 0.030 . 1 . . . . 17 LEU HD1 . 10299 1 136 . 1 1 17 17 LEU HD21 H 1 0.928 0.030 . 1 . . . . 17 LEU HD2 . 10299 1 137 . 1 1 17 17 LEU HD22 H 1 0.928 0.030 . 1 . . . . 17 LEU HD2 . 10299 1 138 . 1 1 17 17 LEU HD23 H 1 0.928 0.030 . 1 . . . . 17 LEU HD2 . 10299 1 139 . 1 1 17 17 LEU HG H 1 1.444 0.030 . 1 . . . . 17 LEU HG . 10299 1 140 . 1 1 17 17 LEU CA C 13 53.611 0.300 . 1 . . . . 17 LEU CA . 10299 1 141 . 1 1 17 17 LEU CB C 13 43.628 0.300 . 1 . . . . 17 LEU CB . 10299 1 142 . 1 1 17 17 LEU CD1 C 13 25.780 0.300 . 2 . . . . 17 LEU CD1 . 10299 1 143 . 1 1 17 17 LEU CD2 C 13 24.382 0.300 . 2 . . . . 17 LEU CD2 . 10299 1 144 . 1 1 17 17 LEU CG C 13 27.198 0.300 . 1 . . . . 17 LEU CG . 10299 1 145 . 1 1 17 17 LEU N N 15 123.265 0.300 . 1 . . . . 17 LEU N . 10299 1 146 . 1 1 18 18 GLU H H 1 8.851 0.030 . 1 . . . . 18 GLU H . 10299 1 147 . 1 1 18 18 GLU HA H 1 4.341 0.030 . 1 . . . . 18 GLU HA . 10299 1 148 . 1 1 18 18 GLU HB2 H 1 2.028 0.030 . 2 . . . . 18 GLU HB2 . 10299 1 149 . 1 1 18 18 GLU HB3 H 1 1.602 0.030 . 2 . . . . 18 GLU HB3 . 10299 1 150 . 1 1 18 18 GLU HG2 H 1 2.085 0.030 . 2 . . . . 18 GLU HG2 . 10299 1 151 . 1 1 18 18 GLU HG3 H 1 2.057 0.030 . 2 . . . . 18 GLU HG3 . 10299 1 152 . 1 1 18 18 GLU CA C 13 56.889 0.300 . 1 . . . . 18 GLU CA . 10299 1 153 . 1 1 18 18 GLU CB C 13 29.444 0.300 . 1 . . . . 18 GLU CB . 10299 1 154 . 1 1 18 18 GLU CG C 13 34.985 0.300 . 1 . . . . 18 GLU CG . 10299 1 155 . 1 1 19 19 GLU H H 1 7.832 0.030 . 1 . . . . 19 GLU H . 10299 1 156 . 1 1 19 19 GLU HA H 1 4.357 0.030 . 1 . . . . 19 GLU HA . 10299 1 157 . 1 1 19 19 GLU HB2 H 1 2.094 0.030 . 2 . . . . 19 GLU HB2 . 10299 1 158 . 1 1 19 19 GLU HB3 H 1 1.948 0.030 . 2 . . . . 19 GLU HB3 . 10299 1 159 . 1 1 19 19 GLU HG2 H 1 2.160 0.030 . 1 . . . . 19 GLU HG2 . 10299 1 160 . 1 1 19 19 GLU HG3 H 1 2.160 0.030 . 1 . . . . 19 GLU HG3 . 10299 1 161 . 1 1 19 19 GLU CA C 13 56.270 0.300 . 1 . . . . 19 GLU CA . 10299 1 162 . 1 1 19 19 GLU CB C 13 31.665 0.300 . 1 . . . . 19 GLU CB . 10299 1 163 . 1 1 19 19 GLU CG C 13 35.855 0.300 . 1 . . . . 19 GLU CG . 10299 1 164 . 1 1 19 19 GLU N N 15 116.461 0.300 . 1 . . . . 19 GLU N . 10299 1 165 . 1 1 22 22 THR H H 1 7.920 0.030 . 1 . . . . 22 THR H . 10299 1 166 . 1 1 22 22 THR HA H 1 4.268 0.030 . 1 . . . . 22 THR HA . 10299 1 167 . 1 1 22 22 THR HB H 1 4.137 0.030 . 1 . . . . 22 THR HB . 10299 1 168 . 1 1 22 22 THR HG21 H 1 0.988 0.030 . 1 . . . . 22 THR HG2 . 10299 1 169 . 1 1 22 22 THR HG22 H 1 0.988 0.030 . 1 . . . . 22 THR HG2 . 10299 1 170 . 1 1 22 22 THR HG23 H 1 0.988 0.030 . 1 . . . . 22 THR HG2 . 10299 1 171 . 1 1 22 22 THR CA C 13 62.475 0.300 . 1 . . . . 22 THR CA . 10299 1 172 . 1 1 22 22 THR CB C 13 69.394 0.300 . 1 . . . . 22 THR CB . 10299 1 173 . 1 1 22 22 THR CG2 C 13 22.147 0.300 . 1 . . . . 22 THR CG2 . 10299 1 174 . 1 1 22 22 THR N N 15 109.667 0.300 . 1 . . . . 22 THR N . 10299 1 175 . 1 1 23 23 HIS HA H 1 4.695 0.030 . 1 . . . . 23 HIS HA . 10299 1 176 . 1 1 23 23 HIS HB2 H 1 3.148 0.030 . 2 . . . . 23 HIS HB2 . 10299 1 177 . 1 1 23 23 HIS HB3 H 1 3.084 0.030 . 2 . . . . 23 HIS HB3 . 10299 1 178 . 1 1 23 23 HIS HD2 H 1 7.049 0.030 . 1 . . . . 23 HIS HD2 . 10299 1 179 . 1 1 23 23 HIS CA C 13 56.448 0.300 . 1 . . . . 23 HIS CA . 10299 1 180 . 1 1 23 23 HIS CB C 13 30.626 0.300 . 1 . . . . 23 HIS CB . 10299 1 181 . 1 1 23 23 HIS CD2 C 13 120.125 0.300 . 1 . . . . 23 HIS CD2 . 10299 1 182 . 1 1 24 24 ASN H H 1 7.309 0.030 . 1 . . . . 24 ASN H . 10299 1 183 . 1 1 24 24 ASN HA H 1 4.735 0.030 . 1 . . . . 24 ASN HA . 10299 1 184 . 1 1 24 24 ASN HB2 H 1 2.919 0.030 . 1 . . . . 24 ASN HB2 . 10299 1 185 . 1 1 24 24 ASN HB3 H 1 2.919 0.030 . 1 . . . . 24 ASN HB3 . 10299 1 186 . 1 1 24 24 ASN HD21 H 1 7.629 0.030 . 2 . . . . 24 ASN HD21 . 10299 1 187 . 1 1 24 24 ASN HD22 H 1 6.947 0.030 . 2 . . . . 24 ASN HD22 . 10299 1 188 . 1 1 24 24 ASN CA C 13 53.168 0.300 . 1 . . . . 24 ASN CA . 10299 1 189 . 1 1 24 24 ASN CB C 13 38.282 0.300 . 1 . . . . 24 ASN CB . 10299 1 190 . 1 1 24 24 ASN ND2 N 15 112.382 0.300 . 1 . . . . 24 ASN ND2 . 10299 1 191 . 1 1 25 25 ASN H H 1 8.294 0.030 . 1 . . . . 25 ASN H . 10299 1 192 . 1 1 25 25 ASN HA H 1 4.514 0.030 . 1 . . . . 25 ASN HA . 10299 1 193 . 1 1 25 25 ASN HB2 H 1 2.678 0.030 . 1 . . . . 25 ASN HB2 . 10299 1 194 . 1 1 25 25 ASN HB3 H 1 2.678 0.030 . 1 . . . . 25 ASN HB3 . 10299 1 195 . 1 1 25 25 ASN HD21 H 1 7.472 0.030 . 2 . . . . 25 ASN HD21 . 10299 1 196 . 1 1 25 25 ASN HD22 H 1 6.329 0.030 . 2 . . . . 25 ASN HD22 . 10299 1 197 . 1 1 25 25 ASN C C 13 172.845 0.300 . 1 . . . . 25 ASN C . 10299 1 198 . 1 1 25 25 ASN CA C 13 53.260 0.300 . 1 . . . . 25 ASN CA . 10299 1 199 . 1 1 25 25 ASN CB C 13 36.285 0.300 . 1 . . . . 25 ASN CB . 10299 1 200 . 1 1 25 25 ASN N N 15 117.583 0.300 . 1 . . . . 25 ASN N . 10299 1 201 . 1 1 25 25 ASN ND2 N 15 111.687 0.300 . 1 . . . . 25 ASN ND2 . 10299 1 202 . 1 1 26 26 SER H H 1 7.732 0.030 . 1 . . . . 26 SER H . 10299 1 203 . 1 1 26 26 SER HA H 1 5.367 0.030 . 1 . . . . 26 SER HA . 10299 1 204 . 1 1 26 26 SER HB2 H 1 3.637 0.030 . 1 . . . . 26 SER HB2 . 10299 1 205 . 1 1 26 26 SER HB3 H 1 3.637 0.030 . 1 . . . . 26 SER HB3 . 10299 1 206 . 1 1 26 26 SER C C 13 172.658 0.300 . 1 . . . . 26 SER C . 10299 1 207 . 1 1 26 26 SER CA C 13 56.857 0.300 . 1 . . . . 26 SER CA . 10299 1 208 . 1 1 26 26 SER CB C 13 66.927 0.300 . 1 . . . . 26 SER CB . 10299 1 209 . 1 1 26 26 SER N N 15 112.080 0.300 . 1 . . . . 26 SER N . 10299 1 210 . 1 1 27 27 ALA H H 1 8.689 0.030 . 1 . . . . 27 ALA H . 10299 1 211 . 1 1 27 27 ALA HA H 1 4.923 0.030 . 1 . . . . 27 ALA HA . 10299 1 212 . 1 1 27 27 ALA HB1 H 1 1.120 0.030 . 1 . . . . 27 ALA HB . 10299 1 213 . 1 1 27 27 ALA HB2 H 1 1.120 0.030 . 1 . . . . 27 ALA HB . 10299 1 214 . 1 1 27 27 ALA HB3 H 1 1.120 0.030 . 1 . . . . 27 ALA HB . 10299 1 215 . 1 1 27 27 ALA C C 13 175.264 0.300 . 1 . . . . 27 ALA C . 10299 1 216 . 1 1 27 27 ALA CA C 13 51.285 0.300 . 1 . . . . 27 ALA CA . 10299 1 217 . 1 1 27 27 ALA CB C 13 22.891 0.300 . 1 . . . . 27 ALA CB . 10299 1 218 . 1 1 27 27 ALA N N 15 121.893 0.300 . 1 . . . . 27 ALA N . 10299 1 219 . 1 1 28 28 THR H H 1 9.021 0.030 . 1 . . . . 28 THR H . 10299 1 220 . 1 1 28 28 THR HA H 1 5.106 0.030 . 1 . . . . 28 THR HA . 10299 1 221 . 1 1 28 28 THR HB H 1 3.841 0.030 . 1 . . . . 28 THR HB . 10299 1 222 . 1 1 28 28 THR HG21 H 1 1.004 0.030 . 1 . . . . 28 THR HG2 . 10299 1 223 . 1 1 28 28 THR HG22 H 1 1.004 0.030 . 1 . . . . 28 THR HG2 . 10299 1 224 . 1 1 28 28 THR HG23 H 1 1.004 0.030 . 1 . . . . 28 THR HG2 . 10299 1 225 . 1 1 28 28 THR C C 13 172.402 0.300 . 1 . . . . 28 THR C . 10299 1 226 . 1 1 28 28 THR CA C 13 62.323 0.300 . 1 . . . . 28 THR CA . 10299 1 227 . 1 1 28 28 THR CB C 13 70.451 0.300 . 1 . . . . 28 THR CB . 10299 1 228 . 1 1 28 28 THR CG2 C 13 21.477 0.300 . 1 . . . . 28 THR CG2 . 10299 1 229 . 1 1 28 28 THR N N 15 118.403 0.300 . 1 . . . . 28 THR N . 10299 1 230 . 1 1 29 29 LEU H H 1 8.829 0.030 . 1 . . . . 29 LEU H . 10299 1 231 . 1 1 29 29 LEU HA H 1 5.152 0.030 . 1 . . . . 29 LEU HA . 10299 1 232 . 1 1 29 29 LEU HB2 H 1 1.842 0.030 . 2 . . . . 29 LEU HB2 . 10299 1 233 . 1 1 29 29 LEU HB3 H 1 1.765 0.030 . 2 . . . . 29 LEU HB3 . 10299 1 234 . 1 1 29 29 LEU HD11 H 1 1.138 0.030 . 1 . . . . 29 LEU HD1 . 10299 1 235 . 1 1 29 29 LEU HD12 H 1 1.138 0.030 . 1 . . . . 29 LEU HD1 . 10299 1 236 . 1 1 29 29 LEU HD13 H 1 1.138 0.030 . 1 . . . . 29 LEU HD1 . 10299 1 237 . 1 1 29 29 LEU HD21 H 1 0.832 0.030 . 1 . . . . 29 LEU HD2 . 10299 1 238 . 1 1 29 29 LEU HD22 H 1 0.832 0.030 . 1 . . . . 29 LEU HD2 . 10299 1 239 . 1 1 29 29 LEU HD23 H 1 0.832 0.030 . 1 . . . . 29 LEU HD2 . 10299 1 240 . 1 1 29 29 LEU HG H 1 1.682 0.030 . 1 . . . . 29 LEU HG . 10299 1 241 . 1 1 29 29 LEU CA C 13 53.635 0.300 . 1 . . . . 29 LEU CA . 10299 1 242 . 1 1 29 29 LEU CB C 13 45.042 0.300 . 1 . . . . 29 LEU CB . 10299 1 243 . 1 1 29 29 LEU CD1 C 13 24.814 0.300 . 2 . . . . 29 LEU CD1 . 10299 1 244 . 1 1 29 29 LEU CD2 C 13 25.918 0.300 . 2 . . . . 29 LEU CD2 . 10299 1 245 . 1 1 29 29 LEU CG C 13 29.003 0.300 . 1 . . . . 29 LEU CG . 10299 1 246 . 1 1 29 29 LEU N N 15 129.309 0.300 . 1 . . . . 29 LEU N . 10299 1 247 . 1 1 30 30 SER H H 1 7.928 0.030 . 1 . . . . 30 SER H . 10299 1 248 . 1 1 30 30 SER HA H 1 4.745 0.030 . 1 . . . . 30 SER HA . 10299 1 249 . 1 1 30 30 SER HB2 H 1 3.719 0.030 . 2 . . . . 30 SER HB2 . 10299 1 250 . 1 1 30 30 SER HB3 H 1 3.452 0.030 . 2 . . . . 30 SER HB3 . 10299 1 251 . 1 1 30 30 SER CA C 13 56.536 0.300 . 1 . . . . 30 SER CA . 10299 1 252 . 1 1 30 30 SER CB C 13 66.665 0.300 . 1 . . . . 30 SER CB . 10299 1 253 . 1 1 30 30 SER N N 15 117.370 0.300 . 1 . . . . 30 SER N . 10299 1 254 . 1 1 31 31 TRP H H 1 8.228 0.030 . 1 . . . . 31 TRP H . 10299 1 255 . 1 1 31 31 TRP HA H 1 5.727 0.030 . 1 . . . . 31 TRP HA . 10299 1 256 . 1 1 31 31 TRP HB2 H 1 3.415 0.030 . 2 . . . . 31 TRP HB2 . 10299 1 257 . 1 1 31 31 TRP HB3 H 1 2.671 0.030 . 2 . . . . 31 TRP HB3 . 10299 1 258 . 1 1 31 31 TRP HE1 H 1 10.114 0.030 . 1 . . . . 31 TRP HE1 . 10299 1 259 . 1 1 31 31 TRP HE3 H 1 6.813 0.030 . 1 . . . . 31 TRP HE3 . 10299 1 260 . 1 1 31 31 TRP HH2 H 1 6.351 0.030 . 1 . . . . 31 TRP HH2 . 10299 1 261 . 1 1 31 31 TRP HZ2 H 1 7.147 0.030 . 1 . . . . 31 TRP HZ2 . 10299 1 262 . 1 1 31 31 TRP HZ3 H 1 6.527 0.030 . 1 . . . . 31 TRP HZ3 . 10299 1 263 . 1 1 31 31 TRP CA C 13 55.497 0.300 . 1 . . . . 31 TRP CA . 10299 1 264 . 1 1 31 31 TRP CB C 13 32.233 0.300 . 1 . . . . 31 TRP CB . 10299 1 265 . 1 1 31 31 TRP CE3 C 13 119.138 0.300 . 1 . . . . 31 TRP CE3 . 10299 1 266 . 1 1 31 31 TRP CH2 C 13 122.999 0.300 . 1 . . . . 31 TRP CH2 . 10299 1 267 . 1 1 31 31 TRP CZ2 C 13 114.657 0.300 . 1 . . . . 31 TRP CZ2 . 10299 1 268 . 1 1 31 31 TRP CZ3 C 13 121.807 0.300 . 