data_11140 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11140 _Entry.Title ; Solution structure of the 4th KH type I domain from human Vigilin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-31 _Entry.Accession_date 2010-03-31 _Entry.Last_release_date 2011-04-01 _Entry.Original_release_date 2011-04-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Tomizawa . . . 11140 2 T. Kigawa . . . 11140 3 S. Koshiba . . . 11140 4 M. Inoue . . . 11140 5 S. Yokoyama . . . 11140 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11140 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11140 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 425 11140 '15N chemical shifts' 98 11140 '1H chemical shifts' 681 11140 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-04-01 2010-03-31 original author . 11140 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CTF 'BMRB Entry Tracking System' 11140 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11140 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the 4th KH type I domain from human Vigilin' _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 T. Tomizawa . . . 11140 1 2 T. Kigawa . . . 11140 1 3 S. Koshiba . . . 11140 1 4 M. Inoue . . . 11140 1 5 S. Yokoyama . . . 11140 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11140 _Assembly.ID 1 _Assembly.Name final001 _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 'KH domain' 1 $entity_1 A . yes native no no . . . 11140 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2ctf . . . . . . 11140 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11140 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'KH domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGEPEKLGQALTEVY AKANSFTVSSVAAPSWLHRF IIGKKGQNLAKITQQMPKVH IEFTEGEDKITLEGPTEDVS VAQEQIEGMVKDLINRSGPS SG ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2CTF . "Solution Structure Of The 4th Kh Type I Domain From Human Vigilin" . . . . . 100.00 102 100.00 100.00 3.65e-66 . . . . 11140 1 2 no DBJ BAC33456 . "unnamed protein product [Mus musculus]" . . . . . 51.96 422 98.11 100.00 3.70e-26 . . . . 11140 1 3 no EMBL CAI46262 . "hypothetical protein [Homo sapiens]" . . . . . 51.96 248 100.00 100.00 1.44e-27 . . . . 11140 1 4 no GB EDL39954 . "high density lipoprotein (HDL) binding protein, isoform CRA_e [Mus musculus]" . . . . . 88.24 314 97.78 100.00 1.55e-54 . . . . 11140 1 5 no GB EDL91932 . "high density lipoprotein binding protein, isoform CRA_d [Rattus norvegicus]" . . . . . 88.24 329 97.78 100.00 1.61e-54 . . . . 11140 1 6 no GB EDL91937 . "high density lipoprotein binding protein, isoform CRA_d [Rattus norvegicus]" . . . . . 88.24 329 97.78 100.00 1.61e-54 . . . . 11140 1 7 no GB EDL91944 . "high density lipoprotein binding protein, isoform CRA_d [Rattus norvegicus]" . . . . . 88.24 329 97.78 100.00 1.61e-54 . . . . 11140 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'KH domain' . 11140 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 . 11140 1 2 . SER . 11140 1 3 . SER . 11140 1 4 . GLY . 11140 1 5 . SER . 11140 1 6 . SER . 11140 1 7 . GLY . 11140 1 8 . GLU . 11140 1 9 . PRO . 11140 1 10 . GLU . 11140 1 11 . LYS . 11140 1 12 . LEU . 11140 1 13 . GLY . 11140 1 14 . GLN . 11140 1 15 . ALA . 11140 1 16 . LEU . 11140 1 17 . THR . 11140 1 18 . GLU . 11140 1 19 . VAL . 11140 1 20 . TYR . 11140 1 21 . ALA . 11140 1 22 . LYS . 11140 1 23 . ALA . 11140 1 24 . ASN . 11140 1 25 . SER . 11140 1 26 . PHE . 11140 1 27 . THR . 11140 1 28 . VAL . 11140 1 29 . SER . 11140 1 30 . SER . 11140 1 31 . VAL . 11140 1 32 . ALA . 11140 1 33 . ALA . 11140 1 34 . PRO . 11140 1 35 . SER . 11140 1 36 . TRP . 11140 1 37 . LEU . 11140 1 38 . HIS . 11140 1 39 . ARG . 11140 1 40 . PHE . 11140 1 41 . ILE . 11140 1 42 . ILE . 11140 1 43 . GLY . 11140 1 44 . LYS . 11140 1 45 . LYS . 11140 1 46 . GLY . 11140 1 47 . GLN . 11140 1 48 . ASN . 11140 1 49 . LEU . 11140 1 50 . ALA . 11140 1 51 . LYS . 11140 1 52 . ILE . 11140 1 53 . THR . 11140 1 54 . GLN . 11140 1 55 . GLN . 11140 1 56 . MET . 11140 1 57 . PRO . 11140 1 58 . LYS . 11140 1 59 . VAL . 11140 1 60 . HIS . 11140 1 61 . ILE . 11140 1 62 . GLU . 11140 1 63 . PHE . 11140 1 64 . THR . 11140 1 65 . GLU . 11140 1 66 . GLY . 11140 1 67 . GLU . 11140 1 68 . ASP . 11140 1 69 . LYS . 11140 1 70 . ILE . 11140 1 71 . THR . 11140 1 72 . LEU . 11140 1 73 . GLU . 11140 1 74 . GLY . 11140 1 75 . PRO . 11140 1 76 . THR . 11140 1 77 . GLU . 11140 1 78 . ASP . 11140 1 79 . VAL . 11140 1 80 . SER . 11140 1 81 . VAL . 11140 1 82 . ALA . 11140 1 83 . GLN . 