1 . . . . 31 TRP CZ3 . 10299 1 269 . 1 1 31 31 TRP N N 15 112.442 0.300 . 1 . . . . 31 TRP N . 10299 1 270 . 1 1 31 31 TRP NE1 N 15 129.455 0.300 . 1 . . . . 31 TRP NE1 . 10299 1 271 . 1 1 32 32 LYS H H 1 8.221 0.030 . 1 . . . . 32 LYS H . 10299 1 272 . 1 1 32 32 LYS HA H 1 4.712 0.030 . 1 . . . . 32 LYS HA . 10299 1 273 . 1 1 32 32 LYS HB2 H 1 1.933 0.030 . 2 . . . . 32 LYS HB2 . 10299 1 274 . 1 1 32 32 LYS HB3 H 1 1.771 0.030 . 2 . . . . 32 LYS HB3 . 10299 1 275 . 1 1 32 32 LYS HD2 H 1 1.599 0.030 . 2 . . . . 32 LYS HD2 . 10299 1 276 . 1 1 32 32 LYS HD3 H 1 1.531 0.030 . 2 . . . . 32 LYS HD3 . 10299 1 277 . 1 1 32 32 LYS HE2 H 1 2.817 0.030 . 1 . . . . 32 LYS HE2 . 10299 1 278 . 1 1 32 32 LYS HE3 H 1 2.817 0.030 . 1 . . . . 32 LYS HE3 . 10299 1 279 . 1 1 32 32 LYS HG2 H 1 1.308 0.030 . 2 . . . . 32 LYS HG2 . 10299 1 280 . 1 1 32 32 LYS HG3 H 1 1.142 0.030 . 2 . . . . 32 LYS HG3 . 10299 1 281 . 1 1 32 32 LYS C C 13 175.292 0.300 . 1 . . . . 32 LYS C . 10299 1 282 . 1 1 32 32 LYS CA C 13 54.529 0.300 . 1 . . . . 32 LYS CA . 10299 1 283 . 1 1 32 32 LYS CB C 13 35.652 0.300 . 1 . . . . 32 LYS CB . 10299 1 284 . 1 1 32 32 LYS CD C 13 29.467 0.300 . 1 . . . . 32 LYS CD . 10299 1 285 . 1 1 32 32 LYS CE C 13 42.301 0.300 . 1 . . . . 32 LYS CE . 10299 1 286 . 1 1 32 32 LYS CG C 13 23.345 0.300 . 1 . . . . 32 LYS CG . 10299 1 287 . 1 1 32 32 LYS N N 15 119.066 0.300 . 1 . . . . 32 LYS N . 10299 1 288 . 1 1 33 33 GLN H H 1 8.692 0.030 . 1 . . . . 33 GLN H . 10299 1 289 . 1 1 33 33 GLN HA H 1 4.603 0.030 . 1 . . . . 33 GLN HA . 10299 1 290 . 1 1 33 33 GLN HB2 H 1 2.033 0.030 . 1 . . . . 33 GLN HB2 . 10299 1 291 . 1 1 33 33 GLN HB3 H 1 2.033 0.030 . 1 . . . . 33 GLN HB3 . 10299 1 292 . 1 1 33 33 GLN HE21 H 1 7.880 0.030 . 2 . . . . 33 GLN HE21 . 10299 1 293 . 1 1 33 33 GLN HE22 H 1 7.031 0.030 . 2 . . . . 33 GLN HE22 . 10299 1 294 . 1 1 33 33 GLN HG2 H 1 2.660 0.030 . 2 . . . . 33 GLN HG2 . 10299 1 295 . 1 1 33 33 GLN HG3 H 1 2.355 0.030 . 2 . . . . 33 GLN HG3 . 10299 1 296 . 1 1 33 33 GLN C C 13 173.956 0.300 . 1 . . . . 33 GLN C . 10299 1 297 . 1 1 33 33 GLN CA C 13 53.209 0.300 . 1 . . . . 33 GLN CA . 10299 1 298 . 1 1 33 33 GLN CB C 13 28.790 0.300 . 1 . . . . 33 GLN CB . 10299 1 299 . 1 1 33 33 GLN CG C 13 34.882 0.300 . 1 . . . . 33 GLN CG . 10299 1 300 . 1 1 33 33 GLN N N 15 117.981 0.300 . 1 . . . . 33 GLN N . 10299 1 301 . 1 1 33 33 GLN NE2 N 15 109.251 0.300 . 1 . . . . 33 GLN NE2 . 10299 1 302 . 1 1 34 34 PRO HA H 1 4.530 0.030 . 1 . . . . 34 PRO HA . 10299 1 303 . 1 1 34 34 PRO HB2 H 1 2.432 0.030 . 2 . . . . 34 PRO HB2 . 10299 1 304 . 1 1 34 34 PRO HB3 H 1 1.913 0.030 . 2 . . . . 34 PRO HB3 . 10299 1 305 . 1 1 34 34 PRO HD2 H 1 3.895 0.030 . 2 . . . . 34 PRO HD2 . 10299 1 306 . 1 1 34 34 PRO HD3 H 1 3.380 0.030 . 2 . . . . 34 PRO HD3 . 10299 1 307 . 1 1 34 34 PRO HG2 H 1 2.140 0.030 . 2 . . . . 34 PRO HG2 . 10299 1 308 . 1 1 34 34 PRO HG3 H 1 2.070 0.030 . 2 . . . . 34 PRO HG3 . 10299 1 309 . 1 1 34 34 PRO CA C 13 61.773 0.300 . 1 . . . . 34 PRO CA . 10299 1 310 . 1 1 34 34 PRO CB C 13 30.890 0.300 . 1 . . . . 34 PRO CB . 10299 1 311 . 1 1 34 34 PRO CD C 13 50.540 0.300 . 1 . . . . 34 PRO CD . 10299 1 312 . 1 1 34 34 PRO CG C 13 28.564 0.300 . 1 . . . . 34 PRO CG . 10299 1 313 . 1 1 35 35 PRO HA H 1 4.320 0.030 . 1 . . . . 35 PRO HA . 10299 1 314 . 1 1 35 35 PRO HB2 H 1 2.340 0.030 . 2 . . . . 35 PRO HB2 . 10299 1 315 . 1 1 35 35 PRO HB3 H 1 1.894 0.030 . 2 . . . . 35 PRO HB3 . 10299 1 316 . 1 1 35 35 PRO HD2 H 1 3.739 0.030 . 2 . . . . 35 PRO HD2 . 10299 1 317 . 1 1 35 35 PRO HG2 H 1 2.040 0.030 . 1 . . . . 35 PRO HG2 . 10299 1 318 . 1 1 35 35 PRO HG3 H 1 2.040 0.030 . 1 . . . . 35 PRO HG3 . 10299 1 319 . 1 1 35 35 PRO CA C 13 64.418 0.300 . 1 . . . . 35 PRO CA . 10299 1 320 . 1 1 35 35 PRO CB C 13 31.929 0.300 . 1 . . . . 35 PRO CB . 10299 1 321 . 1 1 35 35 PRO CD C 13 50.843 0.300 . 1 . . . . 35 PRO CD . 10299 1 322 . 1 1 35 35 PRO CG C 13 27.548 0.300 . 1 . . . . 35 PRO CG . 10299 1 323 . 1 1 36 36 LEU H H 1 8.503 0.030 . 1 . . . . 36 LEU H . 10299 1 324 . 1 1 36 36 LEU HA H 1 4.180 0.030 . 1 . . . . 36 LEU HA . 10299 1 325 . 1 1 36 36 LEU HB2 H 1 1.869 0.030 . 2 . . . . 36 LEU HB2 . 10299 1 326 . 1 1 36 36 LEU HB3 H 1 1.616 0.030 . 2 . . . . 36 LEU HB3 . 10299 1 327 . 1 1 36 36 LEU HD11 H 1 0.893 0.030 . 1 . . . . 36 LEU HD1 . 10299 1 328 . 1 1 36 36 LEU HD12 H 1 0.893 0.030 . 1 . . . . 36 LEU HD1 . 10299 1 329 . 1 1 36 36 LEU HD13 H 1 0.893 0.030 . 1 . . . . 36 LEU HD1 . 10299 1 330 . 1 1 36 36 LEU HD21 H 1 0.842 0.030 . 1 . . . . 36 LEU HD2 . 10299 1 331 . 1 1 36 36 LEU HD22 H 1 0.842 0.030 . 1 . . . . 36 LEU HD2 . 10299 1 332 . 1 1 36 36 LEU HD23 H 1 0.842 0.030 . 1 . . . . 36 LEU HD2 . 10299 1 333 . 1 1 36 36 LEU HG H 1 1.519 0.030 . 1 . . . . 36 LEU HG . 10299 1 334 . 1 1 36 36 LEU CA C 13 55.353 0.300 . 1 . . . . 36 LEU CA . 10299 1 335 . 1 1 36 36 LEU CB C 13 40.036 0.300 . 1 . . . . 36 LEU CB . 10299 1 336 . 1 1 36 36 LEU CD1 C 13 25.162 0.300 . 2 . . . . 36 LEU CD1 . 10299 1 337 . 1 1 36 36 LEU CD2 C 13 22.686 0.300 . 2 . . . . 36 LEU CD2 . 10299 1 338 . 1 1 36 36 LEU CG C 13 27.232 0.300 . 1 . . . . 36 LEU CG . 10299 1 339 . 1 1 36 36 LEU N N 15 115.933 0.300 . 1 . . . . 36 LEU N . 10299 1 340 . 1 1 37 37 SER H H 1 7.635 0.030 . 1 . . . . 37 SER H . 10299 1 341 . 1 1 37 37 SER HA H 1 4.471 0.030 . 1 . . . . 37 SER HA . 10299 1 342 . 1 1 37 37 SER HB2 H 1 3.908 0.030 . 2 . . . . 37 SER HB2 . 10299 1 343 . 1 1 37 37 SER HB3 H 1 3.830 0.030 . 2 . . . . 37 SER HB3 . 10299 1 344 . 1 1 37 37 SER CA C 13 58.455 0.300 . 1 . . . . 37 SER CA . 10299 1 345 . 1 1 37 37 SER CB C 13 63.711 0.300 . 1 . . . . 37 SER CB . 10299 1 346 . 1 1 37 37 SER N N 15 113.720 0.300 . 1 . . . . 37 SER N . 10299 1 347 . 1 1 38 38 THR H H 1 7.029 0.030 . 1 . . . . 38 THR H . 10299 1 348 . 1 1 38 38 THR HA H 1 4.439 0.030 . 1 . . . . 38 THR HA . 10299 1 349 . 1 1 38 38 THR HB H 1 4.480 0.030 . 1 . . . . 38 THR HB . 10299 1 350 . 1 1 38 38 THR HG21 H 1 1.172 0.030 . 1 . . . . 38 THR HG2 . 10299 1 351 . 1 1 38 38 THR HG22 H 1 1.172 0.030 . 1 . . . . 38 THR HG2 . 10299 1 352 . 1 1 38 38 THR HG23 H 1 1.172 0.030 . 1 . . . . 38 THR HG2 . 10299 1 353 . 1 1 38 38 THR CA C 13 61.618 0.300 . 1 . . . . 38 THR CA . 10299 1 354 . 1 1 38 38 THR CB C 13 69.220 0.300 . 1 . . . . 38 THR CB . 10299 1 355 . 1 1 38 38 THR CG2 C 13 21.561 0.300 . 1 . . . . 38 THR CG2 . 10299 1 356 . 1 1 38 38 THR N N 15 109.257 0.300 . 1 . . . . 38 THR N . 10299 1 357 . 1 1 39 39 VAL H H 1 7.317 0.030 . 1 . . . . 39 VAL H . 10299 1 358 . 1 1 39 39 VAL HA H 1 4.352 0.030 . 1 . . . . 39 VAL HA . 10299 1 359 . 1 1 39 39 VAL HB H 1 1.860 0.030 . 1 . . . . 39 VAL HB . 10299 1 360 . 1 1 39 39 VAL HG11 H 1 0.879 0.030 . 1 . . . . 39 VAL HG1 . 10299 1 361 . 1 1 39 39 VAL HG12 H 1 0.879 0.030 . 1 . . . . 39 VAL HG1 . 10299 1 362 . 1 1 39 39 VAL HG13 H 1 0.879 0.030 . 1 . . . . 39 VAL HG1 . 10299 1 363 . 1 1 39 39 VAL HG21 H 1 0.644 0.030 . 1 . . . . 39 VAL HG2 . 10299 1 364 . 1 1 39 39 VAL HG22 H 1 0.644 0.030 . 1 . . . . 39 VAL HG2 . 10299 1 365 . 1 1 39 39 VAL HG23 H 1 0.644 0.030 . 1 . . . . 39 VAL HG2 . 10299 1 366 . 1 1 39 39 VAL CA C 13 60.102 0.300 . 1 . . . . 39 VAL CA . 10299 1 367 . 1 1 39 39 VAL CB C 13 33.155 0.300 . 1 . . . . 39 VAL CB . 10299 1 368 . 1 1 39 39 VAL CG1 C 13 20.959 0.300 . 2 . . . . 39 VAL CG1 . 10299 1 369 . 1 1 39 39 VAL CG2 C 13 20.588 0.300 . 2 . . . . 39 VAL CG2 . 10299 1 370 . 1 1 39 39 VAL N N 15 123.607 0.300 . 1 . . . . 39 VAL N . 10299 1 371 . 1 1 40 40 PRO HA H 1 4.379 0.030 . 1 . . . . 40 PRO HA . 10299 1 372 . 1 1 40 40 PRO HB2 H 1 2.246 0.030 . 2 . . . . 40 PRO HB2 . 10299 1 373 . 1 1 40 40 PRO HB3 H 1 1.856 0.030 . 2 . . . . 40 PRO HB3 . 10299 1 374 . 1 1 40 40 PRO HD2 H 1 4.027 0.030 . 2 . . . . 40 PRO HD2 . 10299 1 375 . 1 1 40 40 PRO HD3 H 1 3.724 0.030 . 2 . . . . 40 PRO HD3 . 10299 1 376 . 1 1 40 40 PRO HG2 H 1 2.036 0.030 . 2 . . . . 40 PRO HG2 . 10299 1 377 . 1 1 40 40 PRO HG3 H 1 1.954 0.030 . 2 . . . . 40 PRO HG3 . 10299 1 378 . 1 1 40 40 PRO C C 13 175.595 0.300 . 1 . . . . 40 PRO C . 10299 1 379 . 1 1 40 40 PRO CA C 13 62.993 0.300 . 1 . . . . 40 PRO CA . 10299 1 380 . 1 1 40 40 PRO CB C 13 32.493 0.300 . 1 . . . . 40 PRO CB . 10299 1 381 . 1 1 40 40 PRO CD C 13 51.440 0.300 . 1 . . . . 40 PRO CD . 10299 1 382 . 1 1 40 40 PRO CG C 13 27.136 0.300 . 1 . . . . 40 PRO CG . 10299 1 383 . 1 1 41 41 ALA H H 1 8.444 0.030 . 1 . . . . 41 ALA H . 10299 1 384 . 1 1 41 41 ALA HA H 1 4.117 0.030 . 1 . . . . 41 ALA HA . 10299 1 385 . 1 1 41 41 ALA HB1 H 1 0.918 0.030 . 1 . . . . 41 ALA HB . 10299 1 386 . 1 1 41 41 ALA HB2 H 1 0.918 0.030 . 1 . . . . 41 ALA HB . 10299 1 387 . 1 1 41 41 ALA HB3 H 1 0.918 0.030 . 1 . . . . 41 ALA HB . 10299 1 388 . 1 1 41 41 ALA C C 13 176.877 0.300 . 1 . . . . 41 ALA C . 10299 1 389 . 1 1 41 41 ALA CA C 13 50.791 0.300 . 1 . . . . 41 ALA CA . 10299 1 390 . 1 1 41 41 ALA CB C 13 20.036 0.300 . 1 . . . . 41 ALA CB . 10299 1 391 . 1 1 41 41 ALA N N 15 122.345 0.300 . 1 . . . . 41 ALA N . 10299 1 392 . 1 1 42 42 ASP H H 1 8.717 0.030 . 1 . . . . 42 ASP H . 10299 1 393 . 1 1 42 42 ASP HA H 1 4.504 0.030 . 1 . . . . 42 ASP HA . 10299 1 394 . 1 1 42 42 ASP HB2 H 1 2.646 0.030 . 2 . . . . 42 ASP HB2 . 10299 1 395 . 1 1 42 42 ASP HB3 H 1 2.260 0.030 . 2 . . . . 42 ASP HB3 . 10299 1 396 . 1 1 42 42 ASP C C 13 176.159 0.300 . 1 . . . . 42 ASP C . 10299 1 397 . 1 1 42 42 ASP CA C 13 55.164 0.300 . 1 . . . . 42 ASP CA . 10299 1 398 . 1 1 42 42 ASP CB C 13 41.651 0.300 . 1 . . . . 42 ASP CB . 10299 1 399 . 1 1 42 42 ASP N N 15 121.933 0.300 . 1 . . . . 42 ASP N . 10299 1 400 . 1 1 43 43 GLY H H 1 6.604 0.030 . 1 . . . . 43 GLY H . 10299 1 401 . 1 1 43 43 GLY HA2 H 1 3.545 0.030 . 2 . . . . 43 GLY HA2 . 10299 1 402 . 1 1 43 43 GLY HA3 H 1 3.064 0.030 . 2 . . . . 43 GLY HA3 . 10299 1 403 . 1 1 43 43 GLY C C 13 168.522 0.300 . 1 . . . . 43 GLY C . 10299 1 404 . 1 1 43 43 GLY CA C 13 44.999 0.300 . 1 . . . . 43 GLY CA . 10299 1 405 . 1 1 43 43 GLY N N 15 104.692 0.300 . 1 . . . . 43 GLY N . 10299 1 406 . 1 1 44 44 TYR H H 1 8.973 0.030 . 1 . . . . 44 TYR H . 10299 1 407 . 1 1 44 44 TYR HA H 1 5.251 0.030 . 1 . . . . 44 TYR HA . 10299 1 408 . 1 1 44 44 TYR HB2 H 1 2.828 0.030 . 2 . . . . 44 TYR HB2 . 10299 1 409 . 1 1 44 44 TYR HB3 H 1 2.557 0.030 . 2 . . . . 44 TYR HB3 . 10299 1 410 . 1 1 44 44 TYR HD1 H 1 6.813 0.030 . 1 . . . . 44 TYR HD1 . 10299 1 411 . 1 1 44 44 TYR HD2 H 1 6.813 0.030 . 1 . . . . 44 TYR HD2 . 10299 1 412 . 1 1 44 44 TYR HE1 H 1 6.810 0.030 . 1 . . . . 44 TYR HE1 . 10299 1 413 . 1 1 44 44 TYR HE2 H 1 6.810 0.030 . 1 . . . . 44 TYR HE2 . 10299 1 414 . 1 1 44 44 TYR C C 13 173.989 0.300 . 1 . . . . 44 TYR C . 10299 1 415 . 1 1 44 44 TYR CA C 13 56.962 0.300 . 1 . . . . 44 TYR CA . 10299 1 416 . 1 1 44 44 TYR CB C 13 43.867 0.300 . 1 . . . . 44 TYR CB . 10299 1 417 . 1 1 44 44 TYR CD1 C 13 132.259 0.300 . 1 . . . . 44 TYR CD1 . 10299 1 418 . 1 1 44 44 TYR CD2 C 13 132.259 0.300 . 1 . . . . 44 TYR CD2 . 10299 1 419 . 1 1 44 44 TYR CE1 C 13 118.445 0.300 . 1 . . . . 44 TYR CE1 . 10299 1 420 . 1 1 44 44 TYR CE2 C 13 118.445 0.300 . 1 . . . . 44 TYR CE2 . 10299 1 421 . 1 1 44 44 TYR N N 15 116.343 0.300 . 1 . . . . 44 TYR N . 10299 1 422 . 1 1 45 45 ILE H H 1 8.703 0.030 . 1 . . . . 45 ILE H . 10299 1 423 . 1 1 45 45 ILE HA H 1 4.947 0.030 . 1 . . . . 45 ILE HA . 10299 1 424 . 1 1 45 45 ILE HB H 1 1.575 0.030 . 1 . . . . 45 ILE HB . 10299 1 425 . 1 1 45 45 ILE HD11 H 1 0.709 0.030 . 1 . . . . 45 ILE HD1 . 10299 1 426 . 1 1 45 45 ILE HD12 H 1 0.709 0.030 . 1 . . . . 45 ILE HD1 . 10299 1 427 . 1 1 45 45 ILE HD13 H 1 0.709 0.030 . 1 . . . . 45 ILE HD1 . 10299 1 428 . 1 1 45 45 ILE HG12 H 1 1.658 0.030 . 2 . . . . 45 ILE HG12 . 10299 1 429 . 1 1 45 45 ILE HG13 H 1 1.216 0.030 . 2 . . . . 45 ILE HG13 . 10299 1 430 . 1 1 45 45 ILE HG21 H 1 0.977 0.030 . 1 . . . . 45 ILE HG2 . 10299 1 431 . 1 1 45 45 ILE HG22 H 1 0.977 0.030 . 1 . . . . 45 ILE HG2 . 10299 1 432 . 1 1 45 45 ILE HG23 H 1 0.977 0.030 . 1 . . . . 45 ILE HG2 . 10299 1 433 . 1 1 45 45 ILE C C 13 174.118 0.300 . 1 . . . . 45 ILE C . 10299 1 434 . 1 1 45 45 ILE CA C 13 60.842 0.300 . 1 . . . . 45 ILE CA . 10299 1 435 . 1 1 45 45 ILE CB C 13 41.518 0.300 . 1 . . . . 45 ILE CB . 10299 1 436 . 1 1 45 45 ILE CD1 C 13 14.726 0.300 . 1 . . . . 45 ILE CD1 . 10299 1 437 . 1 1 45 45 ILE CG1 C 13 28.125 0.300 . 1 . . . . 45 ILE CG1 . 10299 1 438 . 1 1 45 45 ILE CG2 C 13 17.355 0.300 . 1 . . . . 45 ILE CG2 . 10299 1 439 . 1 1 45 45 ILE N N 15 118.839 0.300 . 1 . . . . 45 ILE N . 10299 1 440 . 1 1 46 46 LEU H H 1 9.331 0.030 . 1 . . . . 46 LEU H . 10299 1 441 . 1 1 46 46 LEU HA H 1 4.757 0.030 . 1 . . . . 46 LEU HA . 10299 1 442 . 1 1 46 46 LEU HB2 H 1 2.000 0.030 . 2 . . . . 46 LEU HB2 . 10299 1 443 . 1 1 46 46 LEU HB3 H 1 0.783 0.030 . 2 . . . . 46 LEU HB3 . 10299 1 444 . 1 1 46 46 LEU HD11 H 1 0.839 0.030 . 1 . . . . 46 LEU HD1 . 10299 1 445 . 1 1 46 46 LEU HD12 H 1 0.839 0.030 . 1 . . . . 46 LEU HD1 . 10299 1 446 . 1 1 46 46 LEU HD13 H 1 0.839 0.030 . 1 . . . . 46 LEU HD1 . 10299 1 447 . 1 1 46 46 LEU HD21 H 1 0.616 0.030 . 1 . . . . 46 LEU HD2 . 10299 1 448 . 1 1 46 46 LEU HD22 H 1 0.616 0.030 . 1 . . . . 46 LEU HD2 . 10299 1 449 . 1 1 46 46 LEU HD23 H 1 0.616 0.030 . 1 . . . . 46 LEU HD2 . 10299 1 450 . 1 1 46 46 LEU HG H 1 1.338 0.030 . 1 . . . . 46 LEU HG . 10299 1 451 . 1 1 46 46 LEU C C 13 175.138 0.300 . 1 . . . . 46 LEU C . 10299 1 452 . 1 1 46 46 LEU CA C 13 53.453 0.300 . 1 . . . . 46 LEU CA . 10299 1 453 . 1 1 46 46 LEU CB C 13 44.670 0.300 . 1 . . . . 46 LEU CB . 10299 1 454 . 1 1 46 46 LEU CD1 C 13 26.232 0.300 . 2 . . . . 46 LEU CD1 . 10299 1 455 . 1 1 46 46 LEU CD2 C 13 22.906 0.300 . 2 . . . . 46 LEU CD2 . 10299 1 456 . 1 1 46 46 LEU CG C 13 27.717 0.300 . 1 . . . . 46 LEU CG . 10299 1 457 . 1 1 46 46 LEU N N 15 128.481 0.300 . 1 . . . . 46 LEU N . 10299 1 458 . 1 1 47 47 GLU H H 1 9.425 0.030 . 1 . . . . 47 GLU H . 10299 1 459 . 1 1 47 47 GLU HA H 1 5.478 0.030 . 1 . . . . 47 GLU HA . 10299 1 460 . 1 1 47 47 GLU HB2 H 1 1.906 0.030 . 2 . . . . 47 GLU HB2 . 10299 1 461 . 1 1 47 47 GLU HB3 H 1 1.591 0.030 . 2 . . . . 47 GLU HB3 . 10299 1 462 . 1 1 47 47 GLU HG2 H 1 2.161 0.030 . 2 . . . . 47 GLU HG2 . 10299 1 463 . 1 1 47 47 GLU HG3 H 1 1.911 0.030 . 2 . . . . 47 GLU HG3 . 10299 1 464 . 1 1 47 47 GLU C C 13 174.406 0.300 . 1 . . . . 47 GLU C . 10299 1 465 . 1 1 47 47 GLU CA C 13 53.831 0.300 . 1 . . . . 47 GLU CA . 10299 1 466 . 1 1 47 47 GLU CB C 13 34.352 0.300 . 1 . . . . 47 GLU CB . 10299 1 467 . 1 1 47 47 GLU CG C 13 35.583 0.300 . 1 . . . . 47 GLU CG . 10299 1 468 . 1 1 47 47 GLU N N 15 126.083 0.300 . 1 . . . . 47 GLU N . 10299 1 469 . 1 1 48 48 LEU H H 1 8.702 0.030 . 1 . . . . 48 LEU H . 10299 1 470 . 1 1 48 48 LEU HA H 1 5.673 0.030 . 1 . . . . 48 LEU HA . 10299 1 471 . 1 1 48 48 LEU HB2 H 1 2.083 0.030 . 2 . . . . 48 LEU HB2 . 10299 1 472 . 1 1 48 48 LEU HB3 H 1 1.368 0.030 . 2 . . . . 48 LEU HB3 . 10299 1 473 . 1 1 48 48 LEU HD11 H 1 0.892 0.030 . 1 . . . . 48 LEU HD1 . 10299 1 474 . 1 1 48 48 LEU HD12 H 1 0.892 0.030 . 1 . . . . 48 LEU HD1 . 10299 1 475 . 1 1 48 48 LEU HD13 H 1 0.892 0.030 . 1 . . . . 48 LEU HD1 . 10299 1 476 . 1 1 48 48 LEU HD21 H 1 0.754 0.030 . 1 . . . . 48 LEU HD2 . 10299 1 477 . 1 1 48 48 LEU HD22 H 1 0.754 0.030 . 1 . . . . 48 LEU HD2 . 10299 1 478 . 1 1 48 48 LEU HD23 H 1 0.754 0.030 . 1 . . . . 48 LEU HD2 . 10299 1 479 . 1 1 48 48 LEU HG H 1 2.231 0.030 . 1 . . . . 48 LEU HG . 10299 1 480 . 1 1 48 48 LEU C C 13 177.479 0.300 . 1 . . . . 48 LEU C . 10299 1 481 . 1 1 48 48 LEU CA C 13 53.708 0.300 . 1 . . . . 48 LEU CA . 10299 1 482 . 1 1 48 48 LEU CB C 13 49.296 0.300 . 1 . . . . 48 LEU CB . 10299 1 483 . 1 1 48 48 LEU CD1 C 13 24.697 0.300 . 2 . . . . 48 LEU CD1 . 10299 1 484 . 1 1 48 48 LEU CD2 C 13 26.559 0.300 . 2 . . . . 48 LEU CD2 . 10299 1 485 . 1 1 48 48 LEU CG C 13 27.861 0.300 . 1 . . . . 48 LEU CG . 10299 1 486 . 1 1 48 48 LEU N N 15 121.276 0.300 . 1 . . . . 48 LEU N . 10299 1 487 . 1 1 49 49 ASP H H 1 8.381 0.030 . 1 . . . . 49 ASP H . 10299 1 488 . 1 1 49 49 ASP HA H 1 4.940 0.030 . 1 . . . . 49 ASP HA . 10299 1 489 . 1 1 49 49 ASP HB2 H 1 2.298 0.030 . 2 . . . . 49 ASP HB2 . 10299 1 490 . 1 1 49 49 ASP HB3 H 1 1.316 0.030 . 2 . . . . 49 ASP HB3 . 10299 1 491 . 1 1 49 49 ASP C C 13 174.267 0.300 . 1 . . . . 49 ASP C . 10299 1 492 . 1 1 49 49 ASP CA C 13 52.254 0.300 . 1 . . . . 49 ASP CA . 10299 1 493 . 1 1 49 49 ASP CB C 13 38.522 0.300 . 1 . . . . 49 ASP CB . 10299 1 494 . 1 1 49 49 ASP N N 15 125.226 0.300 . 1 . . . . 49 ASP N . 10299 1 495 . 1 1 50 50 ASP H H 1 6.593 0.030 . 1 . . . . 50 ASP H . 10299 1 496 . 1 1 50 50 ASP HA H 1 4.570 0.030 . 1 . . . . 50 ASP HA . 10299 1 497 . 1 1 50 50 ASP HB2 H 1 3.084 0.030 . 2 . . . . 50 ASP HB2 . 10299 1 498 . 1 1 50 50 ASP HB3 H 1 2.691 0.030 . 2 . . . . 50 ASP HB3 . 10299 1 499 . 1 1 50 50 ASP C C 13 177.960 0.300 . 1 . . . . 50 ASP C . 10299 1 500 . 1 1 50 50 ASP CA C 13 52.819 0.300 . 1 . . . . 50 ASP CA . 10299 1 501 . 1 1 50 50 ASP CB C 13 41.169 0.300 . 1 . . . . 50 ASP CB . 10299 1 502 . 1 1 50 50 ASP N N 15 110.948 0.300 . 1 . . . . 50 ASP N . 10299 1 503 . 1 1 51 51 GLY H H 1 7.705 0.030 . 1 . . . . 51 GLY H . 10299 1 504 . 1 1 51 51 GLY HA2 H 1 2.938 0.030 . 2 . . . . 51 GLY HA2 . 10299 1 505 . 1 1 51 51 GLY HA3 H 1 2.770 0.030 . 2 . . . . 51 GLY HA3 . 10299 1 506 . 1 1 51 51 GLY C C 13 173.684 0.300 . 1 . . . . 51 GLY C . 10299 1 507 . 1 1 51 51 GLY CA C 13 44.902 0.300 . 1 . . . . 51 GLY CA . 10299 1 508 . 1 1 51 51 GLY N N 15 111.212 0.300 . 1 . . . . 51 GLY N . 10299 1 509 . 1 1 52 52 ASN H H 1 8.190 0.030 . 1 . . . . 52 ASN H . 10299 1 510 . 1 1 52 52 ASN HA H 1 4.892 0.030 . 1 . . . . 52 ASN HA . 10299 1 511 . 1 1 52 52 ASN HB2 H 1 2.632 0.030 . 2 . . . . 52 ASN HB2 . 10299 1 512 . 1 1 52 52 ASN HB3 H 1 2.148 0.030 . 2 . . . . 52 ASN HB3 . 10299 1 513 . 1 1 52 52 ASN HD21 H 1 7.319 0.030 . 2 . . . . 52 ASN HD21 . 10299 1 514 . 1 1 52 52 ASN HD22 H 1 6.694 0.030 . 2 . . . . 52 ASN HD22 . 10299 1 515 . 1 1 52 52 ASN C C 13 176.496 0.300 . 1 . . . . 52 ASN C . 10299 1 516 . 1 1 52 52 ASN CA C 13 52.061 0.300 . 1 . . . . 52 ASN CA . 10299 1 517 . 1 1 52 52 ASN CB C 13 40.323 0.300 . 1 . . . . 52 ASN CB . 10299 1 518 . 1 1 52 52 ASN N N 15 119.071 0.300 . 1 . . . . 52 ASN N . 10299 1 519 . 1 1 52 52 ASN ND2 N 15 112.295 0.300 . 1 . . . . 52 ASN ND2 . 10299 1 520 . 1 1 53 53 GLY H H 1 9.029 0.030 . 1 . . . . 53 GLY H . 10299 1 521 . 1 1 53 53 GLY HA2 H 1 3.860 0.030 . 2 . . . . 53 GLY HA2 . 10299 1 522 . 1 1 53 53 GLY HA3 H 1 3.651 0.030 . 2 . . . . 53 GLY HA3 . 10299 1 523 . 1 1 53 53 GLY C C 13 175.276 0.300 . 1 . . . . 53 GLY C . 10299 1 524 . 1 1 53 53 GLY CA C 13 46.306 0.300 . 1 . . . . 53 GLY CA . 10299 1 525 . 1 1 53 53 GLY N N 15 109.603 0.300 . 1 . . . . 53 GLY N . 10299 1 526 . 1 1 54 54 GLY H H 1 9.003 0.030 . 1 . . . . 54 GLY H . 10299 1 527 . 1 1 54 54 GLY HA2 H 1 4.197 0.030 . 2 . . . . 54 GLY HA2 . 10299 1 528 . 1 1 54 54 GLY HA3 H 1 3.702 0.030 . 2 . . . . 54 GLY HA3 . 10299 1 529 . 1 1 54 54 GLY C C 13 173.458 0.300 . 1 . . . . 54 GLY C . 10299 1 530 . 1 1 54 54 GLY CA C 13 43.605 0.300 . 1 . . . . 54 GLY CA . 10299 1 531 . 1 1 54 54 GLY N N 15 110.354 0.300 . 1 . . . . 54 GLY N . 10299 1 532 . 1 1 55 55 GLN H H 1 8.103 0.030 . 1 . . . . 55 GLN H . 10299 1 533 . 1 1 55 55 GLN HA H 1 4.118 0.030 . 1 . . . . 55 GLN HA . 10299 1 534 . 1 1 55 55 GLN HB2 H 1 2.076 0.030 . 2 . . . . 