11140 1 84 . GLU . 11140 1 85 . GLN . 11140 1 86 . ILE . 11140 1 87 . GLU . 11140 1 88 . GLY . 11140 1 89 . MET . 11140 1 90 . VAL . 11140 1 91 . LYS . 11140 1 92 . ASP . 11140 1 93 . LEU . 11140 1 94 . ILE . 11140 1 95 . ASN . 11140 1 96 . ARG . 11140 1 97 . SER . 11140 1 98 . GLY . 11140 1 99 . PRO . 11140 1 100 . SER . 11140 1 101 . SER . 11140 1 102 . GLY . 11140 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 11140 1 . SER 2 2 11140 1 . SER 3 3 11140 1 . GLY 4 4 11140 1 . SER 5 5 11140 1 . SER 6 6 11140 1 . GLY 7 7 11140 1 . GLU 8 8 11140 1 . PRO 9 9 11140 1 . GLU 10 10 11140 1 . LYS 11 11 11140 1 . LEU 12 12 11140 1 . GLY 13 13 11140 1 . GLN 14 14 11140 1 . ALA 15 15 11140 1 . LEU 16 16 11140 1 . THR 17 17 11140 1 . GLU 18 18 11140 1 . VAL 19 19 11140 1 . TYR 20 20 11140 1 . ALA 21 21 11140 1 . LYS 22 22 11140 1 . ALA 23 23 11140 1 . ASN 24 24 11140 1 . SER 25 25 11140 1 . PHE 26 26 11140 1 . THR 27 27 11140 1 . VAL 28 28 11140 1 . SER 29 29 11140 1 . SER 30 30 11140 1 . VAL 31 31 11140 1 . ALA 32 32 11140 1 . ALA 33 33 11140 1 . PRO 34 34 11140 1 . SER 35 35 11140 1 . TRP 36 36 11140 1 . LEU 37 37 11140 1 . HIS 38 38 11140 1 . ARG 39 39 11140 1 . PHE 40 40 11140 1 . ILE 41 41 11140 1 . ILE 42 42 11140 1 . GLY 43 43 11140 1 . LYS 44 44 11140 1 . LYS 45 45 11140 1 . GLY 46 46 11140 1 . GLN 47 47 11140 1 . ASN 48 48 11140 1 . LEU 49 49 11140 1 . ALA 50 50 11140 1 . LYS 51 51 11140 1 . ILE 52 52 11140 1 . THR 53 53 11140 1 . GLN 54 54 11140 1 . GLN 55 55 11140 1 . MET 56 56 11140 1 . PRO 57 57 11140 1 . LYS 58 58 11140 1 . VAL 59 59 11140 1 . HIS 60 60 11140 1 . ILE 61 61 11140 1 . GLU 62 62 11140 1 . PHE 63 63 11140 1 . THR 64 64 11140 1 . GLU 65 65 11140 1 . GLY 66 66 11140 1 . GLU 67 67 11140 1 . ASP 68 68 11140 1 . LYS 69 69 11140 1 . ILE 70 70 11140 1 . THR 71 71 11140 1 . LEU 72 72 11140 1 . GLU 73 73 11140 1 . GLY 74 74 11140 1 . PRO 75 75 11140 1 . THR 76 76 11140 1 . GLU 77 77 11140 1 . ASP 78 78 11140 1 . VAL 79 79 11140 1 . SER 80 80 11140 1 . VAL 81 81 11140 1 . ALA 82 82 11140 1 . GLN 83 83 11140 1 . GLU 84 84 11140 1 . GLN 85 85 11140 1 . ILE 86 86 11140 1 . GLU 87 87 11140 1 . GLY 88 88 11140 1 . MET 89 89 11140 1 . VAL 90 90 11140 1 . LYS 91 91 11140 1 . ASP 92 92 11140 1 . LEU 93 93 11140 1 . ILE 94 94 11140 1 . ASN 95 95 11140 1 . ARG 96 96 11140 1 . SER 97 97 11140 1 . GLY 98 98 11140 1 . PRO 99 99 11140 1 . SER 100 100 11140 1 . SER 101 101 11140 1 . GLY 102 102 11140 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 11140 _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 . . . . . . . . . . . . . . . . . . . . . 11140 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 11140 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' . . 562 Escherichia coli . . . . . . . . . . . . . . . . P050131-13 . . . . . . 11140 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11140 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.16mM KH domain U-15N, {13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KH domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.16 . . mM . . . . 11140 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11140 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11140 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11140 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11140 1 6 H2O . . . . . . solvent 90 . . % . . . . 11140 1 7 D2O . . . . . . solvent 10 . . % . . . . 11140 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 11140 _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 11140 1 pH 7.0 0.05 pH 11140 1 pressure 1 0.001 atm 11140 1 temperature 296 0.1 K 11140 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11140 _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 . . 11140 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11140 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11140 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11140 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11140 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11140 _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.' . . 11140 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11140 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11140 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11140 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11140 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11140 _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.' . . 