55 GLN HB2 . 10299 1 535 . 1 1 55 55 GLN HB3 H 1 1.894 0.030 . 2 . . . . 55 GLN HB3 . 10299 1 536 . 1 1 55 55 GLN HE21 H 1 7.617 0.030 . 2 . . . . 55 GLN HE21 . 10299 1 537 . 1 1 55 55 GLN HE22 H 1 6.911 0.030 . 2 . . . . 55 GLN HE22 . 10299 1 538 . 1 1 55 55 GLN HG2 H 1 2.417 0.030 . 1 . . . . 55 GLN HG2 . 10299 1 539 . 1 1 55 55 GLN HG3 H 1 2.417 0.030 . 1 . . . . 55 GLN HG3 . 10299 1 540 . 1 1 55 55 GLN C C 13 176.883 0.300 . 1 . . . . 55 GLN C . 10299 1 541 . 1 1 55 55 GLN CA C 13 55.685 0.300 . 1 . . . . 55 GLN CA . 10299 1 542 . 1 1 55 55 GLN CB C 13 29.930 0.300 . 1 . . . . 55 GLN CB . 10299 1 543 . 1 1 55 55 GLN CG C 13 33.812 0.300 . 1 . . . . 55 GLN CG . 10299 1 544 . 1 1 55 55 GLN N N 15 117.462 0.300 . 1 . . . . 55 GLN N . 10299 1 545 . 1 1 55 55 GLN NE2 N 15 113.041 0.300 . 1 . . . . 55 GLN NE2 . 10299 1 546 . 1 1 56 56 PHE H H 1 8.372 0.030 . 1 . . . . 56 PHE H . 10299 1 547 . 1 1 56 56 PHE HA H 1 4.087 0.030 . 1 . . . . 56 PHE HA . 10299 1 548 . 1 1 56 56 PHE HB2 H 1 2.946 0.030 . 2 . . . . 56 PHE HB2 . 10299 1 549 . 1 1 56 56 PHE HB3 H 1 2.682 0.030 . 2 . . . . 56 PHE HB3 . 10299 1 550 . 1 1 56 56 PHE HD1 H 1 6.967 0.030 . 1 . . . . 56 PHE HD1 . 10299 1 551 . 1 1 56 56 PHE HD2 H 1 6.967 0.030 . 1 . . . . 56 PHE HD2 . 10299 1 552 . 1 1 56 56 PHE HE1 H 1 6.918 0.030 . 1 . . . . 56 PHE HE1 . 10299 1 553 . 1 1 56 56 PHE HE2 H 1 6.918 0.030 . 1 . . . . 56 PHE HE2 . 10299 1 554 . 1 1 56 56 PHE C C 13 176.284 0.300 . 1 . . . . 56 PHE C . 10299 1 555 . 1 1 56 56 PHE CA C 13 60.224 0.300 . 1 . . . . 56 PHE CA . 10299 1 556 . 1 1 56 56 PHE CB C 13 40.932 0.300 . 1 . . . . 56 PHE CB . 10299 1 557 . 1 1 56 56 PHE CD1 C 13 131.428 0.300 . 1 . . . . 56 PHE CD1 . 10299 1 558 . 1 1 56 56 PHE CD2 C 13 131.428 0.300 . 1 . . . . 56 PHE CD2 . 10299 1 559 . 1 1 56 56 PHE CE1 C 13 128.779 0.300 . 1 . . . . 56 PHE CE1 . 10299 1 560 . 1 1 56 56 PHE CE2 C 13 128.779 0.300 . 1 . . . . 56 PHE CE2 . 10299 1 561 . 1 1 56 56 PHE N N 15 119.638 0.300 . 1 . . . . 56 PHE N . 10299 1 562 . 1 1 57 57 ARG H H 1 8.747 0.030 . 1 . . . . 57 ARG H . 10299 1 563 . 1 1 57 57 ARG HA H 1 4.768 0.030 . 1 . . . . 57 ARG HA . 10299 1 564 . 1 1 57 57 ARG HB2 H 1 1.828 0.030 . 1 . . . . 57 ARG HB2 . 10299 1 565 . 1 1 57 57 ARG HB3 H 1 1.828 0.030 . 1 . . . . 57 ARG HB3 . 10299 1 566 . 1 1 57 57 ARG HD2 H 1 3.235 0.030 . 2 . . . . 57 ARG HD2 . 10299 1 567 . 1 1 57 57 ARG HD3 H 1 3.166 0.030 . 2 . . . . 57 ARG HD3 . 10299 1 568 . 1 1 57 57 ARG HG2 H 1 1.708 0.030 . 2 . . . . 57 ARG HG2 . 10299 1 569 . 1 1 57 57 ARG HG3 H 1 1.573 0.030 . 2 . . . . 57 ARG HG3 . 10299 1 570 . 1 1 57 57 ARG C C 13 175.271 0.300 . 1 . . . . 57 ARG C . 10299 1 571 . 1 1 57 57 ARG CA C 13 53.894 0.300 . 1 . . . . 57 ARG CA . 10299 1 572 . 1 1 57 57 ARG CB C 13 32.987 0.300 . 1 . . . . 57 ARG CB . 10299 1 573 . 1 1 57 57 ARG CD C 13 43.314 0.300 . 1 . . . . 57 ARG CD . 10299 1 574 . 1 1 57 57 ARG CG C 13 26.530 0.300 . 1 . . . . 57 ARG CG . 10299 1 575 . 1 1 57 57 ARG N N 15 120.208 0.300 . 1 . . . . 57 ARG N . 10299 1 576 . 1 1 58 58 GLU H H 1 8.879 0.030 . 1 . . . . 58 GLU H . 10299 1 577 . 1 1 58 58 GLU HA H 1 4.306 0.030 . 1 . . . . 58 GLU HA . 10299 1 578 . 1 1 58 58 GLU HB2 H 1 2.011 0.030 . 2 . . . . 58 GLU HB2 . 10299 1 579 . 1 1 58 58 GLU HB3 H 1 1.738 0.030 . 2 . . . . 58 GLU HB3 . 10299 1 580 . 1 1 58 58 GLU HG2 H 1 2.343 0.030 . 2 . . . . 58 GLU HG2 . 10299 1 581 . 1 1 58 58 GLU HG3 H 1 2.005 0.030 . 2 . . . . 58 GLU HG3 . 10299 1 582 . 1 1 58 58 GLU C C 13 177.247 0.300 . 1 . . . . 58 GLU C . 10299 1 583 . 1 1 58 58 GLU CA C 13 57.739 0.300 . 1 . . . . 58 GLU CA . 10299 1 584 . 1 1 58 58 GLU CB C 13 29.963 0.300 . 1 . . . . 58 GLU CB . 10299 1 585 . 1 1 58 58 GLU CG C 13 36.396 0.300 . 1 . . . . 58 GLU CG . 10299 1 586 . 1 1 58 58 GLU N N 15 121.207 0.300 . 1 . . . . 58 GLU N . 10299 1 587 . 1 1 59 59 VAL H H 1 9.195 0.030 . 1 . . . . 59 VAL H . 10299 1 588 . 1 1 59 59 VAL HA H 1 4.642 0.030 . 1 . . . . 59 VAL HA . 10299 1 589 . 1 1 59 59 VAL HB H 1 2.285 0.030 . 1 . . . . 59 VAL HB . 10299 1 590 . 1 1 59 59 VAL HG11 H 1 1.026 0.030 . 1 . . . . 59 VAL HG1 . 10299 1 591 . 1 1 59 59 VAL HG12 H 1 1.026 0.030 . 1 . . . . 59 VAL HG1 . 10299 1 592 . 1 1 59 59 VAL HG13 H 1 1.026 0.030 . 1 . . . . 59 VAL HG1 . 10299 1 593 . 1 1 59 59 VAL HG21 H 1 0.873 0.030 . 1 . . . . 59 VAL HG2 . 10299 1 594 . 1 1 59 59 VAL HG22 H 1 0.873 0.030 . 1 . . . . 59 VAL HG2 . 10299 1 595 . 1 1 59 59 VAL HG23 H 1 0.873 0.030 . 1 . . . . 59 VAL HG2 . 10299 1 596 . 1 1 59 59 VAL C C 13 175.361 0.300 . 1 . . . . 59 VAL C . 10299 1 597 . 1 1 59 59 VAL CA C 13 61.423 0.300 . 1 . . . . 59 VAL CA . 10299 1 598 . 1 1 59 59 VAL CB C 13 33.729 0.300 . 1 . . . . 59 VAL CB . 10299 1 599 . 1 1 59 59 VAL CG1 C 13 22.175 0.300 . 2 . . . . 59 VAL CG1 . 10299 1 600 . 1 1 59 59 VAL CG2 C 13 20.543 0.300 . 2 . . . . 59 VAL CG2 . 10299 1 601 . 1 1 59 59 VAL N N 15 118.315 0.300 . 1 . . . . 59 VAL N . 10299 1 602 . 1 1 60 60 TYR H H 1 7.655 0.030 . 1 . . . . 60 TYR H . 10299 1 603 . 1 1 60 60 TYR HA H 1 4.687 0.030 . 1 . . . . 60 TYR HA . 10299 1 604 . 1 1 60 60 TYR HB2 H 1 3.569 0.030 . 2 . . . . 60 TYR HB2 . 10299 1 605 . 1 1 60 60 TYR HB3 H 1 2.665 0.030 . 2 . . . . 60 TYR HB3 . 10299 1 606 . 1 1 60 60 TYR HD1 H 1 7.084 0.030 . 1 . . . . 60 TYR HD1 . 10299 1 607 . 1 1 60 60 TYR HD2 H 1 7.084 0.030 . 1 . . . . 60 TYR HD2 . 10299 1 608 . 1 1 60 60 TYR HE1 H 1 7.012 0.030 . 1 . . . . 60 TYR HE1 . 10299 1 609 . 1 1 60 60 TYR HE2 H 1 7.012 0.030 . 1 . . . . 60 TYR HE2 . 10299 1 610 . 1 1 60 60 TYR C C 13 172.385 0.300 . 1 . . . . 60 TYR C . 10299 1 611 . 1 1 60 60 TYR CA C 13 59.626 0.300 . 1 . . . . 60 TYR CA . 10299 1 612 . 1 1 60 60 TYR CB C 13 42.340 0.300 . 1 . . . . 60 TYR CB . 10299 1 613 . 1 1 60 60 TYR CD1 C 13 132.720 0.300 . 1 . . . . 60 TYR CD1 . 10299 1 614 . 1 1 60 60 TYR CD2 C 13 132.720 0.300 . 1 . . . . 60 TYR CD2 . 10299 1 615 . 1 1 60 60 TYR CE1 C 13 118.492 0.300 . 1 . . . . 60 TYR CE1 . 10299 1 616 . 1 1 60 60 TYR CE2 C 13 118.492 0.300 . 1 . . . . 60 TYR CE2 . 10299 1 617 . 1 1 60 60 TYR N N 15 121.676 0.300 . 1 . . . . 60 TYR N . 10299 1 618 . 1 1 61 61 VAL H H 1 7.344 0.030 . 1 . . . . 61 VAL H . 10299 1 619 . 1 1 61 61 VAL HA H 1 4.998 0.030 . 1 . . . . 61 VAL HA . 10299 1 620 . 1 1 61 61 VAL HB H 1 1.805 0.030 . 1 . . . . 61 VAL HB . 10299 1 621 . 1 1 61 61 VAL HG11 H 1 0.892 0.030 . 1 . . . . 61 VAL HG1 . 10299 1 622 . 1 1 61 61 VAL HG12 H 1 0.892 0.030 . 1 . . . . 61 VAL HG1 . 10299 1 623 . 1 1 61 61 VAL HG13 H 1 0.892 0.030 . 1 . . . . 61 VAL HG1 . 10299 1 624 . 1 1 61 61 VAL HG21 H 1 0.819 0.030 . 1 . . . . 61 VAL HG2 . 10299 1 625 . 1 1 61 61 VAL HG22 H 1 0.819 0.030 . 1 . . . . 61 VAL HG2 . 10299 1 626 . 1 1 61 61 VAL HG23 H 1 0.819 0.030 . 1 . . . . 61 VAL HG2 . 10299 1 627 . 1 1 61 61 VAL C C 13 175.279 0.300 . 1 . . . . 61 VAL C . 10299 1 628 . 1 1 61 61 VAL CA C 13 60.340 0.300 . 1 . . . . 61 VAL CA . 10299 1 629 . 1 1 61 61 VAL CB C 13 34.733 0.300 . 1 . . . . 61 VAL CB . 10299 1 630 . 1 1 61 61 VAL CG1 C 13 21.120 0.300 . 2 . . . . 61 VAL CG1 . 10299 1 631 . 1 1 61 61 VAL CG2 C 13 19.968 0.300 . 2 . . . . 61 VAL CG2 . 10299 1 632 . 1 1 61 61 VAL N N 15 127.362 0.300 . 1 . . . . 61 VAL N . 10299 1 633 . 1 1 62 62 GLY H H 1 8.637 0.030 . 1 . . . . 62 GLY H . 10299 1 634 . 1 1 62 62 GLY HA2 H 1 4.524 0.030 . 2 . . . . 62 GLY HA2 . 10299 1 635 . 1 1 62 62 GLY HA3 H 1 4.152 0.030 . 2 . . . . 62 GLY HA3 . 10299 1 636 . 1 1 62 62 GLY C C 13 172.775 0.300 . 1 . . . . 62 GLY C . 10299 1 637 . 1 1 62 62 GLY CA C 13 45.854 0.300 . 1 . . . . 62 GLY CA . 10299 1 638 . 1 1 62 62 GLY N N 15 113.860 0.300 . 1 . . . . 62 GLY N . 10299 1 639 . 1 1 63 63 LYS H H 1 8.853 0.030 . 1 . . . . 63 LYS H . 10299 1 640 . 1 1 63 63 LYS HA H 1 4.633 0.030 . 1 . . . . 63 LYS HA . 10299 1 641 . 1 1 63 63 LYS HB2 H 1 2.036 0.030 . 2 . . . . 63 LYS HB2 . 10299 1 642 . 1 1 63 63 LYS HB3 H 1 1.962 0.030 . 2 . . . . 63 LYS HB3 . 10299 1 643 . 1 1 63 63 LYS HD2 H 1 1.786 0.030 . 1 . . . . 63 LYS HD2 . 10299 1 644 . 1 1 63 63 LYS HD3 H 1 1.786 0.030 . 1 . . . . 63 LYS HD3 . 10299 1 645 . 1 1 63 63 LYS HE2 H 1 3.102 0.030 . 1 . . . . 63 LYS HE2 . 10299 1 646 . 1 1 63 63 LYS HE3 H 1 3.102 0.030 . 1 . . . . 63 LYS HE3 . 10299 1 647 . 1 1 63 63 LYS HG2 H 1 1.710 0.030 . 2 . . . . 63 LYS HG2 . 10299 1 648 . 1 1 63 63 LYS HG3 H 1 1.518 0.030 . 2 . . . . 63 LYS HG3 . 10299 1 649 . 1 1 63 63 LYS C C 13 177.542 0.300 . 1 . . . . 63 LYS C . 10299 1 650 . 1 1 63 63 LYS CA C 13 57.245 0.300 . 1 . . . . 63 LYS CA . 10299 1 651 . 1 1 63 63 LYS CB C 13 34.141 0.300 . 1 . . . . 63 LYS CB . 10299 1 652 . 1 1 63 63 LYS CD C 13 29.405 0.300 . 1 . . . . 63 LYS CD . 10299 1 653 . 1 1 63 63 LYS CE C 13 42.175 0.300 . 1 . . . . 63 LYS CE . 10299 1 654 . 1 1 63 63 LYS CG C 13 24.828 0.300 . 1 . . . . 63 LYS CG . 10299 1 655 . 1 1 63 63 LYS N N 15 116.919 0.300 . 1 . . . . 63 LYS N . 10299 1 656 . 1 1 64 64 GLU H H 1 8.412 0.030 . 1 . . . . 64 GLU H . 10299 1 657 . 1 1 64 64 GLU HA H 1 4.409 0.030 . 1 . . . . 64 GLU HA . 10299 1 658 . 1 1 64 64 GLU HB2 H 1 2.238 0.030 . 2 . . . . 64 GLU HB2 . 10299 1 659 . 1 1 64 64 GLU HB3 H 1 2.142 0.030 . 2 . . . . 64 GLU HB3 . 10299 1 660 . 1 1 64 64 GLU HG2 H 1 2.498 0.030 . 2 . . . . 64 GLU HG2 . 10299 1 661 . 1 1 64 64 GLU HG3 H 1 2.446 0.030 . 2 . . . . 64 GLU HG3 . 10299 1 662 . 1 1 64 64 GLU C C 13 174.745 0.300 . 1 . . . . 64 GLU C . 10299 1 663 . 1 1 64 64 GLU CA C 13 56.636 0.300 . 1 . . . . 64 GLU CA . 10299 1 664 . 1 1 64 64 GLU CB C 13 29.919 0.300 . 1 . . . . 64 GLU CB . 10299 1 665 . 1 1 64 64 GLU CG C 13 37.109 0.300 . 1 . . . . 64 GLU CG . 10299 1 666 . 1 1 64 64 GLU N N 15 118.777 0.300 . 1 . . . . 64 GLU N . 10299 1 667 . 1 1 65 65 THR H H 1 7.701 0.030 . 1 . . . . 65 THR H . 10299 1 668 . 1 1 65 65 THR HA H 1 3.269 0.030 . 1 . . . . 65 THR HA . 10299 1 669 . 1 1 65 65 THR HB H 1 4.394 0.030 . 1 . . . . 65 THR HB . 10299 1 670 . 1 1 65 65 THR HG21 H 1 0.888 0.030 . 1 . . . . 65 THR HG2 . 10299 1 671 . 1 1 65 65 THR HG22 H 1 0.888 0.030 . 1 . . . . 65 THR HG2 . 10299 1 672 . 1 1 65 65 THR HG23 H 1 0.888 0.030 . 1 . . . . 65 THR HG2 . 10299 1 673 . 1 1 65 65 THR C C 13 171.870 0.300 . 1 . . . . 65 THR C . 10299 1 674 . 1 1 65 65 THR CA C 13 59.325 0.300 . 1 . . . . 65 THR CA . 10299 1 675 . 1 1 65 65 THR CB C 13 67.479 0.300 . 1 . . . . 65 THR CB . 10299 1 676 . 1 1 65 65 THR CG2 C 13 21.284 0.300 . 1 . . . . 65 THR CG2 . 10299 1 677 . 1 1 65 65 THR N N 15 103.664 0.300 . 1 . . . . 65 THR N . 10299 1 678 . 1 1 66 66 MET H H 1 6.401 0.030 . 1 . . . . 66 MET H . 10299 1 679 . 1 1 66 66 MET HA H 1 4.141 0.030 . 1 . . . . 66 MET HA . 10299 1 680 . 1 1 66 66 MET HB2 H 1 1.634 0.030 . 2 . . . . 66 MET HB2 . 10299 1 681 . 1 1 66 66 MET HB3 H 1 1.559 0.030 . 2 . . . . 66 MET HB3 . 10299 1 682 . 1 1 66 66 MET HE1 H 1 1.805 0.030 . 1 . . . . 66 MET HE . 10299 1 683 . 1 1 66 66 MET HE2 H 1 1.805 0.030 . 1 . . . . 66 MET HE . 10299 1 684 . 1 1 66 66 MET HE3 H 1 1.805 0.030 . 1 . . . . 66 MET HE . 10299 1 685 . 1 1 66 66 MET HG2 H 1 2.093 0.030 . 1 . . . . 66 MET HG2 . 10299 1 686 . 1 1 66 66 MET HG3 H 1 2.093 0.030 . 1 . . . . 66 MET HG3 . 10299 1 687 . 1 1 66 66 MET C C 13 174.383 0.300 . 1 . . . . 66 MET C . 10299 1 688 . 1 1 66 66 MET CA C 13 54.107 0.300 . 1 . . . . 66 MET CA . 10299 1 689 . 1 1 66 66 MET CB C 13 35.676 0.300 . 1 . . . . 66 MET CB . 10299 1 690 . 1 1 66 66 MET CE C 13 16.507 0.300 . 1 . . . . 66 MET CE . 10299 1 691 . 1 1 66 66 MET CG C 13 30.362 0.300 . 1 . . . . 66 MET CG . 10299 1 692 . 1 1 66 66 MET N N 15 115.325 0.300 . 1 . . . . 66 MET N . 10299 1 693 . 1 1 67 67 CYS H H 1 8.498 0.030 . 1 . . . . 67 CYS H . 10299 1 694 . 1 1 67 67 CYS HA H 1 4.360 0.030 . 1 . . . . 67 CYS HA . 10299 1 695 . 1 1 67 67 CYS HB2 H 1 2.635 0.030 . 2 . . . . 67 CYS HB2 . 10299 1 696 . 1 1 67 67 CYS HB3 H 1 2.280 0.030 . 2 . . . . 67 CYS HB3 . 10299 1 697 . 1 1 67 67 CYS C C 13 172.184 0.300 . 1 . . . . 67 CYS C . 10299 1 698 . 1 1 67 67 CYS CA C 13 58.196 0.300 . 1 . . . . 67 CYS CA . 10299 1 699 . 1 1 67 67 CYS CB C 13 30.231 0.300 . 1 . . . . 67 CYS CB . 10299 1 700 . 1 1 67 67 CYS N N 15 118.288 0.300 . 1 . . . . 67 CYS N . 10299 1 701 . 1 1 68 68 THR H H 1 8.653 0.030 . 1 . . . . 68 THR H . 10299 1 702 . 1 1 68 68 THR HA H 1 5.202 0.030 . 1 . . . . 68 THR HA . 10299 1 703 . 1 1 68 68 THR HB H 1 3.816 0.030 . 1 . . . . 68 THR HB . 10299 1 704 . 1 1 68 68 THR HG21 H 1 1.033 0.030 . 1 . . . . 68 THR HG2 . 10299 1 705 . 1 1 68 68 THR HG22 H 1 1.033 0.030 . 1 . . . . 68 THR HG2 . 10299 1 706 . 1 1 68 68 THR HG23 H 1 1.033 0.030 . 1 . . . . 68 THR HG2 . 10299 1 707 . 1 1 68 68 THR C C 13 173.924 0.300 . 1 . . . . 68 THR C . 10299 1 708 . 1 1 68 68 THR CA C 13 61.935 0.300 . 1 . . . . 68 THR CA . 10299 1 709 . 1 1 68 68 THR CB C 13 70.345 0.300 . 1 . . . . 68 THR CB . 10299 1 710 . 1 1 68 68 THR CG2 C 13 21.861 0.300 . 1 . . . . 68 THR CG2 . 10299 1 711 . 1 1 68 68 THR N N 15 123.211 0.300 . 1 . . . . 68 THR N . 10299 1 712 . 1 1 69 69 VAL H H 1 9.270 0.030 . 1 . . . . 69 VAL H . 10299 1 713 . 1 1 69 69 VAL HA H 1 4.301 0.030 . 1 . . . . 69 VAL HA . 10299 1 714 . 1 1 69 69 VAL HB H 1 1.956 0.030 . 1 . . . . 69 VAL HB . 10299 1 715 . 1 1 69 69 VAL HG11 H 1 0.861 0.030 . 1 . . . . 69 VAL HG1 . 10299 1 716 . 1 1 69 69 VAL HG12 H 1 0.861 0.030 . 1 . . . . 69 VAL HG1 . 10299 1 717 . 1 1 69 69 VAL HG13 H 1 0.861 0.030 . 1 . . . . 69 VAL HG1 . 10299 1 718 . 1 1 69 69 VAL HG21 H 1 0.822 0.030 . 1 . . . . 69 VAL HG2 . 10299 1 719 . 1 1 69 69 VAL HG22 H 1 0.822 0.030 . 1 . . . . 69 VAL HG2 . 10299 1 720 . 1 1 69 69 VAL HG23 H 1 0.822 0.030 . 1 . . . . 69 VAL HG2 . 10299 1 721 . 1 1 69 69 VAL C C 13 173.637 0.300 . 1 . . . . 69 VAL C . 10299 1 722 . 1 1 69 69 VAL CA C 13 60.401 0.300 . 1 . . . . 69 VAL CA . 10299 1 723 . 1 1 69 69 VAL CB C 13 32.946 0.300 . 1 . . . . 69 VAL CB . 10299 1 724 . 1 1 69 69 VAL CG1 C 13 21.898 0.300 . 2 . . . . 69 VAL CG1 . 10299 1 725 . 1 1 69 69 VAL CG2 C 13 19.977 0.300 . 2 . . . . 69 VAL CG2 . 10299 1 726 . 1 1 69 69 VAL N N 15 126.405 0.300 . 1 . . . . 69 VAL N . 10299 1 727 . 1 1 70 70 ASP H H 1 8.183 0.030 . 1 . . . . 70 ASP H . 10299 1 728 . 1 1 70 70 ASP HA H 1 4.994 0.030 . 1 . . . . 70 ASP HA . 10299 1 729 . 1 1 70 70 ASP HB2 H 1 2.623 0.030 . 2 . . . . 70 ASP HB2 . 10299 1 730 . 1 1 70 70 ASP HB3 H 1 2.530 0.030 . 2 . . . . 70 ASP HB3 . 10299 1 731 . 1 1 70 70 ASP C C 13 176.102 0.300 . 1 . . . . 70 ASP C . 10299 1 732 . 1 1 70 70 ASP CA C 13 52.333 0.300 . 1 . . . . 70 ASP CA . 10299 1 733 . 1 1 70 70 ASP CB C 13 43.455 0.300 . 1 . . . . 70 ASP CB . 10299 1 734 . 1 1 70 70 ASP N N 15 123.639 0.300 . 1 . . . . 70 ASP N . 10299 1 735 . 1 1 71 71 GLY H H 1 8.341 0.030 . 1 . . . . 71 GLY H . 10299 1 736 . 1 1 71 71 GLY HA2 H 1 3.803 0.030 . 2 . . . . 71 GLY HA2 . 10299 1 737 . 1 1 71 71 GLY HA3 H 1 3.627 0.030 . 2 . . . . 71 GLY HA3 . 10299 1 738 . 1 1 71 71 GLY C C 13 175.548 0.300 . 1 . . . . 71 GLY C . 10299 1 739 . 1 1 71 71 GLY CA C 13 46.418 0.300 . 1 . . . . 71 GLY CA . 10299 1 740 . 1 1 71 71 GLY N N 15 105.447 0.300 . 1 . . . . 71 GLY N . 10299 1 741 . 1 1 72 72 LEU H H 1 7.876 0.030 . 1 . . . . 72 LEU H . 10299 1 742 . 1 1 72 72 LEU HA H 1 3.865 0.030 . 1 . . . . 72 LEU HA . 10299 1 743 . 1 1 72 72 LEU HB2 H 1 1.137 0.030 . 2 . . . . 72 LEU HB2 . 10299 1 744 . 1 1 72 72 LEU HB3 H 1 1.016 0.030 . 2 . . . . 72 LEU HB3 . 10299 1 745 . 1 1 72 72 LEU HD11 H 1 0.165 0.030 . 1 . . . . 72 LEU HD1 . 10299 1 746 . 1 1 72 72 LEU HD12 H 1 0.165 0.030 . 1 . . . . 72 LEU HD1 . 10299 1 747 . 1 1 72 72 LEU HD13 H 1 0.165 0.030 . 1 . . . . 72 LEU HD1 . 10299 1 748 . 1 1 72 72 LEU HD21 H 1 -0.166 0.030 . 1 . . . . 72 LEU HD2 . 10299 1 749 . 1 1 72 72 LEU HD22 H 1 -0.166 0.030 . 1 . . . . 72 LEU HD2 . 10299 1 750 . 1 1 72 72 LEU HD23 H 1 -0.166 0.030 . 1 . . . . 72 LEU HD2 . 10299 1 751 . 1 1 72 72 LEU HG H 1 1.089 0.030 . 1 . . . . 72 LEU HG . 10299 1 752 . 1 1 72 72 LEU C C 13 176.810 0.300 . 1 . . . . 72 LEU C . 10299 1 753 . 1 1 72 72 LEU CA C 13 54.353 0.300 . 1 . . . . 72 LEU CA . 10299 1 754 . 1 1 72 72 LEU CB C 13 40.733 0.300 . 1 . . . . 72 LEU CB . 10299 1 755 . 1 1 72 72 LEU CD1 C 13 25.323 0.300 . 2 . . . . 72 LEU CD1 . 10299 1 756 . 1 1 72 72 LEU CD2 C 13 20.214 0.300 . 2 . . . . 72 LEU CD2 . 10299 1 757 . 1 1 72 72 LEU CG C 13 26.464 0.300 . 1 . . . . 72 LEU CG . 10299 1 758 . 1 1 72 72 LEU N N 15 118.464 0.300 . 1 . . . . 72 LEU N . 10299 1 759 . 1 1 73 73 HIS H H 1 8.714 0.030 . 1 . . . . 73 HIS H . 10299 1 760 . 1 1 73 73 HIS HA H 1 4.612 0.030 . 1 . . . . 73 HIS HA . 10299 1 761 . 1 1 73 73 HIS HB2 H 1 3.160 0.030 . 1 . . . . 73 HIS HB2 . 10299 1 762 . 1 1 73 73 HIS HB3 H 1 3.160 0.030 . 1 . . . . 73 HIS HB3 . 10299 1 763 . 1 1 73 73 HIS HD2 H 1 7.117 0.030 . 1 . . . . 73 HIS HD2 . 10299 1 764 . 1 1 73 73 HIS C C 13 176.847 0.300 . 1 . . . . 73 HIS C . 10299 1 765 . 1 1 73 73 HIS CA C 13 55.217 0.300 . 1 . . . . 73 HIS CA . 10299 1 766 . 1 1 73 73 HIS CB C 13 30.517 0.300 . 1 . . . . 73 HIS CB . 10299 1 767 . 1 1 73 73 HIS CD2 C 13 119.669 0.300 . 1 . . . . 73 HIS CD2 . 10299 1 768 . 1 1 73 73 HIS N N 15 120.694 0.300 . 1 . . . . 73 HIS N . 10299 1 769 . 1 1 74 74 PHE H H 1 8.596 0.030 . 1 . . . . 74 PHE H . 10299 1 770 . 1 1 74 74 PHE HA H 1 4.505 0.030 . 1 . . . . 74 PHE HA . 10299 1 771 . 1 1 74 74 PHE HB2 H 1 3.305 0.030 . 2 . . . . 74 PHE HB2 . 10299 1 772 . 1 1 74 74 PHE HB3 H 1 2.907 0.030 . 2 . . . . 74 PHE HB3 . 10299 1 773 . 1 1 74 74 PHE HD1 H 1 7.337 0.030 . 1 . . . . 74 PHE HD1 . 10299 1 774 . 1 1 74 74 PHE HD2 H 1 7.337 0.030 . 1 . . . . 74 PHE HD2 . 10299 1 775 . 1 1 74 74 PHE HE1 H 1 7.282 0.030 . 1 . . . . 74 PHE HE1 . 10299 1 776 . 1 1 74 74 PHE HE2 H 1 7.282 0.030 . 1 . . . . 74 PHE HE2 . 10299 1 777 . 1 1 74 74 PHE C C 13 176.575 0.300 . 1 . . . . 74 PHE C . 10299 1 778 . 1 1 74 74 PHE CA C 13 58.779 0.300 . 1 . . . . 74 PHE CA . 10299 1 779 . 1 1 74 74 PHE CB C 13 39.540 0.300 . 1 . . . . 74 PHE CB . 10299 1 780 . 1 1 74 74 PHE CD1 C 13 131.706 0.300 . 1 . . . . 74 PHE CD1 . 10299 1 781 . 1 1 74 74 PHE CD2 C 13 131.706 0.300 . 1 . . . . 74 PHE CD2 . 10299 1 782 . 1 1 74 74 PHE CE1 C 13 129.980 0.300 . 1 . . . . 74 PHE CE1 . 10299 1 783 . 1 1 74 74 PHE CE2 C 13 129.980 0.300 . 1 . . . . 74 PHE CE2 . 10299 1 784 . 1 1 74 74 PHE N N 15 121.672 0.300 . 1 . . . . 74 PHE N . 10299 1 785 . 1 1 75 75 ASN H H 1 8.676 0.030 . 1 . . . . 75 ASN H . 10299 1 786 . 1 1 75 75 ASN HA H 1 4.378 0.030 . 1 . . . . 75 ASN HA . 10299 1 787 . 1 1 75 75 ASN HB2 H 1 3.020 0.030 . 2 . . . . 75 ASN HB2 . 10299 1 788 . 1 1 75 75 ASN HB3 H 1 2.579 0.030 . 2 . . . . 75 ASN HB3 . 10299 1 789 . 1 1 75 75 ASN HD21 H 1 7.587 0.030 . 2 . . . . 75 ASN HD21 . 10299 1 790 . 1 1 75 75 ASN HD22 H 1 6.930 0.030 . 2 . . . . 75 ASN HD22 . 10299 1 791 . 1 1 75 75 ASN C C 13 174.394 0.300 . 1 . . . . 75 ASN C . 10299 1 792 . 1 1 75 75 ASN CA C 13 54.194 0.300 . 1 . . . . 75 ASN CA . 10299 1 793 . 1 1 75 75 ASN CB C 13 37.997 0.300 . 1 . . . . 75 ASN CB . 10299 1 794 . 1 1 75 75 ASN N N 15 120.740 0.300 . 1 . . . . 75 ASN N . 10299 1 795 . 1 1 75 75 ASN ND2 N 15 112.609 0.300 . 1 . . . . 75 ASN ND2 . 10299 1 796 . 1 1 76 76 SER H H 1 8.117 0.030 . 1 . . . . 76 SER H . 10299 1 797 . 1 1 76 76 SER HA H 1 4.946 0.030 . 1 . . . . 76 SER HA . 10299 1 798 . 1 1 76 76 SER HB2 H 1 3.620 0.030 . 2 . . . . 76 SER HB2 . 10299 1 799 . 1 1 76 76 SER HB3 H 1 3.542 0.030 . 2 . . . . 76 SER HB3 . 10299 1 800 . 1 1 76 76 SER C C 13 171.531 0.300 . 1 . . . . 76 SER C . 