11140 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11140 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 11140 _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 11140 _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 . . . 11140 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 11140 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11140 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11140 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 11140 _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 . . . . . . . . . 11140 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11140 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11140 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 11140 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11140 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11140 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11140 1 2 $NMRPipe . . 11140 1 3 $NMRview . . 11140 1 4 $Kujira . . 11140 1 5 $CYANA . . 11140 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 1 1 GLY HA2 H 1 3.758 0.030 . 1 . . . . 1 GLY HA2 . 11140 1 2 . 1 1 1 1 GLY HA3 H 1 3.758 0.030 . 1 . . . . 1 GLY HA3 . 11140 1 3 . 1 1 1 1 GLY CA C 13 41.373 0.300 . 1 . . . . 1 GLY CA . 11140 1 4 . 1 1 6 6 SER HA H 1 4.372 0.030 . 1 . . . . 6 SER HA . 11140 1 5 . 1 1 6 6 SER HB2 H 1 3.801 0.030 . 1 . . . . 6 SER HB2 . 11140 1 6 . 1 1 6 6 SER HB3 H 1 3.801 0.030 . 1 . . . . 6 SER HB3 . 11140 1 7 . 1 1 6 6 SER C C 13 172.584 0.300 . 1 . . . . 6 SER C . 11140 1 8 . 1 1 6 6 SER CA C 13 56.296 0.300 . 1 . . . . 6 SER CA . 11140 1 9 . 1 1 6 6 SER CB C 13 61.445 0.300 . 1 . . . . 6 SER CB . 11140 1 10 . 1 1 7 7 GLY H H 1 8.290 0.030 . 1 . . . . 7 GLY H . 11140 1 11 . 1 1 7 7 GLY HA2 H 1 3.862 0.030 . 1 . . . . 7 GLY HA2 . 11140 1 12 . 1 1 7 7 GLY HA3 H 1 3.862 0.030 . 1 . . . . 7 GLY HA3 . 11140 1 13 . 1 1 7 7 GLY C C 13 171.416 0.300 . 1 . . . . 7 GLY C . 11140 1 14 . 1 1 7 7 GLY CA C 13 42.734 0.300 . 1 . . . . 7 GLY CA . 11140 1 15 . 1 1 7 7 GLY N N 15 110.305 0.300 . 1 . . . . 7 GLY N . 11140 1 16 . 1 1 8 8 GLU H H 1 8.129 0.030 . 1 . . . . 8 GLU H . 11140 1 17 . 1 1 8 8 GLU HA H 1 4.476 0.030 . 1 . . . . 8 GLU HA . 11140 1 18 . 1 1 8 8 GLU HB2 H 1 1.773 0.030 . 2 . . . . 8 GLU HB2 . 11140 1 19 . 1 1 8 8 GLU HB3 H 1 1.929 0.030 . 2 . . . . 8 GLU HB3 . 11140 1 20 . 1 1 8 8 GLU HG2 H 1 2.145 0.030 . 1 . . . . 8 GLU HG2 . 11140 1 21 . 1 1 8 8 GLU HG3 H 1 2.145 0.030 . 1 . . . . 8 GLU HG3 . 11140 1 22 . 1 1 8 8 GLU C C 13 172.375 0.300 . 1 . . . . 8 GLU C . 11140 1 23 . 1 1 8 8 GLU CA C 13 52.167 0.300 . 1 . . . . 8 GLU CA . 11140 1 24 . 1 1 8 8 GLU CB C 13 27.324 0.300 . 1 . . . . 8 GLU CB . 11140 1 25 . 1 1 8 8 GLU CG C 13 33.833 0.300 . 1 . . . . 8 GLU CG . 11140 1 26 . 1 1 8 8 GLU N N 15 121.275 0.300 . 1 . . . . 8 GLU N . 11140 1 27 . 1 1 9 9 PRO HA H 1 4.281 0.030 . 1 . . . . 9 PRO HA . 11140 1 28 . 1 1 9 9 PRO HB2 H 1 2.192 0.030 . 2 . . . . 9 PRO HB2 . 11140 1 29 . 1 1 9 9 PRO HB3 H 1 1.788 0.030 . 2 . . . . 9 PRO HB3 . 11140 1 30 . 1 1 9 9 PRO HD2 H 1 3.701 0.030 . 2 . . . . 9 PRO HD2 . 11140 1 31 . 1 1 9 9 PRO HD3 H 1 3.586 0.030 . 2 . . . . 9 PRO HD3 . 11140 1 32 . 1 1 9 9 PRO HG2 H 1 1.907 0.030 . 1 . . . . 9 PRO HG2 . 11140 1 33 . 1 1 9 9 PRO HG3 H 1 1.907 0.030 . 1 . . . . 9 PRO HG3 . 11140 1 34 . 1 1 9 9 PRO C C 13 174.745 0.300 . 1 . . . . 9 PRO C . 11140 1 35 . 1 1 9 9 PRO CA C 13 61.020 0.300 . 1 . . . . 9 PRO CA . 11140 1 36 . 1 1 9 9 PRO CB C 13 29.708 0.300 . 1 . . . . 9 PRO CB . 11140 1 37 . 1 1 9 9 PRO CD C 13 48.267 0.300 . 1 . . . . 9 PRO CD . 11140 1 38 . 1 1 9 9 PRO CG C 13 25.144 0.300 . 1 . . . . 9 PRO CG . 11140 1 39 . 1 1 10 10 GLU H H 1 8.484 0.030 . 1 . . . . 10 GLU H . 11140 1 40 . 1 1 10 10 GLU HA H 1 4.084 0.030 . 1 . . . . 10 GLU HA . 11140 1 41 . 1 1 10 10 GLU HB2 H 1 1.843 0.030 . 2 . . . . 10 GLU HB2 . 11140 1 42 . 1 1 10 10 GLU HB3 H 1 1.899 0.030 . 2 . . . . 10 GLU HB3 . 11140 1 43 . 1 1 10 10 GLU HG2 H 1 2.141 0.030 . 2 . . . . 10 GLU HG2 . 11140 1 44 . 1 1 10 10 GLU HG3 H 1 2.172 0.030 . 2 . . . . 10 GLU HG3 . 11140 1 45 . 1 1 10 10 GLU C C 13 174.329 0.300 . 1 . . . . 10 GLU C . 11140 1 46 . 1 1 10 10 GLU CA C 13 54.607 0.300 . 1 . . . . 10 GLU CA . 11140 1 47 . 1 1 10 10 GLU CB C 13 27.830 0.300 . 1 . . . . 10 GLU CB . 11140 1 48 . 1 1 10 10 GLU CG C 13 34.097 0.300 . 1 . . . . 10 GLU CG . 11140 1 49 . 1 1 10 10 GLU N N 15 120.732 0.300 . 1 . . . . 10 GLU N . 11140 1 50 . 1 1 11 11 LYS H H 1 8.229 0.030 . 1 . . . . 11 LYS H . 11140 1 51 . 1 1 11 11 LYS HA H 1 4.206 0.030 . 1 . . . . 11 LYS HA . 11140 1 52 . 1 1 11 11 LYS HB2 H 1 1.711 0.030 . 2 . . . . 11 LYS HB2 . 