10299 1 801 . 1 1 76 76 SER CA C 13 58.497 0.300 . 1 . . . . 76 SER CA . 10299 1 802 . 1 1 76 76 SER CB C 13 67.354 0.300 . 1 . . . . 76 SER CB . 10299 1 803 . 1 1 76 76 SER N N 15 112.487 0.300 . 1 . . . . 76 SER N . 10299 1 804 . 1 1 77 77 THR H H 1 8.424 0.030 . 1 . . . . 77 THR H . 10299 1 805 . 1 1 77 77 THR HA H 1 4.858 0.030 . 1 . . . . 77 THR HA . 10299 1 806 . 1 1 77 77 THR HB H 1 3.810 0.030 . 1 . . . . 77 THR HB . 10299 1 807 . 1 1 77 77 THR HG21 H 1 1.027 0.030 . 1 . . . . 77 THR HG2 . 10299 1 808 . 1 1 77 77 THR HG22 H 1 1.027 0.030 . 1 . . . . 77 THR HG2 . 10299 1 809 . 1 1 77 77 THR HG23 H 1 1.027 0.030 . 1 . . . . 77 THR HG2 . 10299 1 810 . 1 1 77 77 THR C C 13 173.243 0.300 . 1 . . . . 77 THR C . 10299 1 811 . 1 1 77 77 THR CA C 13 61.900 0.300 . 1 . . . . 77 THR CA . 10299 1 812 . 1 1 77 77 THR CB C 13 69.955 0.300 . 1 . . . . 77 THR CB . 10299 1 813 . 1 1 77 77 THR CG2 C 13 22.367 0.300 . 1 . . . . 77 THR CG2 . 10299 1 814 . 1 1 77 77 THR N N 15 120.085 0.300 . 1 . . . . 77 THR N . 10299 1 815 . 1 1 78 78 TYR H H 1 9.315 0.030 . 1 . . . . 78 TYR H . 10299 1 816 . 1 1 78 78 TYR HA H 1 4.835 0.030 . 1 . . . . 78 TYR HA . 10299 1 817 . 1 1 78 78 TYR HB2 H 1 2.749 0.030 . 1 . . . . 78 TYR HB2 . 10299 1 818 . 1 1 78 78 TYR HB3 H 1 2.749 0.030 . 1 . . . . 78 TYR HB3 . 10299 1 819 . 1 1 78 78 TYR HD1 H 1 7.003 0.030 . 1 . . . . 78 TYR HD1 . 10299 1 820 . 1 1 78 78 TYR HD2 H 1 7.003 0.030 . 1 . . . . 78 TYR HD2 . 10299 1 821 . 1 1 78 78 TYR HE1 H 1 6.742 0.030 . 1 . . . . 78 TYR HE1 . 10299 1 822 . 1 1 78 78 TYR HE2 H 1 6.742 0.030 . 1 . . . . 78 TYR HE2 . 10299 1 823 . 1 1 78 78 TYR C C 13 174.399 0.300 . 1 . . . . 78 TYR C . 10299 1 824 . 1 1 78 78 TYR CA C 13 57.104 0.300 . 1 . . . . 78 TYR CA . 10299 1 825 . 1 1 78 78 TYR CB C 13 42.178 0.300 . 1 . . . . 78 TYR CB . 10299 1 826 . 1 1 78 78 TYR CD1 C 13 133.423 0.300 . 1 . . . . 78 TYR CD1 . 10299 1 827 . 1 1 78 78 TYR CD2 C 13 133.423 0.300 . 1 . . . . 78 TYR CD2 . 10299 1 828 . 1 1 78 78 TYR CE1 C 13 118.124 0.300 . 1 . . . . 78 TYR CE1 . 10299 1 829 . 1 1 78 78 TYR CE2 C 13 118.124 0.300 . 1 . . . . 78 TYR CE2 . 10299 1 830 . 1 1 78 78 TYR N N 15 125.246 0.300 . 1 . . . . 78 TYR N . 10299 1 831 . 1 1 79 79 ASN H H 1 8.580 0.030 . 1 . . . . 79 ASN H . 10299 1 832 . 1 1 79 79 ASN HA H 1 5.635 0.030 . 1 . . . . 79 ASN HA . 10299 1 833 . 1 1 79 79 ASN HB2 H 1 2.354 0.030 . 2 . . . . 79 ASN HB2 . 10299 1 834 . 1 1 79 79 ASN HB3 H 1 2.248 0.030 . 2 . . . . 79 ASN HB3 . 10299 1 835 . 1 1 79 79 ASN HD21 H 1 7.431 0.030 . 2 . . . . 79 ASN HD21 . 10299 1 836 . 1 1 79 79 ASN HD22 H 1 6.774 0.030 . 2 . . . . 79 ASN HD22 . 10299 1 837 . 1 1 79 79 ASN C C 13 173.405 0.300 . 1 . . . . 79 ASN C . 10299 1 838 . 1 1 79 79 ASN CA C 13 52.046 0.300 . 1 . . . . 79 ASN CA . 10299 1 839 . 1 1 79 79 ASN CB C 13 42.482 0.300 . 1 . . . . 79 ASN CB . 10299 1 840 . 1 1 79 79 ASN N N 15 118.612 0.300 . 1 . . . . 79 ASN N . 10299 1 841 . 1 1 79 79 ASN ND2 N 15 112.173 0.300 . 1 . . . . 79 ASN ND2 . 10299 1 842 . 1 1 80 80 ALA H H 1 9.242 0.030 . 1 . . . . 80 ALA H . 10299 1 843 . 1 1 80 80 ALA HA H 1 5.822 0.030 . 1 . . . . 80 ALA HA . 10299 1 844 . 1 1 80 80 ALA HB1 H 1 1.333 0.030 . 1 . . . . 80 ALA HB . 10299 1 845 . 1 1 80 80 ALA HB2 H 1 1.333 0.030 . 1 . . . . 80 ALA HB . 10299 1 846 . 1 1 80 80 ALA HB3 H 1 1.333 0.030 . 1 . . . . 80 ALA HB . 10299 1 847 . 1 1 80 80 ALA C C 13 174.982 0.300 . 1 . . . . 80 ALA C . 10299 1 848 . 1 1 80 80 ALA CA C 13 49.857 0.300 . 1 . . . . 80 ALA CA . 10299 1 849 . 1 1 80 80 ALA CB C 13 24.111 0.300 . 1 . . . . 80 ALA CB . 10299 1 850 . 1 1 80 80 ALA N N 15 123.021 0.300 . 1 . . . . 80 ALA N . 10299 1 851 . 1 1 81 81 ARG H H 1 8.782 0.030 . 1 . . . . 81 ARG H . 10299 1 852 . 1 1 81 81 ARG HA H 1 4.425 0.030 . 1 . . . . 81 ARG HA . 10299 1 853 . 1 1 81 81 ARG HB2 H 1 1.558 0.030 . 2 . . . . 81 ARG HB2 . 10299 1 854 . 1 1 81 81 ARG HB3 H 1 1.378 0.030 . 2 . . . . 81 ARG HB3 . 10299 1 855 . 1 1 81 81 ARG HD2 H 1 1.357 0.030 . 1 . . . . 81 ARG HD2 . 10299 1 856 . 1 1 81 81 ARG HD3 H 1 1.357 0.030 . 1 . . . . 81 ARG HD3 . 10299 1 857 . 1 1 81 81 ARG HE H 1 6.131 0.030 . 1 . . . . 81 ARG HE . 10299 1 858 . 1 1 81 81 ARG HG2 H 1 0.796 0.030 . 2 . . . . 81 ARG HG2 . 10299 1 859 . 1 1 81 81 ARG HG3 H 1 0.569 0.030 . 2 . . . . 81 ARG HG3 . 10299 1 860 . 1 1 81 81 ARG C C 13 171.679 0.300 . 1 . . . . 81 ARG C . 10299 1 861 . 1 1 81 81 ARG CA C 13 55.411 0.300 . 1 . . . . 81 ARG CA . 10299 1 862 . 1 1 81 81 ARG CB C 13 32.328 0.300 . 1 . . . . 81 ARG CB . 10299 1 863 . 1 1 81 81 ARG CD C 13 42.579 0.300 . 1 . . . . 81 ARG CD . 10299 1 864 . 1 1 81 81 ARG CG C 13 24.635 0.300 . 1 . . . . 81 ARG CG . 10299 1 865 . 1 1 81 81 ARG N N 15 114.168 0.300 . 1 . . . . 81 ARG N . 10299 1 866 . 1 1 81 81 ARG NE N 15 118.933 0.300 . 1 . . . . 81 ARG NE . 10299 1 867 . 1 1 82 82 VAL H H 1 8.584 0.030 . 1 . . . . 82 VAL H . 10299 1 868 . 1 1 82 82 VAL HA H 1 5.693 0.030 . 1 . . . . 82 VAL HA . 10299 1 869 . 1 1 82 82 VAL HB H 1 1.377 0.030 . 1 . . . . 82 VAL HB . 10299 1 870 . 1 1 82 82 VAL HG11 H 1 0.548 0.030 . 1 . . . . 82 VAL HG1 . 10299 1 871 . 1 1 82 82 VAL HG12 H 1 0.548 0.030 . 1 . . . . 82 VAL HG1 . 10299 1 872 . 1 1 82 82 VAL HG13 H 1 0.548 0.030 . 1 . . . . 82 VAL HG1 . 10299 1 873 . 1 1 82 82 VAL HG21 H 1 -0.045 0.030 . 1 . . . . 82 VAL HG2 . 10299 1 874 . 1 1 82 82 VAL HG22 H 1 -0.045 0.030 . 1 . . . . 82 VAL HG2 . 10299 1 875 . 1 1 82 82 VAL HG23 H 1 -0.045 0.030 . 1 . . . . 82 VAL HG2 . 10299 1 876 . 1 1 82 82 VAL C C 13 171.965 0.300 . 1 . . . . 82 VAL C . 10299 1 877 . 1 1 82 82 VAL CA C 13 58.056 0.300 . 1 . . . . 82 VAL CA . 10299 1 878 . 1 1 82 82 VAL CB C 13 36.513 0.300 . 1 . . . . 82 VAL CB . 10299 1 879 . 1 1 82 82 VAL CG1 C 13 20.325 0.300 . 2 . . . . 82 VAL CG1 . 10299 1 880 . 1 1 82 82 VAL CG2 C 13 20.728 0.300 . 2 . . . . 82 VAL CG2 . 10299 1 881 . 1 1 82 82 VAL N N 15 120.547 0.300 . 1 . . . . 82 VAL N . 10299 1 882 . 1 1 83 83 LYS H H 1 8.649 0.030 . 1 . . . . 83 LYS H . 10299 1 883 . 1 1 83 83 LYS HA H 1 4.659 0.030 . 1 . . . . 83 LYS HA . 10299 1 884 . 1 1 83 83 LYS HB2 H 1 1.663 0.030 . 2 . . . . 83 LYS HB2 . 10299 1 885 . 1 1 83 83 LYS HB3 H 1 0.907 0.030 . 2 . . . . 83 LYS HB3 . 10299 1 886 . 1 1 83 83 LYS HD2 H 1 1.241 0.030 . 2 . . . . 83 LYS HD2 . 10299 1 887 . 1 1 83 83 LYS HD3 H 1 0.449 0.030 . 2 . . . . 83 LYS HD3 . 10299 1 888 . 1 1 83 83 LYS HE2 H 1 2.669 0.030 . 2 . . . . 83 LYS HE2 . 10299 1 889 . 1 1 83 83 LYS HE3 H 1 2.620 0.030 . 2 . . . . 83 LYS HE3 . 10299 1 890 . 1 1 83 83 LYS HG2 H 1 1.132 0.030 . 2 . . . . 83 LYS HG2 . 10299 1 891 . 1 1 83 83 LYS HG3 H 1 0.963 0.030 . 2 . . . . 83 LYS HG3 . 10299 1 892 . 1 1 83 83 LYS C C 13 172.791 0.300 . 1 . . . . 83 LYS C . 10299 1 893 . 1 1 83 83 LYS CA C 13 54.353 0.300 . 1 . . . . 83 LYS CA . 10299 1 894 . 1 1 83 83 LYS CB C 13 35.667 0.300 . 1 . . . . 83 LYS CB . 10299 1 895 . 1 1 83 83 LYS CD C 13 29.279 0.300 . 1 . . . . 83 LYS CD . 10299 1 896 . 1 1 83 83 LYS CE C 13 42.397 0.300 . 1 . . . . 83 LYS CE . 10299 1 897 . 1 1 83 83 LYS CG C 13 23.917 0.300 . 1 . . . . 83 LYS CG . 10299 1 898 . 1 1 83 83 LYS N N 15 123.017 0.300 . 1 . . . . 83 LYS N . 10299 1 899 . 1 1 84 84 ALA H H 1 8.734 0.030 . 1 . . . . 84 ALA H . 10299 1 900 . 1 1 84 84 ALA HA H 1 5.006 0.030 . 1 . . . . 84 ALA HA . 10299 1 901 . 1 1 84 84 ALA HB1 H 1 1.250 0.030 . 1 . . . . 84 ALA HB . 10299 1 902 . 1 1 84 84 ALA HB2 H 1 1.250 0.030 . 1 . . . . 84 ALA HB . 10299 1 903 . 1 1 84 84 ALA HB3 H 1 1.250 0.030 . 1 . . . . 84 ALA HB . 10299 1 904 . 1 1 84 84 ALA C C 13 175.965 0.300 . 1 . . . . 84 ALA C . 10299 1 905 . 1 1 84 84 ALA CA C 13 49.708 0.300 . 1 . . . . 84 ALA CA . 10299 1 906 . 1 1 84 84 ALA CB C 13 23.726 0.300 . 1 . . . . 84 ALA CB . 10299 1 907 . 1 1 84 84 ALA N N 15 124.079 0.300 . 1 . . . . 84 ALA N . 10299 1 908 . 1 1 85 85 PHE H H 1 8.113 0.030 . 1 . . . . 85 PHE H . 10299 1 909 . 1 1 85 85 PHE HA H 1 5.571 0.030 . 1 . . . . 85 PHE HA . 10299 1 910 . 1 1 85 85 PHE HB2 H 1 3.163 0.030 . 2 . . . . 85 PHE HB2 . 10299 1 911 . 1 1 85 85 PHE HB3 H 1 2.691 0.030 . 2 . . . . 85 PHE HB3 . 10299 1 912 . 1 1 85 85 PHE HD1 H 1 6.657 0.030 . 1 . . . . 85 PHE HD1 . 10299 1 913 . 1 1 85 85 PHE HD2 H 1 6.657 0.030 . 1 . . . . 85 PHE HD2 . 10299 1 914 . 1 1 85 85 PHE HE1 H 1 7.056 0.030 . 1 . . . . 85 PHE HE1 . 10299 1 915 . 1 1 85 85 PHE HE2 H 1 7.056 0.030 . 1 . . . . 85 PHE HE2 . 10299 1 916 . 1 1 85 85 PHE HZ H 1 7.042 0.030 . 1 . . . . 85 PHE HZ . 10299 1 917 . 1 1 85 85 PHE C C 13 174.079 0.300 . 1 . . . . 85 PHE C . 10299 1 918 . 1 1 85 85 PHE CA C 13 55.569 0.300 . 1 . . . . 85 PHE CA . 10299 1 919 . 1 1 85 85 PHE CB C 13 43.615 0.300 . 1 . . . . 85 PHE CB . 10299 1 920 . 1 1 85 85 PHE CD1 C 13 132.304 0.300 . 1 . . . . 85 PHE CD1 . 10299 1 921 . 1 1 85 85 PHE CD2 C 13 132.304 0.300 . 1 . . . . 85 PHE CD2 . 10299 1 922 . 1 1 85 85 PHE CE1 C 13 130.778 0.300 . 1 . . . . 85 PHE CE1 . 10299 1 923 . 1 1 85 85 PHE CE2 C 13 130.778 0.300 . 1 . . . . 85 PHE CE2 . 10299 1 924 . 1 1 85 85 PHE CZ C 13 129.539 0.300 . 1 . . . . 85 PHE CZ . 10299 1 925 . 1 1 85 85 PHE N N 15 113.969 0.300 . 1 . . . . 85 PHE N . 10299 1 926 . 1 1 86 86 ASN H H 1 9.140 0.030 . 1 . . . . 86 ASN H . 10299 1 927 . 1 1 86 86 ASN HA H 1 4.692 0.030 . 1 . . . . 86 ASN HA . 10299 1 928 . 1 1 86 86 ASN HB2 H 1 3.484 0.030 . 2 . . . . 86 ASN HB2 . 10299 1 929 . 1 1 86 86 ASN HB3 H 1 2.872 0.030 . 2 . . . . 86 ASN HB3 . 10299 1 930 . 1 1 86 86 ASN HD21 H 1 7.477 0.030 . 2 . . . . 86 ASN HD21 . 10299 1 931 . 1 1 86 86 ASN HD22 H 1 7.197 0.030 . 2 . . . . 86 ASN HD22 . 10299 1 932 . 1 1 86 86 ASN C C 13 175.197 0.300 . 1 . . . . 86 ASN C . 10299 1 933 . 1 1 86 86 ASN CA C 13 52.275 0.300 . 1 . . . . 86 ASN CA . 