11140 1 53 . 1 1 11 11 LYS HB3 H 1 1.640 0.030 . 2 . . . . 11 LYS HB3 . 11140 1 54 . 1 1 11 11 LYS HD2 H 1 1.568 0.030 . 1 . . . . 11 LYS HD2 . 11140 1 55 . 1 1 11 11 LYS HD3 H 1 1.568 0.030 . 1 . . . . 11 LYS HD3 . 11140 1 56 . 1 1 11 11 LYS HE2 H 1 2.878 0.030 . 1 . . . . 11 LYS HE2 . 11140 1 57 . 1 1 11 11 LYS HE3 H 1 2.878 0.030 . 1 . . . . 11 LYS HE3 . 11140 1 58 . 1 1 11 11 LYS HG2 H 1 1.329 0.030 . 1 . . . . 11 LYS HG2 . 11140 1 59 . 1 1 11 11 LYS HG3 H 1 1.329 0.030 . 1 . . . . 11 LYS HG3 . 11140 1 60 . 1 1 11 11 LYS C C 13 174.174 0.300 . 1 . . . . 11 LYS C . 11140 1 61 . 1 1 11 11 LYS CA C 13 53.793 0.300 . 1 . . . . 11 LYS CA . 11140 1 62 . 1 1 11 11 LYS CB C 13 30.549 0.300 . 1 . . . . 11 LYS CB . 11140 1 63 . 1 1 11 11 LYS CD C 13 26.759 0.300 . 1 . . . . 11 LYS CD . 11140 1 64 . 1 1 11 11 LYS CE C 13 39.859 0.300 . 1 . . . . 11 LYS CE . 11140 1 65 . 1 1 11 11 LYS CG C 13 22.457 0.300 . 1 . . . . 11 LYS CG . 11140 1 66 . 1 1 11 11 LYS N N 15 122.191 0.300 . 1 . . . . 11 LYS N . 11140 1 67 . 1 1 12 12 LEU H H 1 8.161 0.030 . 1 . . . . 12 LEU H . 11140 1 68 . 1 1 12 12 LEU HA H 1 4.236 0.030 . 1 . . . . 12 LEU HA . 11140 1 69 . 1 1 12 12 LEU HB2 H 1 1.484 0.030 . 2 . . . . 12 LEU HB2 . 11140 1 70 . 1 1 12 12 LEU HB3 H 1 1.568 0.030 . 2 . . . . 12 LEU HB3 . 11140 1 71 . 1 1 12 12 LEU HD11 H 1 0.816 0.030 . 1 . . . . 12 LEU HD1 . 11140 1 72 . 1 1 12 12 LEU HD12 H 1 0.816 0.030 . 1 . . . . 12 LEU HD1 . 11140 1 73 . 1 1 12 12 LEU HD13 H 1 0.816 0.030 . 1 . . . . 12 LEU HD1 . 11140 1 74 . 1 1 12 12 LEU HD21 H 1 0.764 0.030 . 1 . . . . 12 LEU HD2 . 11140 1 75 . 1 1 12 12 LEU HD22 H 1 0.764 0.030 . 1 . . . . 12 LEU HD2 . 11140 1 76 . 1 1 12 12 LEU HD23 H 1 0.764 0.030 . 1 . . . . 12 LEU HD2 . 11140 1 77 . 1 1 12 12 LEU HG H 1 1.524 0.030 . 1 . . . . 12 LEU HG . 11140 1 78 . 1 1 12 12 LEU C C 13 175.698 0.300 . 1 . . . . 12 LEU C . 11140 1 79 . 1 1 12 12 LEU CA C 13 53.017 0.300 . 1 . . . . 12 LEU CA . 11140 1 80 . 1 1 12 12 LEU CB C 13 40.065 0.300 . 1 . . . . 12 LEU CB . 11140 1 81 . 1 1 12 12 LEU CD1 C 13 22.571 0.300 . 2 . . . . 12 LEU CD1 . 11140 1 82 . 1 1 12 12 LEU CD2 C 13 21.074 0.300 . 2 . . . . 12 LEU CD2 . 11140 1 83 . 1 1 12 12 LEU CG C 13 24.699 0.300 . 1 . . . . 12 LEU CG . 11140 1 84 . 1 1 12 12 LEU N N 15 123.074 0.300 . 1 . . . . 12 LEU N . 11140 1 85 . 1 1 13 13 GLY H H 1 8.364 0.030 . 1 . . . . 13 GLY H . 11140 1 86 . 1 1 13 13 GLY HA2 H 1 3.823 0.030 . 1 . . . . 13 GLY HA2 . 11140 1 87 . 1 1 13 13 GLY HA3 H 1 3.823 0.030 . 1 . . . . 13 GLY HA3 . 11140 1 88 . 1 1 13 13 GLY C C 13 171.915 0.300 . 1 . . . . 13 GLY C . 11140 1 89 . 1 1 13 13 GLY CA C 13 43.110 0.300 . 1 . . . . 13 GLY CA . 11140 1 90 . 1 1 13 13 GLY N N 15 109.298 0.300 . 1 . . . . 13 GLY N . 11140 1 91 . 1 1 14 14 GLN H H 1 8.079 0.030 . 1 . . . . 14 GLN H . 11140 1 92 . 1 1 14 14 GLN HA H 1 4.197 0.030 . 1 . . . . 14 GLN HA . 11140 1 93 . 1 1 14 14 GLN HB2 H 1 1.866 0.030 . 2 . . . . 14 GLN HB2 . 11140 1 94 . 1 1 14 14 GLN HB3 H 1 1.981 0.030 . 2 . . . . 14 GLN HB3 . 11140 1 95 . 1 1 14 14 GLN HE21 H 1 6.771 0.030 . 2 . . . . 14 GLN HE21 . 11140 1 96 . 1 1 14 14 GLN HE22 H 1 7.472 0.030 . 2 . . . . 14 GLN HE22 . 11140 1 97 . 1 1 14 14 GLN HG2 H 1 2.232 0.030 . 1 . . . . 14 GLN HG2 . 11140 1 98 . 1 1 14 14 GLN HG3 H 1 2.232 0.030 . 1 . . . . 14 GLN HG3 . 11140 1 99 . 1 1 14 14 GLN C C 13 173.448 0.300 . 1 . . . . 14 GLN C . 11140 1 100 . 1 1 14 14 GLN CA C 13 53.633 0.300 . 1 . . . . 14 GLN CA . 11140 1 101 . 1 1 14 14 GLN CB C 13 27.269 0.300 . 1 . . . . 14 GLN CB . 11140 1 102 . 1 1 14 14 GLN CG C 13 31.457 0.300 . 1 . . . . 14 GLN CG . 11140 1 103 . 1 1 14 14 GLN N N 15 119.623 0.300 . 1 . . . . 14 GLN N . 11140 1 104 . 1 1 14 14 GLN NE2 N 15 112.170 0.300 . 1 . . . . 14 GLN NE2 . 11140 1 105 . 1 1 15 15 ALA H H 1 8.275 0.030 . 1 . . . . 15 ALA H . 11140 1 106 . 1 1 15 15 ALA HA H 1 4.177 0.030 . 1 . . . . 15 ALA HA . 11140 1 107 . 1 1 15 15 ALA HB1 H 1 1.285 0.030 . 1 . . . . 15 ALA HB . 11140 1 108 . 1 1 15 15 ALA HB2 H 1 1.285 0.030 . 1 . . . . 15 ALA HB . 11140 1 109 . 1 1 15 15 ALA HB3 H 1 1.285 0.030 . 1 . . . . 15 ALA HB . 11140 1 110 . 1 1 15 15 ALA C C 13 175.533 0.300 . 1 . . . . 15 ALA C . 11140 1 111 . 1 1 15 15 ALA CA C 13 50.414 0.300 . 1 . . . . 15 ALA CA . 11140 1 112 . 1 1 15 15 ALA CB C 13 16.831 0.300 . 1 . . . . 15 ALA CB . 11140 1 113 . 1 1 15 15 ALA N N 15 124.693 0.300 . 1 . . . . 15 ALA N . 11140 1 114 . 1 1 16 16 LEU H H 1 8.184 0.030 . 1 . . . . 16 LEU H . 11140 1 115 . 1 1 16 16 LEU HA H 1 4.240 0.030 . 1 . . . . 16 LEU HA . 11140 1 116 . 1 1 16 16 LEU HB2 H 1 1.569 0.030 . 2 . . . . 16 LEU HB2 . 11140 1 117 . 1 1 16 16 LEU HB3 H 1 1.485 0.030 . 2 . . . . 16 LEU HB3 . 11140 1 118 . 1 1 16 16 LEU HD11 H 1 0.817 0.030 . 1 . . . . 16 LEU HD1 . 11140 1 119 . 1 1 16 16 LEU HD12 H 1 0.817 0.030 . 1 . . . . 16 LEU HD1 . 11140 1 120 . 1 1 16 16 LEU HD13 H 1 0.817 0.030 . 1 . . . . 16 LEU HD1 . 11140 1 121 . 1 1 16 16 LEU HD21 H 1 0.765 0.030 . 1 . . . . 16 LEU HD2 . 11140 1 122 . 1 1 16 16 LEU HD22 H 1 0.765 0.030 . 1 . . . . 16 LEU HD2 . 11140 1 123 . 1 1 16 16 LEU HD23 H 1 0.765 0.030 . 1 . . . . 16 LEU HD2 . 11140 1 124 . 1 1 16 16 LEU HG H 1 1.527 0.030 . 1 . . . . 16 LEU HG . 11140 1 125 . 1 1 16 16 LEU C C 13 175.394 0.300 . 1 . . . . 16 LEU C . 11140 1 126 . 1 1 16 16 LEU CA C 13 53.056 0.300 . 1 . . . . 16 LEU CA . 11140 1 127 . 1 1 16 16 LEU CB C 13 39.859 0.300 . 1 . . . . 16 LEU CB . 11140 1 128 . 1 1 16 16 LEU CD1 C 13 22.577 0.300 . 2 . . . . 16 LEU CD1 . 11140 1 129 . 1 1 16 16 LEU CD2 C 13 21.074 0.300 . 2 . . . . 16 LEU CD2 . 11140 1 130 . 1 1 16 16 LEU CG C 13 24.699 0.300 . 1 . . . . 16 LEU CG . 11140 1 131 . 1 1 16 16 LEU N N 15 121.017 0.300 . 1 . . . . 16 LEU N . 11140 1 132 . 1 1 17 17 THR H H 1 7.905 0.030 . 1 . . . . 17 THR H . 11140 1 133 . 1 1 17 17 THR HA H 1 4.169 0.030 . 1 . . . . 17 THR HA . 11140 1 134 . 1 1 17 17 THR HB H 1 4.112 0.030 . 1 . . . . 17 THR HB . 11140 1 135 . 1 1 17 17 THR HG21 H 1 1.092 0.030 . 1 . . . . 17 THR HG2 . 11140 1 136 . 1 1 17 17 THR HG22 H 1 1.092 0.030 . 1 . . . . 17 THR HG2 . 11140 1 137 . 1 1 17 17 THR HG23 H 1 1.092 0.030 . 1 . . . . 17 THR HG2 . 11140 1 138 . 1 1 17 17 THR C C 13 172.350 0.300 . 1 . . . . 17 THR C . 11140 1 139 . 1 1 17 17 THR CA C 13 59.874 0.300 . 1 . . . . 17 THR CA . 11140 1 140 . 1 1 17 17 THR CB C 13 67.372 0.300 . 1 . . . . 17 THR CB . 11140 1 141 . 1 1 17 17 THR CG2 C 13 19.351 0.300 . 1 . . . . 17 THR CG2 . 11140 1 142 . 1 1 17 17 THR N N 15 113.629 0.300 . 1 . . . . 17 THR N . 11140 1 143 . 1 1 18 18 GLU H H 1 8.192 0.030 . 1 . . . . 18 GLU H . 11140 1 144 . 1 1 18 18 GLU HA H 1 4.164 0.030 . 1 . . . . 18 GLU HA . 11140 1 145 . 1 1 18 18 GLU HB2 H 1 1.816 0.030 . 2 . . . . 18 GLU HB2 . 11140 1 146 . 1 1 18 18 GLU HB3 H 1 1.872 0.030 . 2 . . . . 18 GLU HB3 . 11140 1 147 . 1 1 18 18 GLU HG2 H 1 2.077 0.030 . 2 . . . . 18 GLU HG2 . 11140 1 148 . 1 1 18 18 GLU HG3 H 1 2.128 0.030 . 2 . . . . 18 GLU HG3 . 11140 1 149 . 1 1 18 18 GLU C C 13 174.024 0.300 . 1 . . . . 18 GLU C . 11140 1 150 . 1 1 18 18 GLU CA C 13 54.480 0.300 . 1 . . . . 18 GLU CA . 11140 1 151 . 1 1 18 18 GLU CB C 13 27.823 0.300 . 1 . . . . 18 GLU CB . 11140 1 152 . 1 1 18 18 GLU CG C 13 33.927 0.300 . 1 . . . . 18 GLU CG . 11140 1 153 . 1 1 18 18 GLU N N 15 122.679 0.300 . 1 . . . . 18 GLU N . 11140 1 154 . 1 1 19 19 VAL H H 1 7.911 0.030 . 1 . . . . 19 VAL H . 11140 1 155 . 1 1 19 19 VAL HA H 1 3.844 0.030 . 1 . . . . 19 VAL HA . 11140 1 156 . 1 1 19 19 VAL HB H 1 1.854 0.030 . 1 . . . . 19 VAL HB . 11140 1 157 . 1 1 19 19 VAL HG11 H 1 0.697 0.030 . 1 . . . . 19 VAL HG1 . 11140 1 158 . 1 1 19 19 VAL HG12 H 1 0.697 0.030 . 1 . . . . 19 VAL HG1 . 11140 1 159 . 1 1 19 19 VAL HG13 H 1 0.697 0.030 . 1 . . . . 19 VAL HG1 . 11140 1 160 . 1 1 19 19 VAL HG21 H 1 0.768 0.030 . 1 . . . . 19 VAL HG2 . 11140 1 161 . 1 1 19 19 VAL HG22 H 1 0.768 0.030 . 1 . . . . 19 VAL HG2 . 11140 1 162 . 1 1 19 19 VAL HG23 H 1 0.768 0.030 . 1 . . . . 19 VAL HG2 . 11140 1 163 . 1 1 19 19 VAL C C 13 173.873 0.300 . 1 . . . . 19 VAL C . 11140 1 164 . 1 1 19 19 VAL CA C 13 60.606 0.300 . 1 . . . . 19 VAL CA . 11140 1 165 . 1 1 19 19 VAL CB C 13 30.178 0.300 . 1 . . . . 19 VAL CB . 11140 1 166 . 1 1 19 19 VAL CG1 C 13 18.646 0.300 . 2 . . . . 19 VAL CG1 . 11140 1 167 . 1 1 19 19 VAL CG2 C 13 18.443 0.300 . 2 . . . . 19 VAL CG2 . 11140 1 168 . 1 1 19 19 VAL N N 15 120.455 0.300 . 1 . . . . 19 VAL N . 11140 1 169 . 1 1 20 20 TYR H H 1 8.041 0.030 . 1 . . . . 20 TYR H . 11140 1 170 . 1 1 20 20 TYR HA H 1 4.442 0.030 . 1 . . . . 20 TYR HA . 11140 1 171 . 1 1 20 20 TYR HB2 H 1 2.813 0.030 . 2 . . . . 20 TYR HB2 . 11140 1 172 . 1 1 20 20 TYR HB3 H 1 2.967 0.030 . 2 . . . . 20 TYR HB3 . 11140 1 173 . 1 1 20 20 TYR HD1 H 1 7.002 0.030 . 1 . . . . 20 TYR HD1 . 11140 1 174 . 1 1 20 20 TYR HD2 H 1 7.002 0.030 . 1 . . . . 20 TYR HD2 . 11140 1 175 . 1 1 20 20 TYR HE1 H 1 6.695 0.030 . 1 . . . . 20 TYR HE1 . 11140 1 176 . 1 1 20 20 TYR HE2 H 1 6.695 0.030 . 1 . . . . 20 TYR HE2 . 11140 1 177 . 1 1 20 20 TYR C C 13 173.370 0.300 . 1 . . . . 20 TYR C . 11140 1 178 . 1 1 20 20 TYR CA C 13 55.590 0.300 . 1 . . . . 