10299 1 934 . 1 1 86 86 ASN CB C 13 39.064 0.300 . 1 . . . . 86 ASN CB . 10299 1 935 . 1 1 86 86 ASN N N 15 121.333 0.300 . 1 . . . . 86 ASN N . 10299 1 936 . 1 1 86 86 ASN ND2 N 15 109.193 0.300 . 1 . . . . 86 ASN ND2 . 10299 1 937 . 1 1 87 87 LYS H H 1 8.098 0.030 . 1 . . . . 87 LYS H . 10299 1 938 . 1 1 87 87 LYS HA H 1 4.099 0.030 . 1 . . . . 87 LYS HA . 10299 1 939 . 1 1 87 87 LYS HB2 H 1 1.859 0.030 . 1 . . . . 87 LYS HB2 . 10299 1 940 . 1 1 87 87 LYS HB3 H 1 1.859 0.030 . 1 . . . . 87 LYS HB3 . 10299 1 941 . 1 1 87 87 LYS HD2 H 1 1.716 0.030 . 2 . . . . 87 LYS HD2 . 10299 1 942 . 1 1 87 87 LYS HD3 H 1 1.670 0.030 . 2 . . . . 87 LYS HD3 . 10299 1 943 . 1 1 87 87 LYS HE2 H 1 2.994 0.030 . 1 . . . . 87 LYS HE2 . 10299 1 944 . 1 1 87 87 LYS HE3 H 1 2.994 0.030 . 1 . . . . 87 LYS HE3 . 10299 1 945 . 1 1 87 87 LYS HG2 H 1 1.601 0.030 . 2 . . . . 87 LYS HG2 . 10299 1 946 . 1 1 87 87 LYS HG3 H 1 1.479 0.030 . 2 . . . . 87 LYS HG3 . 10299 1 947 . 1 1 87 87 LYS C C 13 177.853 0.300 . 1 . . . . 87 LYS C . 10299 1 948 . 1 1 87 87 LYS CA C 13 59.184 0.300 . 1 . . . . 87 LYS CA . 10299 1 949 . 1 1 87 87 LYS CB C 13 32.328 0.300 . 1 . . . . 87 LYS CB . 10299 1 950 . 1 1 87 87 LYS CD C 13 28.949 0.300 . 1 . . . . 87 LYS CD . 10299 1 951 . 1 1 87 87 LYS CE C 13 42.034 0.300 . 1 . . . . 87 LYS CE . 10299 1 952 . 1 1 87 87 LYS CG C 13 25.153 0.300 . 1 . . . . 87 LYS CG . 10299 1 953 . 1 1 87 87 LYS N N 15 116.096 0.300 . 1 . . . . 87 LYS N . 10299 1 954 . 1 1 88 88 THR H H 1 7.759 0.030 . 1 . . . . 88 THR H . 10299 1 955 . 1 1 88 88 THR HA H 1 4.063 0.030 . 1 . . . . 88 THR HA . 10299 1 956 . 1 1 88 88 THR HB H 1 4.091 0.030 . 1 . . . . 88 THR HB . 10299 1 957 . 1 1 88 88 THR HG21 H 1 1.097 0.030 . 1 . . . . 88 THR HG2 . 10299 1 958 . 1 1 88 88 THR HG22 H 1 1.097 0.030 . 1 . . . . 88 THR HG2 . 10299 1 959 . 1 1 88 88 THR HG23 H 1 1.097 0.030 . 1 . . . . 88 THR HG2 . 10299 1 960 . 1 1 88 88 THR C C 13 174.590 0.300 . 1 . . . . 88 THR C . 10299 1 961 . 1 1 88 88 THR CA C 13 64.123 0.300 . 1 . . . . 88 THR CA . 10299 1 962 . 1 1 88 88 THR CB C 13 68.925 0.300 . 1 . . . . 88 THR CB . 10299 1 963 . 1 1 88 88 THR CG2 C 13 22.356 0.300 . 1 . . . . 88 THR CG2 . 10299 1 964 . 1 1 88 88 THR N N 15 113.708 0.300 . 1 . . . . 88 THR N . 10299 1 965 . 1 1 89 89 GLY H H 1 7.807 0.030 . 1 . . . . 89 GLY H . 10299 1 966 . 1 1 89 89 GLY HA2 H 1 4.170 0.030 . 2 . . . . 89 GLY HA2 . 10299 1 967 . 1 1 89 89 GLY HA3 H 1 4.016 0.030 . 2 . . . . 89 GLY HA3 . 10299 1 968 . 1 1 89 89 GLY C C 13 170.722 0.300 . 1 . . . . 89 GLY C . 10299 1 969 . 1 1 89 89 GLY CA C 13 45.995 0.300 . 1 . . . . 89 GLY CA . 10299 1 970 . 1 1 89 89 GLY N N 15 109.082 0.300 . 1 . . . . 89 GLY N . 10299 1 971 . 1 1 90 90 VAL H H 1 8.078 0.030 . 1 . . . . 90 VAL H . 10299 1 972 . 1 1 90 90 VAL HA H 1 5.026 0.030 . 1 . . . . 90 VAL HA . 10299 1 973 . 1 1 90 90 VAL HB H 1 1.997 0.030 . 1 . . . . 90 VAL HB . 10299 1 974 . 1 1 90 90 VAL HG11 H 1 0.905 0.030 . 1 . . . . 90 VAL HG1 . 10299 1 975 . 1 1 90 90 VAL HG12 H 1 0.905 0.030 . 1 . . . . 90 VAL HG1 . 10299 1 976 . 1 1 90 90 VAL HG13 H 1 0.905 0.030 . 1 . . . . 90 VAL HG1 . 10299 1 977 . 1 1 90 90 VAL HG21 H 1 0.796 0.030 . 1 . . . . 90 VAL HG2 . 10299 1 978 . 1 1 90 90 VAL HG22 H 1 0.796 0.030 . 1 . . . . 90 VAL HG2 . 10299 1 979 . 1 1 90 90 VAL HG23 H 1 0.796 0.030 . 1 . . . . 90 VAL HG2 . 10299 1 980 . 1 1 90 90 VAL C C 13 175.456 0.300 . 1 . . . . 90 VAL C . 10299 1 981 . 1 1 90 90 VAL CA C 13 59.076 0.300 . 1 . . . . 90 VAL CA . 10299 1 982 . 1 1 90 90 VAL CB C 13 34.513 0.300 . 1 . . . . 90 VAL CB . 10299 1 983 . 1 1 90 90 VAL CG1 C 13 21.449 0.300 . 2 . . . . 90 VAL CG1 . 10299 1 984 . 1 1 90 90 VAL CG2 C 13 19.796 0.300 . 2 . . . . 90 VAL CG2 . 10299 1 985 . 1 1 90 90 VAL N N 15 114.873 0.300 . 1 . . . . 90 VAL N . 10299 1 986 . 1 1 91 91 SER H H 1 9.164 0.030 . 1 . . . . 91 SER H . 10299 1 987 . 1 1 91 91 SER HA H 1 4.461 0.030 . 1 . . . . 91 SER HA . 10299 1 988 . 1 1 91 91 SER HB2 H 1 4.187 0.030 . 2 . . . . 91 SER HB2 . 10299 1 989 . 1 1 91 91 SER HB3 H 1 3.447 0.030 . 2 . . . . 91 SER HB3 . 10299 1 990 . 1 1 91 91 SER C C 13 171.989 0.300 . 1 . . . . 91 SER C . 10299 1 991 . 1 1 91 91 SER CA C 13 57.604 0.300 . 1 . . . . 91 SER CA . 10299 1 992 . 1 1 91 91 SER CB C 13 64.406 0.300 . 1 . . . . 91 SER CB . 10299 1 993 . 1 1 91 91 SER N N 15 120.812 0.300 . 1 . . . . 91 SER N . 10299 1 994 . 1 1 92 92 PRO HA H 1 4.450 0.030 . 1 . . . . 92 PRO HA . 10299 1 995 . 1 1 92 92 PRO HB2 H 1 2.430 0.030 . 2 . . . . 92 PRO HB2 . 10299 1 996 . 1 1 92 92 PRO HB3 H 1 1.861 0.030 . 2 . . . . 92 PRO HB3 . 10299 1 997 . 1 1 92 92 PRO HD2 H 1 3.747 0.030 . 2 . . . . 92 PRO HD2 . 10299 1 998 . 1 1 92 92 PRO HD3 H 1 3.584 0.030 . 2 . . . . 92 PRO HD3 . 10299 1 999 . 1 1 92 92 PRO HG2 H 1 1.982 0.030 . 2 . . . . 92 PRO HG2 . 10299 1 1000 . 1 1 92 92 PRO HG3 H 1 1.877 0.030 . 2 . . . . 92 PRO HG3 . 10299 1 1001 . 1 1 92 92 PRO C C 13 177.710 0.300 . 1 . . . . 92 PRO C . 10299 1 1002 . 1 1 92 92 PRO CA C 13 62.470 0.300 . 1 . . . . 92 PRO CA . 10299 1 1003 . 1 1 92 92 PRO CB C 13 31.647 0.300 . 1 . . . . 92 PRO CB . 10299 1 1004 . 1 1 92 92 PRO CD C 13 50.460 0.300 . 1 . . . . 92 PRO CD . 10299 1 1005 . 1 1 92 92 PRO CG C 13 28.316 0.300 . 1 . . . . 92 PRO CG . 10299 1 1006 . 1 1 93 93 TYR H H 1 8.315 0.030 . 1 . . . . 93 TYR H . 10299 1 1007 . 1 1 93 93 TYR HA H 1 4.345 0.030 . 1 . . . . 93 TYR HA . 10299 1 1008 . 1 1 93 93 TYR HB2 H 1 2.980 0.030 . 2 . . . . 93 TYR HB2 . 10299 1 1009 . 1 1 93 93 TYR HB3 H 1 2.584 0.030 . 2 . . . . 93 TYR HB3 . 10299 1 1010 . 1 1 93 93 TYR HD1 H 1 6.764 0.030 . 1 . . . . 93 TYR HD1 . 10299 1 1011 . 1 1 93 93 TYR HD2 H 1 6.764 0.030 . 1 . . . . 93 TYR HD2 . 10299 1 1012 . 1 1 93 93 TYR HE1 H 1 6.490 0.030 . 1 . . . . 93 TYR HE1 . 10299 1 1013 . 1 1 93 93 TYR HE2 H 1 6.490 0.030 . 1 . . . . 93 TYR HE2 . 10299 1 1014 . 1 1 93 93 TYR C C 13 177.143 0.300 . 1 . . . . 93 TYR C . 10299 1 1015 . 1 1 93 93 TYR CA C 13 60.471 0.300 . 1 . . . . 93 TYR CA . 10299 1 1016 . 1 1 93 93 TYR CB C 13 39.746 0.300 . 1 . . . . 93 TYR CB . 10299 1 1017 . 1 1 93 93 TYR CD1 C 13 132.568 0.300 . 1 . . . . 93 TYR CD1 . 10299 1 1018 . 1 1 93 93 TYR CD2 C 13 132.568 0.300 . 1 . . . . 93 TYR CD2 . 10299 1 1019 . 1 1 93 93 TYR CE1 C 13 119.089 0.300 . 1 . . . . 93 TYR CE1 . 10299 1 1020 . 1 1 93 93 TYR CE2 C 13 119.089 0.300 . 1 . . . . 93 TYR CE2 . 10299 1 1021 . 1 1 93 93 TYR N N 15 119.579 0.300 . 1 . . . . 93 TYR N . 10299 1 1022 . 1 1 94 94 SER H H 1 9.122 0.030 . 1 . . . . 94 SER H . 10299 1 1023 . 1 1 94 94 SER HA H 1 4.274 0.030 . 1 . . . . 94 SER HA . 10299 1 1024 . 1 1 94 94 SER HB2 H 1 4.290 0.030 . 2 . . . . 94 SER HB2 . 10299 1 1025 . 1 1 94 94 SER HB3 H 1 3.827 0.030 . 2 . . . . 94 SER HB3 . 10299 1 1026 . 1 1 94 94 SER C C 13 173.599 0.300 . 1 . . . . 94 SER C . 10299 1 1027 . 1 1 94 94 SER CA C 13 58.003 0.300 . 1 . . . . 94 SER CA . 10299 1 1028 . 1 1 94 94 SER CB C 13 66.536 0.300 . 1 . . . . 94 SER CB . 10299 1 1029 . 1 1 94 94 SER N N 15 113.605 0.300 . 1 . . . . 94 SER N . 10299 1 1030 . 1 1 95 95 LYS H H 1 8.372 0.030 . 1 . . . . 95 LYS H . 10299 1 1031 . 1 1 95 95 LYS HA H 1 4.215 0.030 . 1 . . . . 95 LYS HA . 10299 1 1032 . 1 1 95 95 LYS HB2 H 1 1.872 0.030 . 2 . . . . 95 LYS HB2 . 10299 1 1033 . 1 1 95 95 LYS HB3 H 1 1.826 0.030 . 2 . . . . 95 LYS HB3 . 10299 1 1034 . 1 1 95 95 LYS HD2 H 1 1.792 0.030 . 1 . . . . 95 LYS HD2 . 10299 1 1035 . 1 1 95 95 LYS HD3 H 1 1.792 0.030 . 1 . . . . 95 LYS HD3 . 10299 1 1036 . 1 1 95 95 LYS HE2 H 1 3.097 0.030 . 1 . . . . 95 LYS HE2 . 10299 1 1037 . 1 1 95 95 LYS HE3 H 1 3.097 0.030 . 1 . . . . 95 LYS HE3 . 10299 1 1038 . 1 1 95 95 LYS HG2 H 1 1.620 0.030 . 1 . . . . 95 LYS HG2 . 10299 1 1039 . 1 1 95 95 LYS HG3 H 1 1.620 0.030 . 1 . . . . 95 LYS HG3 . 10299 1 1040 . 1 1 95 95 LYS C C 13 178.328 0.300 . 1 . . . . 95 LYS C . 10299 1 1041 . 1 1 95 95 LYS CA C 13 57.774 0.300 . 1 . . . . 95 LYS CA . 10299 1 1042 . 1 1 95 95 LYS CB C 13 32.640 0.300 . 1 . . . . 95 LYS CB . 10299 1 1043 . 1 1 95 95 LYS CD C 13 29.423 0.300 . 1 . . . . 95 LYS CD . 10299 1 1044 . 1 1 95 95 LYS CE C 13 42.237 0.300 . 1 . . . . 95 LYS CE . 10299 1 1045 . 1 1 95 95 LYS CG C 13 25.158 0.300 . 1 . . . . 95 LYS CG . 10299 1 1046 . 1 1 95 95 LYS N N 15 119.785 0.300 . 1 . . . . 95 LYS N . 10299 1 1047 . 1 1 96 96 THR H H 1 8.758 0.030 . 1 . . . . 96 THR H . 10299 1 1048 . 1 1 96 96 THR HA H 1 4.425 0.030 . 1 . . . . 96 THR HA . 10299 1 1049 . 1 1 96 96 THR HB H 1 4.046 0.030 . 1 . . . . 96 THR HB . 10299 1 1050 . 1 1 96 96 THR HG21 H 1 1.248 0.030 . 1 . . . . 96 THR HG2 . 10299 1 1051 . 1 1 96 96 THR HG22 H 1 1.248 0.030 . 1 . . . . 96 THR HG2 . 10299 1 1052 . 1 1 96 96 THR HG23 H 1 1.248 0.030 . 1 . . . . 96 THR HG2 . 10299 1 1053 . 1 1 96 96 THR CA C 13 63.223 0.300 . 1 . . . . 96 THR CA . 10299 1 1054 . 1 1 96 96 THR CB C 13 69.271 0.300 . 1 . . . . 96 THR CB . 10299 1 1055 . 1 1 96 96 THR CG2 C 13 23.739 0.300 . 1 . . . . 96 THR CG2 . 10299 1 1056 . 1 1 96 96 THR N N 15 124.075 0.300 . 1 . . . . 96 THR N . 10299 1 1057 . 1 1 97 97 LEU H H 1 9.301 0.030 . 1 . . . . 97 LEU H . 10299 1 1058 . 1 1 97 97 LEU HA H 1 4.625 0.030 . 1 . . . . 97 LEU HA . 10299 1 1059 . 1 1 97 97 LEU HB2 H 1 1.636 0.030 . 2 . . . . 97 LEU HB2 . 10299 1 1060 . 1 1 97 97 LEU HB3 H 1 1.424 0.030 . 2 . . . . 97 LEU HB3 . 10299 1 1061 . 1 1 97 97 LEU HD11 H 1 0.780 0.030 . 1 . . . . 97 LEU HD1 . 10299 1 1062 . 1 1 97 97 LEU HD12 H 1 0.780 0.030 . 1 . . . . 97 LEU HD1 . 10299 1 1063 . 1 1 97 97 LEU HD13 H 1 0.780 0.030 . 1 . . . . 97 LEU HD1 . 10299 1 1064 . 1 1 97 97 LEU HD21 H 1 0.972 0.030 . 1 . . . . 97 LEU HD2 . 10299 1 1065 . 1 1 97 97 LEU HD22 H 1 0.972 0.030 . 1 . . . . 97 LEU HD2 . 10299 1 1066 . 