20 TYR CA . 11140 1 179 . 1 1 20 20 TYR CB C 13 36.275 0.300 . 1 . . . . 20 TYR CB . 11140 1 180 . 1 1 20 20 TYR CD1 C 13 130.814 0.300 . 1 . . . . 20 TYR CD1 . 11140 1 181 . 1 1 20 20 TYR CD2 C 13 130.814 0.300 . 1 . . . . 20 TYR CD2 . 11140 1 182 . 1 1 20 20 TYR CE1 C 13 115.917 0.300 . 1 . . . . 20 TYR CE1 . 11140 1 183 . 1 1 20 20 TYR CE2 C 13 115.917 0.300 . 1 . . . . 20 TYR CE2 . 11140 1 184 . 1 1 20 20 TYR N N 15 122.870 0.300 . 1 . . . . 20 TYR N . 11140 1 185 . 1 1 21 21 ALA H H 1 8.041 0.030 . 1 . . . . 21 ALA H . 11140 1 186 . 1 1 21 21 ALA HA H 1 4.146 0.030 . 1 . . . . 21 ALA HA . 11140 1 187 . 1 1 21 21 ALA HB1 H 1 1.255 0.030 . 1 . . . . 21 ALA HB . 11140 1 188 . 1 1 21 21 ALA HB2 H 1 1.255 0.030 . 1 . . . . 21 ALA HB . 11140 1 189 . 1 1 21 21 ALA HB3 H 1 1.255 0.030 . 1 . . . . 21 ALA HB . 11140 1 190 . 1 1 21 21 ALA C C 13 175.272 0.300 . 1 . . . . 21 ALA C . 11140 1 191 . 1 1 21 21 ALA CA C 13 50.267 0.300 . 1 . . . . 21 ALA CA . 11140 1 192 . 1 1 21 21 ALA CB C 13 16.831 0.300 . 1 . . . . 21 ALA CB . 11140 1 193 . 1 1 21 21 ALA N N 15 124.964 0.300 . 1 . . . . 21 ALA N . 11140 1 194 . 1 1 22 22 LYS H H 1 8.022 0.030 . 1 . . . . 22 LYS H . 11140 1 195 . 1 1 22 22 LYS HA H 1 4.120 0.030 . 1 . . . . 22 LYS HA . 11140 1 196 . 1 1 22 22 LYS HB2 H 1 1.641 0.030 . 2 . . . . 22 LYS HB2 . 11140 1 197 . 1 1 22 22 LYS HB3 H 1 1.727 0.030 . 2 . . . . 22 LYS HB3 . 11140 1 198 . 1 1 22 22 LYS HD2 H 1 1.571 0.030 . 1 . . . . 22 LYS HD2 . 11140 1 199 . 1 1 22 22 LYS HD3 H 1 1.571 0.030 . 1 . . . . 22 LYS HD3 . 11140 1 200 . 1 1 22 22 LYS HE2 H 1 2.882 0.030 . 1 . . . . 22 LYS HE2 . 11140 1 201 . 1 1 22 22 LYS HE3 H 1 2.882 0.030 . 1 . . . . 22 LYS HE3 . 11140 1 202 . 1 1 22 22 LYS HG2 H 1 1.359 0.030 . 1 . . . . 22 LYS HG2 . 11140 1 203 . 1 1 22 22 LYS HG3 H 1 1.359 0.030 . 1 . . . . 22 LYS HG3 . 11140 1 204 . 1 1 22 22 LYS C C 13 174.355 0.300 . 1 . . . . 22 LYS C . 11140 1 205 . 1 1 22 22 LYS CA C 13 54.158 0.300 . 1 . . . . 22 LYS CA . 11140 1 206 . 1 1 22 22 LYS CB C 13 30.554 0.300 . 1 . . . . 22 LYS CB . 11140 1 207 . 1 1 22 22 LYS CD C 13 26.759 0.300 . 1 . . . . 22 LYS CD . 11140 1 208 . 1 1 22 22 LYS CE C 13 39.777 0.300 . 1 . . . . 22 LYS CE . 11140 1 209 . 1 1 22 22 LYS CG C 13 22.521 0.300 . 1 . . . . 22 LYS CG . 11140 1 210 . 1 1 22 22 LYS N N 15 120.111 0.300 . 1 . . . . 22 LYS N . 11140 1 211 . 1 1 23 23 ALA H H 1 8.158 0.030 . 1 . . . . 23 ALA H . 11140 1 212 . 1 1 23 23 ALA HA H 1 4.179 0.030 . 1 . . . . 23 ALA HA . 11140 1 213 . 1 1 23 23 ALA HB1 H 1 1.288 0.030 . 1 . . . . 23 ALA HB . 11140 1 214 . 1 1 23 23 ALA HB2 H 1 1.288 0.030 . 1 . . . . 23 ALA HB . 11140 1 215 . 1 1 23 23 ALA HB3 H 1 1.288 0.030 . 1 . . . . 23 ALA HB . 11140 1 216 . 1 1 23 23 ALA C C 13 175.245 0.300 . 1 . . . . 23 ALA C . 11140 1 217 . 1 1 23 23 ALA CA C 13 50.321 0.300 . 1 . . . . 23 ALA CA . 11140 1 218 . 1 1 23 23 ALA CB C 13 16.831 0.300 . 1 . . . . 23 ALA CB . 11140 1 219 . 1 1 23 23 ALA N N 15 124.336 0.300 . 1 . . . . 23 ALA N . 11140 1 220 . 1 1 24 24 ASN H H 1 8.291 0.030 . 1 . . . . 24 ASN H . 11140 1 221 . 1 1 24 24 ASN HA H 1 4.648 0.030 . 1 . . . . 24 ASN HA . 11140 1 222 . 1 1 24 24 ASN HB2 H 1 2.622 0.030 . 2 . . . . 24 ASN HB2 . 11140 1 223 . 1 1 24 24 ASN HB3 H 1 2.738 0.030 . 2 . . . . 24 ASN HB3 . 11140 1 224 . 1 1 24 24 ASN HD21 H 1 7.449 0.030 . 2 . . . . 24 ASN HD21 . 11140 1 225 . 1 1 24 24 ASN HD22 H 1 6.790 0.030 . 2 . . . . 24 ASN HD22 . 11140 1 226 . 1 1 24 24 ASN C C 13 172.836 0.300 . 1 . . . . 24 ASN C . 11140 1 227 . 1 1 24 24 ASN CA C 13 50.944 0.300 . 1 . . . . 24 ASN CA . 11140 1 228 . 1 1 24 24 ASN CB C 13 36.563 0.300 . 1 . . . . 24 ASN CB . 11140 1 229 . 1 1 24 24 ASN N N 15 117.132 0.300 . 1 . . . . 24 ASN N . 11140 1 230 . 1 1 24 24 ASN ND2 N 15 112.589 0.300 . 1 . . . . 24 ASN ND2 . 11140 1 231 . 1 1 25 25 SER H H 1 8.048 0.030 . 1 . . . . 25 SER H . 11140 1 232 . 1 1 25 25 SER HA H 1 4.409 0.030 . 1 . . . . 25 SER HA . 11140 1 233 . 1 1 25 25 SER HB2 H 1 3.801 0.030 . 1 . . . . 25 SER HB2 . 11140 1 234 . 1 1 25 25 SER HB3 H 1 3.801 0.030 . 1 . . . . 25 SER HB3 . 11140 1 235 . 1 1 25 25 SER CA C 13 56.090 0.300 . 1 . . . . 25 SER CA . 11140 1 236 . 1 1 25 25 SER CB C 13 61.722 0.300 . 1 . . . . 25 SER CB . 11140 1 237 . 1 1 25 25 SER N N 15 115.246 0.300 . 1 . . . . 25 SER N . 11140 1 238 . 1 1 26 26 PHE H H 1 8.342 0.030 . 1 . . . . 26 PHE H . 11140 1 239 . 1 1 26 26 PHE HA H 1 4.735 0.030 . 1 . . . . 26 PHE HA . 11140 1 240 . 1 1 26 26 PHE HB2 H 1 2.877 0.030 . 1 . . . . 26 PHE HB2 . 11140 1 241 . 1 1 26 26 PHE HB3 H 1 2.877 0.030 . 1 . . . . 26 PHE HB3 . 11140 1 242 . 1 1 26 26 PHE HD1 H 1 7.004 0.030 . 1 . . . . 26 PHE HD1 . 11140 1 243 . 1 1 26 26 PHE HD2 H 1 7.004 0.030 . 1 . . . . 26 PHE HD2 . 11140 1 244 . 1 1 26 26 PHE HE1 H 1 7.212 0.030 . 1 . . . . 26 PHE HE1 . 11140 1 245 . 1 1 26 26 PHE HE2 H 1 7.212 0.030 . 1 . . . . 26 PHE HE2 . 11140 1 246 . 1 1 26 26 PHE HZ H 1 7.179 0.030 . 1 . . . . 26 PHE HZ . 11140 1 247 . 1 1 26 26 PHE C C 13 172.508 0.300 . 1 . . . . 26 PHE C . 11140 1 248 . 1 1 26 26 PHE CA C 13 54.956 0.300 . 1 . . . . 26 PHE CA . 11140 1 249 . 1 1 26 26 PHE CB C 13 39.035 0.300 . 1 . . . . 26 PHE CB . 11140 1 250 . 1 1 26 26 PHE CD1 C 13 128.901 0.300 . 1 . . . . 26 PHE CD1 . 11140 1 251 . 1 1 26 26 PHE CD2 C 13 128.901 0.300 . 1 . . . . 26 PHE CD2 . 11140 1 252 . 1 1 26 26 PHE CE1 C 13 128.999 0.300 . 1 . . . . 26 PHE CE1 . 11140 1 253 . 1 1 26 26 PHE CE2 C 13 128.999 0.300 . 1 . . . . 26 PHE CE2 . 11140 1 254 . 1 1 26 26 PHE CZ C 13 127.542 0.300 . 1 . . . . 26 PHE CZ . 11140 1 255 . 1 1 26 26 PHE N N 15 124.613 0.300 . 1 . . . . 26 PHE N . 11140 1 256 . 1 1 27 27 THR H H 1 8.613 0.030 . 1 . . . . 27 THR H . 11140 1 257 . 1 1 27 27 THR HA H 1 4.489 0.030 . 1 . . . . 27 THR HA . 11140 1 258 . 1 1 27 27 THR HB H 1 3.689 0.030 . 1 . . . . 27 THR HB . 11140 1 259 . 1 1 27 27 THR HG21 H 1 0.986 0.030 . 1 . . . . 27 THR HG2 . 11140 1 260 . 1 1 27 27 THR HG22 H 1 0.986 0.030 . 1 . . . . 27 THR HG2 . 11140 1 261 . 1 1 27 27 THR HG23 H 1 0.986 0.030 . 1 . . . . 27 THR HG2 . 11140 1 262 . 1 1 27 27 THR C C 13 168.693 0.300 . 1 . . . . 27 THR C . 11140 1 263 . 1 1 27 27 THR CA C 13 58.922 0.300 . 1 . . . . 27 THR CA . 11140 1 264 . 1 1 27 27 THR CB C 13 69.422 0.300 . 1 . . . . 27 THR CB . 11140 1 265 . 1 1 27 27 THR CG2 C 13 18.482 0.300 . 1 . . . . 27 THR CG2 . 11140 1 266 . 1 1 27 27 THR N N 15 119.371 0.300 . 1 . . . . 27 THR N . 11140 1 267 . 1 1 28 28 VAL H H 1 7.743 0.030 . 1 . . . . 28 VAL H . 11140 1 268 . 1 1 28 28 VAL HA H 1 4.976 0.030 . 1 . . . . 28 VAL HA . 11140 1 269 . 1 1 28 28 VAL HB H 1 1.830 0.030 . 1 . . . . 28 VAL HB . 11140 1 270 . 1 1 28 28 VAL HG11 H 1 0.811 0.030 . 1 . . . . 28 VAL HG1 . 11140 1 271 . 1 1 28 28 VAL HG12 H 1 0.811 0.030 . 1 . . . . 28 VAL HG1 . 11140 1 272 . 1 1 28 28 VAL HG13 H 1 0.811 0.030 . 1 . . . . 28 VAL HG1 . 11140 1 273 . 1 1 28 28 VAL HG21 H 1 0.867 0.030 . 1 . . . . 28 VAL HG2 . 11140 1 274 . 1 1 28 28 VAL HG22 H 1 0.867 0.030 . 1 . . . . 28 VAL HG2 . 11140 1 275 . 1 1 28 28 VAL HG23 H 1 0.867 0.030 . 1 . . . . 28 VAL HG2 . 11140 1 276 . 1 1 28 28 VAL C C 13 173.632 0.300 . 1 . . . . 28 VAL C . 11140 1 277 . 1 1 28 28 VAL CA C 13 58.234 0.300 . 1 . . . . 28 VAL CA . 11140 1 278 . 1 1 28 28 VAL CB C 13 31.768 0.300 . 1 . . . . 28 VAL CB . 11140 1 279 . 1 1 28 28 VAL CG1 C 13 18.550 0.300 . 2 . . . . 28 VAL CG1 . 11140 1 280 . 1 1 28 28 VAL CG2 C 13 18.706 0.300 . 2 . . . . 28 VAL CG2 . 11140 1 281 . 1 1 28 28 VAL N N 15 121.672 0.300 . 1 . . . . 28 VAL N . 11140 1 282 . 1 1 29 29 SER H H 1 9.270 0.030 . 1 . . . . 29 SER H . 11140 1 283 . 1 1 29 29 SER HA H 1 4.709 0.030 . 1 . . . . 29 SER HA . 11140 1 284 . 1 1 29 29 SER HB2 H 1 3.376 0.030 . 2 . . . . 29 SER HB2 . 11140 1 285 . 1 1 29 29 SER HB3 H 1 3.442 0.030 . 2 . . . . 29 SER HB3 . 11140 1 286 . 1 1 29 29 SER C C 13 170.636 0.300 . 1 . . . . 29 SER C . 11140 1 287 . 1 1 29 29 SER CA C 13 53.635 0.300 . 1 . . . . 29 SER CA . 11140 1 288 . 1 1 29 29 SER CB C 13 63.258 0.300 . 1 . . . . 29 SER CB . 11140 1 289 . 1 1 29 29 SER N N 15 121.600 0.300 . 1 . . . . 29 SER N . 11140 1 290 . 1 1 30 30 SER H H 1 8.241 0.030 . 1 . . . . 30 SER H . 11140 1 291 . 1 1 30 30 SER HA H 1 5.345 0.030 . 1 . . . . 30 SER HA . 11140 1 292 . 1 1 30 30 SER HB2 H 1 3.477 0.030 . 2 . . . . 30 SER HB2 . 11140 1 293 . 1 1 30 30 SER HB3 H 1 3.620 0.030 . 2 . . . . 30 SER HB3 . 11140 1 294 . 1 1 30 30 SER C C 13 170.584 0.300 . 1 . . . . 30 SER C . 11140 1 295 . 1 1 30 30 SER CA C 13 54.850 0.300 . 1 . . . . 30 SER CA . 11140 1 296 . 1 1 30 30 SER CB C 13 63.559 0.300 . 1 . . . . 30 SER CB . 11140 1 297 . 1 1 30 30 SER N N 15 115.567 0.300 . 1 . . . . 30 SER N . 11140 1 298 . 1 1 31 31 VAL H H 1 8.940 0.030 . 1 . . . . 31 VAL H . 11140 1 299 . 1 1 31 31 VAL HA H 1 4.088 0.030 . 1 . . . . 31 VAL HA . 11140 1 300 . 1 1 31 31 VAL HB H 1 1.607 0.030 . 1 . . . . 31 VAL HB . 11140 1 301 . 1 1 31 31 VAL HG11 H 1 0.758 0.030 . 1 . . . . 31 VAL HG1 . 11140 1 302 . 1 1 31 31 VAL HG12 H 1 0.758 0.030 . 1 . . . . 31 VAL HG1 . 11140 1 303 . 1 1 31 31 VAL HG13 H 1 0.758 0.030 . 1 . . . . 31 VAL HG1 . 11140 1 304 . 