1 1 97 97 LEU HD23 H 1 0.972 0.030 . 1 . . . . 97 LEU HD2 . 10299 1 1067 . 1 1 97 97 LEU HG H 1 1.480 0.030 . 1 . . . . 97 LEU HG . 10299 1 1068 . 1 1 97 97 LEU C C 13 174.374 0.300 . 1 . . . . 97 LEU C . 10299 1 1069 . 1 1 97 97 LEU CA C 13 53.789 0.300 . 1 . . . . 97 LEU CA . 10299 1 1070 . 1 1 97 97 LEU CB C 13 45.281 0.300 . 1 . . . . 97 LEU CB . 10299 1 1071 . 1 1 97 97 LEU CD1 C 13 26.984 0.300 . 2 . . . . 97 LEU CD1 . 10299 1 1072 . 1 1 97 97 LEU CD2 C 13 24.618 0.300 . 2 . . . . 97 LEU CD2 . 10299 1 1073 . 1 1 97 97 LEU CG C 13 27.219 0.300 . 1 . . . . 97 LEU CG . 10299 1 1074 . 1 1 97 97 LEU N N 15 131.212 0.300 . 1 . . . . 97 LEU N . 10299 1 1075 . 1 1 98 98 VAL H H 1 8.336 0.030 . 1 . . . . 98 VAL H . 10299 1 1076 . 1 1 98 98 VAL HA H 1 4.645 0.030 . 1 . . . . 98 VAL HA . 10299 1 1077 . 1 1 98 98 VAL HB H 1 1.910 0.030 . 1 . . . . 98 VAL HB . 10299 1 1078 . 1 1 98 98 VAL HG11 H 1 0.973 0.030 . 1 . . . . 98 VAL HG1 . 10299 1 1079 . 1 1 98 98 VAL HG12 H 1 0.973 0.030 . 1 . . . . 98 VAL HG1 . 10299 1 1080 . 1 1 98 98 VAL HG13 H 1 0.973 0.030 . 1 . . . . 98 VAL HG1 . 10299 1 1081 . 1 1 98 98 VAL HG21 H 1 0.828 0.030 . 1 . . . . 98 VAL HG2 . 10299 1 1082 . 1 1 98 98 VAL HG22 H 1 0.828 0.030 . 1 . . . . 98 VAL HG2 . 10299 1 1083 . 1 1 98 98 VAL HG23 H 1 0.828 0.030 . 1 . . . . 98 VAL HG2 . 10299 1 1084 . 1 1 98 98 VAL C C 13 175.609 0.300 . 1 . . . . 98 VAL C . 10299 1 1085 . 1 1 98 98 VAL CA C 13 61.988 0.300 . 1 . . . . 98 VAL CA . 10299 1 1086 . 1 1 98 98 VAL CB C 13 32.379 0.300 . 1 . . . . 98 VAL CB . 10299 1 1087 . 1 1 98 98 VAL CG1 C 13 20.979 0.300 . 2 . . . . 98 VAL CG1 . 10299 1 1088 . 1 1 98 98 VAL CG2 C 13 21.501 0.300 . 2 . . . . 98 VAL CG2 . 10299 1 1089 . 1 1 98 98 VAL N N 15 127.079 0.300 . 1 . . . . 98 VAL N . 10299 1 1090 . 1 1 99 99 LEU H H 1 9.328 0.030 . 1 . . . . 99 LEU H . 10299 1 1091 . 1 1 99 99 LEU HA H 1 4.686 0.030 . 1 . . . . 99 LEU HA . 10299 1 1092 . 1 1 99 99 LEU HB2 H 1 1.539 0.030 . 2 . . . . 99 LEU HB2 . 10299 1 1093 . 1 1 99 99 LEU HB3 H 1 1.446 0.030 . 2 . . . . 99 LEU HB3 . 10299 1 1094 . 1 1 99 99 LEU HD11 H 1 0.889 0.030 . 1 . . . . 99 LEU HD1 . 10299 1 1095 . 1 1 99 99 LEU HD12 H 1 0.889 0.030 . 1 . . . . 99 LEU HD1 . 10299 1 1096 . 1 1 99 99 LEU HD13 H 1 0.889 0.030 . 1 . . . . 99 LEU HD1 . 10299 1 1097 . 1 1 99 99 LEU HD21 H 1 0.639 0.030 . 1 . . . . 99 LEU HD2 . 10299 1 1098 . 1 1 99 99 LEU HD22 H 1 0.639 0.030 . 1 . . . . 99 LEU HD2 . 10299 1 1099 . 1 1 99 99 LEU HD23 H 1 0.639 0.030 . 1 . . . . 99 LEU HD2 . 10299 1 1100 . 1 1 99 99 LEU HG H 1 1.605 0.030 . 1 . . . . 99 LEU HG . 10299 1 1101 . 1 1 99 99 LEU C C 13 174.251 0.300 . 1 . . . . 99 LEU C . 10299 1 1102 . 1 1 99 99 LEU CA C 13 53.683 0.300 . 1 . . . . 99 LEU CA . 10299 1 1103 . 1 1 99 99 LEU CB C 13 44.238 0.300 . 1 . . . . 99 LEU CB . 10299 1 1104 . 1 1 99 99 LEU CD1 C 13 24.814 0.300 . 2 . . . . 99 LEU CD1 . 10299 1 1105 . 1 1 99 99 LEU CD2 C 13 25.837 0.300 . 2 . . . . 99 LEU CD2 . 10299 1 1106 . 1 1 99 99 LEU CG C 13 26.806 0.300 . 1 . . . . 99 LEU CG . 10299 1 1107 . 1 1 99 99 LEU N N 15 129.309 0.300 . 1 . . . . 99 LEU N . 10299 1 1108 . 1 1 100 100 GLN H H 1 8.617 0.030 . 1 . . . . 100 GLN H . 10299 1 1109 . 1 1 100 100 GLN HA H 1 5.330 0.030 . 1 . . . . 100 GLN HA . 10299 1 1110 . 1 1 100 100 GLN HB2 H 1 2.060 0.030 . 2 . . . . 100 GLN HB2 . 10299 1 1111 . 1 1 100 100 GLN HB3 H 1 1.947 0.030 . 2 . . . . 100 GLN HB3 . 10299 1 1112 . 1 1 100 100 GLN HE21 H 1 7.444 0.030 . 2 . . . . 100 GLN HE21 . 10299 1 1113 . 1 1 100 100 GLN HE22 H 1 6.431 0.030 . 2 . . . . 100 GLN HE22 . 10299 1 1114 . 1 1 100 100 GLN HG2 H 1 2.381 0.030 . 2 . . . . 100 GLN HG2 . 10299 1 1115 . 1 1 100 100 GLN HG3 H 1 2.267 0.030 . 2 . . . . 100 GLN HG3 . 10299 1 1116 . 1 1 100 100 GLN C C 13 176.758 0.300 . 1 . . . . 100 GLN C . 10299 1 1117 . 1 1 100 100 GLN CA C 13 54.141 0.300 . 1 . . . . 100 GLN CA . 10299 1 1118 . 1 1 100 100 GLN CB C 13 30.613 0.300 . 1 . . . . 100 GLN CB . 10299 1 1119 . 1 1 100 100 GLN CG C 13 33.740 0.300 . 1 . . . . 100 GLN CG . 10299 1 1120 . 1 1 100 100 GLN N N 15 123.059 0.300 . 1 . . . . 100 GLN N . 10299 1 1121 . 1 1 100 100 GLN NE2 N 15 111.434 0.300 . 1 . . . . 100 GLN NE2 . 10299 1 1122 . 1 1 101 101 THR H H 1 9.172 0.030 . 1 . . . . 101 THR H . 10299 1 1123 . 1 1 101 101 THR HA H 1 4.590 0.030 . 1 . . . . 101 THR HA . 10299 1 1124 . 1 1 101 101 THR HB H 1 4.573 0.030 . 1 . . . . 101 THR HB . 10299 1 1125 . 1 1 101 101 THR HG21 H 1 1.102 0.030 . 1 . . . . 101 THR HG2 . 10299 1 1126 . 1 1 101 101 THR HG22 H 1 1.102 0.030 . 1 . . . . 101 THR HG2 . 10299 1 1127 . 1 1 101 101 THR HG23 H 1 1.102 0.030 . 1 . . . . 101 THR HG2 . 10299 1 1128 . 1 1 101 101 THR C C 13 175.076 0.300 . 1 . . . . 101 THR C . 10299 1 1129 . 1 1 101 101 THR CA C 13 60.489 0.300 . 1 . . . . 101 THR CA . 10299 1 1130 . 1 1 101 101 THR CB C 13 70.029 0.300 . 1 . . . . 101 THR CB . 10299 1 1131 . 1 1 101 101 THR CG2 C 13 23.189 0.300 . 1 . . . . 101 THR CG2 . 10299 1 1132 . 1 1 101 101 THR N N 15 116.434 0.300 . 1 . . . . 101 THR N . 10299 1 1133 . 1 1 102 102 SER H H 1 8.292 0.030 . 1 . . . . 102 SER H . 10299 1 1134 . 1 1 102 102 SER HA H 1 4.633 0.030 . 1 . . . . 102 SER HA . 10299 1 1135 . 1 1 102 102 SER HB2 H 1 4.061 0.030 . 2 . . . . 102 SER HB2 . 10299 1 1136 . 1 1 102 102 SER HB3 H 1 3.986 0.030 . 2 . . . . 102 SER HB3 . 10299 1 1137 . 1 1 102 102 SER C C 13 174.231 0.300 . 1 . . . . 102 SER C . 10299 1 1138 . 1 1 102 102 SER CA C 13 57.967 0.300 . 1 . . . . 102 SER CA . 10299 1 1139 . 1 1 102 102 SER CB C 13 64.390 0.300 . 1 . . . . 102 SER CB . 10299 1 1140 . 1 1 102 102 SER N N 15 115.635 0.300 . 1 . . . . 102 SER N . 10299 1 1141 . 1 1 103 103 GLU H H 1 8.624 0.030 . 1 . . . . 103 GLU H . 10299 1 1142 . 1 1 103 103 GLU HA H 1 4.215 0.030 . 1 . . . . 103 GLU HA . 10299 1 1143 . 1 1 103 103 GLU HB2 H 1 2.008 0.030 . 2 . . . . 103 GLU HB2 . 10299 1 1144 . 1 1 103 103 GLU HB3 H 1 1.921 0.030 . 2 . . . . 103 GLU HB3 . 10299 1 1145 . 1 1 103 103 GLU HG2 H 1 2.220 0.030 . 1 . . . . 103 GLU HG2 . 10299 1 1146 . 1 1 103 103 GLU HG3 H 1 2.220 0.030 . 1 . . . . 103 GLU HG3 . 10299 1 1147 . 1 1 103 103 GLU C C 13 176.914 0.300 . 1 . . . . 103 GLU C . 10299 1 1148 . 1 1 103 103 GLU CA C 13 57.385 0.300 . 1 . . . . 103 GLU CA . 10299 1 1149 . 1 1 103 103 GLU CB C 13 30.391 0.300 . 1 . . . . 103 GLU CB . 10299 1 1150 . 1 1 103 103 GLU CG C 13 36.285 0.300 . 1 . . . . 103 GLU CG . 10299 1 1151 . 1 1 103 103 GLU N N 15 121.042 0.300 . 1 . . . . 103 GLU N . 10299 1 1152 . 1 1 104 104 GLY H H 1 8.149 0.030 . 1 . . . . 104 GLY H . 10299 1 1153 . 1 1 104 104 GLY HA2 H 1 3.533 0.030 . 2 . . . . 104 GLY HA2 . 10299 1 1154 . 1 1 104 104 GLY HA3 H 1 3.488 0.030 . 2 . . . . 104 GLY HA3 . 10299 1 1155 . 1 1 104 104 GLY C C 13 173.560 0.300 . 1 . . . . 104 GLY C . 10299 1 1156 . 1 1 104 104 GLY CA C 13 44.955 0.300 . 1 . . . . 104 GLY CA . 10299 1 1157 . 1 1 104 104 GLY N N 15 109.018 0.300 . 1 . . . . 104 GLY N . 10299 1 1158 . 1 1 105 105 SER H H 1 8.061 0.030 . 1 . . . . 105 SER H . 10299 1 1159 . 1 1 105 105 SER HA H 1 4.431 0.030 . 1 . . . . 105 SER HA . 10299 1 1160 . 1 1 105 105 SER HB2 H 1 3.790 0.030 . 1 . . . . 105 SER HB2 . 10299 1 1161 . 1 1 105 105 SER HB3 H 1 3.790 0.030 . 1 . . . . 105 SER HB3 . 10299 1 1162 . 1 1 105 105 SER C C 13 174.585 0.300 . 1 . . . . 105 SER C . 10299 1 1163 . 1 1 105 105 SER CA C 13 58.109 0.300 . 1 . . . . 105 SER CA . 10299 1 1164 . 1 1 105 105 SER CB C 13 64.101 0.300 . 1 . . . . 105 SER CB . 10299 1 1165 . 1 1 105 105 SER N N 15 115.025 0.300 . 1 . . . . 105 SER N . 10299 1 1166 . 1 1 106 106 GLY H H 1 8.283 0.030 . 1 . . . . 106 GLY H . 10299 1 1167 . 1 1 106 106 GLY HA2 H 1 4.124 0.030 . 2 . . . . 106 GLY HA2 . 10299 1 1168 . 1 1 106 106 GLY HA3 H 1 4.070 0.030 . 2 . . . . 106 GLY HA3 . 10299 1 1169 . 1 1 106 106 GLY C C 13 171.819 0.300 . 1 . . . . 106 GLY C . 10299 1 1170 . 1 1 106 106 GLY CA C 13 44.655 0.300 . 1 . . . . 106 GLY CA . 10299 1 1171 . 1 1 106 106 GLY N N 15 110.697 0.300 . 1 . . . . 106 GLY N . 10299 1 1172 . 1 1 107 107 PRO HA H 1 4.484 0.030 . 1 . . . . 107 PRO HA . 10299 1 1173 . 1 1 107 107 PRO HB2 H 1 2.265 0.030 . 2 . . . . 107 PRO HB2 . 10299 1 1174 . 1 1 107 107 PRO HB3 H 1 1.950 0.030 . 2 . . . . 107 PRO HB3 . 10299 1 1175 . 1 1 107 107 PRO HD2 H 1 3.614 0.030 . 1 . . . . 107 PRO HD2 . 10299 1 1176 . 1 1 107 107 PRO HD3 H 1 3.614 0.030 . 1 . . . . 107 PRO HD3 . 10299 1 1177 . 1 1 107 107 PRO HG2 H 1 2.005 0.030 . 1 . . . . 107 PRO HG2 . 10299 1 1178 . 1 1 107 107 PRO HG3 H 1 2.005 0.030 . 1 . . . . 107 PRO HG3 . 10299 1 1179 . 1 1 107 107 PRO CA C 13 63.222 0.300 . 1 . . . . 107 PRO CA . 10299 1 1180 . 1 1 107 107 PRO CB C 13 32.186 0.300 . 1 . . . . 107 PRO CB . 10299 1 1181 . 1 1 107 107 PRO CD C 13 49.813 0.300 . 1 . . . . 107 PRO CD . 10299 1 1182 . 1 1 107 107 PRO CG C 13 27.287 0.300 . 1 . . . . 107 PRO CG . 10299 1 1183 . 1 1 108 108 SER HA H 1 4.510 0.030 . 1 . . . . 108 SER HA . 10299 1 1184 . 1 1 108 108 SER HB2 H 1 3.881 0.030 . 2 . . . . 108 SER HB2 . 10299 1 1185 . 1 1 108 108 SER CA C 13 58.290 0.300 . 1 . . . . 108 SER CA . 10299 1 1186 . 1 1 108 108 SER CB C 13 64.142 0.300 . 1 . . . . 108 SER CB . 10299 1 1187 . 1 1 109 109 SER H H 1 8.066 0.030 . 1 . . . . 109 SER H . 10299 1 1188 . 1 1 109 109 SER HA H 1 4.506 0.030 . 1 . . . . 109 SER HA . 10299 1 1189 . 1 1 109 109 SER HB2 H 1 3.834 0.030 . 2 . . . . 109 SER HB2 . 10299 1 1190 . 1 1 109 109 SER HB3 H 1 3.783 0.030 . 2 . . . . 109 SER HB3 . 10299 1 1191 . 1 1 109 109 SER CA C 13 58.359 0.300 . 1 . . . . 109 SER CA . 10299 1 1192 . 1 1 109 109 SER CB C 13 64.086 0.300 . 1 . . . . 109 SER CB . 10299 1 1193 . 1 1 109 109 SER N N 15 116.942 0.300 . 1 . . . . 109 SER N . 10299 1 stop_ save_