1 1 31 31 VAL HG21 H 1 0.713 0.030 . 1 . . . . 31 VAL HG2 . 11140 1 305 . 1 1 31 31 VAL HG22 H 1 0.713 0.030 . 1 . . . . 31 VAL HG2 . 11140 1 306 . 1 1 31 31 VAL HG23 H 1 0.713 0.030 . 1 . . . . 31 VAL HG2 . 11140 1 307 . 1 1 31 31 VAL C C 13 172.298 0.300 . 1 . . . . 31 VAL C . 11140 1 308 . 1 1 31 31 VAL CA C 13 58.164 0.300 . 1 . . . . 31 VAL CA . 11140 1 309 . 1 1 31 31 VAL CB C 13 33.214 0.300 . 1 . . . . 31 VAL CB . 11140 1 310 . 1 1 31 31 VAL CG1 C 13 18.817 0.300 . 2 . . . . 31 VAL CG1 . 11140 1 311 . 1 1 31 31 VAL CG2 C 13 19.418 0.300 . 2 . . . . 31 VAL CG2 . 11140 1 312 . 1 1 31 31 VAL N N 15 121.803 0.300 . 1 . . . . 31 VAL N . 11140 1 313 . 1 1 32 32 ALA H H 1 8.485 0.030 . 1 . . . . 32 ALA H . 11140 1 314 . 1 1 32 32 ALA HA H 1 4.280 0.030 . 1 . . . . 32 ALA HA . 11140 1 315 . 1 1 32 32 ALA HB1 H 1 1.278 0.030 . 1 . . . . 32 ALA HB . 11140 1 316 . 1 1 32 32 ALA HB2 H 1 1.278 0.030 . 1 . . . . 32 ALA HB . 11140 1 317 . 1 1 32 32 ALA HB3 H 1 1.278 0.030 . 1 . . . . 32 ALA HB . 11140 1 318 . 1 1 32 32 ALA C C 13 174.178 0.300 . 1 . . . . 32 ALA C . 11140 1 319 . 1 1 32 32 ALA CA C 13 50.394 0.300 . 1 . . . . 32 ALA CA . 11140 1 320 . 1 1 32 32 ALA CB C 13 16.192 0.300 . 1 . . . . 32 ALA CB . 11140 1 321 . 1 1 32 32 ALA N N 15 129.848 0.300 . 1 . . . . 32 ALA N . 11140 1 322 . 1 1 33 33 ALA H H 1 7.720 0.030 . 1 . . . . 33 ALA H . 11140 1 323 . 1 1 33 33 ALA HA H 1 4.474 0.030 . 1 . . . . 33 ALA HA . 11140 1 324 . 1 1 33 33 ALA HB1 H 1 0.854 0.030 . 1 . . . . 33 ALA HB . 11140 1 325 . 1 1 33 33 ALA HB2 H 1 0.854 0.030 . 1 . . . . 33 ALA HB . 11140 1 326 . 1 1 33 33 ALA HB3 H 1 0.854 0.030 . 1 . . . . 33 ALA HB . 11140 1 327 . 1 1 33 33 ALA C C 13 169.801 0.300 . 1 . . . . 33 ALA C . 11140 1 328 . 1 1 33 33 ALA CA C 13 46.778 0.300 . 1 . . . . 33 ALA CA . 11140 1 329 . 1 1 33 33 ALA CB C 13 18.124 0.300 . 1 . . . . 33 ALA CB . 11140 1 330 . 1 1 33 33 ALA N N 15 123.474 0.300 . 1 . . . . 33 ALA N . 11140 1 331 . 1 1 34 34 PRO HA H 1 4.080 0.030 . 1 . . . . 34 PRO HA . 11140 1 332 . 1 1 34 34 PRO HB2 H 1 2.190 0.030 . 2 . . . . 34 PRO HB2 . 11140 1 333 . 1 1 34 34 PRO HB3 H 1 1.110 0.030 . 2 . . . . 34 PRO HB3 . 11140 1 334 . 1 1 34 34 PRO HD2 H 1 3.589 0.030 . 2 . . . . 34 PRO HD2 . 11140 1 335 . 1 1 34 34 PRO HD3 H 1 3.074 0.030 . 2 . . . . 34 PRO HD3 . 11140 1 336 . 1 1 34 34 PRO HG2 H 1 1.902 0.030 . 2 . . . . 34 PRO HG2 . 11140 1 337 . 1 1 34 34 PRO HG3 H 1 1.633 0.030 . 2 . . . . 34 PRO HG3 . 11140 1 338 . 1 1 34 34 PRO CA C 13 60.354 0.300 . 1 . . . . 34 PRO CA . 11140 1 339 . 1 1 34 34 PRO CB C 13 30.101 0.300 . 1 . . . . 34 PRO CB . 11140 1 340 . 1 1 34 34 PRO CD C 13 47.929 0.300 . 1 . . . . 34 PRO CD . 11140 1 341 . 1 1 34 34 PRO CG C 13 25.143 0.300 . 1 . . . . 34 PRO CG . 11140 1 342 . 1 1 35 35 SER H H 1 8.788 0.030 . 1 . . . . 35 SER H . 11140 1 343 . 1 1 35 35 SER HA H 1 2.671 0.030 . 1 . . . . 35 SER HA . 11140 1 344 . 1 1 35 35 SER HB2 H 1 3.671 0.030 . 2 . . . . 35 SER HB2 . 11140 1 345 . 1 1 35 35 SER HB3 H 1 3.791 0.030 . 2 . . . . 35 SER HB3 . 11140 1 346 . 1 1 35 35 SER C C 13 174.722 0.300 . 1 . . . . 35 SER C . 11140 1 347 . 1 1 35 35 SER CA C 13 59.105 0.300 . 1 . . . . 35 SER CA . 11140 1 348 . 1 1 35 35 SER CB C 13 60.426 0.300 . 1 . . . . 35 SER CB . 11140 1 349 . 1 1 35 35 SER N N 15 118.493 0.300 . 1 . . . . 35 SER N . 11140 1 350 . 1 1 36 36 TRP H H 1 7.617 0.030 . 1 . . . . 36 TRP H . 11140 1 351 . 1 1 36 36 TRP HA H 1 4.397 0.030 . 1 . . . . 36 TRP HA . 11140 1 352 . 1 1 36 36 TRP HB2 H 1 3.563 0.030 . 2 . . . . 36 TRP HB2 . 11140 1 353 . 1 1 36 36 TRP HB3 H 1 3.138 0.030 . 2 . . . . 36 TRP HB3 . 11140 1 354 . 1 1 36 36 TRP HD1 H 1 7.402 0.030 . 1 . . . . 36 TRP HD1 . 11140 1 355 . 1 1 36 36 TRP HE1 H 1 10.413 0.030 . 1 . . . . 36 TRP HE1 . 11140 1 356 . 1 1 36 36 TRP HE3 H 1 7.437 0.030 . 1 . . . . 36 TRP HE3 . 11140 1 357 . 1 1 36 36 TRP HH2 H 1 7.004 0.030 . 1 . . . . 36 TRP HH2 . 11140 1 358 . 1 1 36 36 TRP HZ2 H 1 7.344 0.030 . 1 . . . . 36 TRP HZ2 . 11140 1 359 . 1 1 36 36 TRP HZ3 H 1 6.807 0.030 . 1 . . . . 36 TRP HZ3 . 11140 1 360 . 1 1 36 36 TRP C C 13 174.461 0.300 . 1 . . . . 36 TRP C . 11140 1 361 . 1 1 36 36 TRP CA C 13 55.803 0.300 . 1 . . . . 36 TRP CA . 11140 1 362 . 1 1 36 36 TRP CB C 13 25.171 0.300 . 1 . . . . 36 TRP CB . 11140 1 363 . 1 1 36 36 TRP CD1 C 13 125.663 0.300 . 1 . . . . 36 TRP CD1 . 11140 1 364 . 1 1 36 36 TRP CE3 C 13 118.670 0.300 . 1 . . . . 36 TRP CE3 . 11140 1 365 . 1 1 36 36 TRP CH2 C 13 122.532 0.300 . 1 . . . . 36 TRP CH2 . 11140 1 366 . 1 1 36 36 TRP CZ2 C 13 112.230 0.300 . 1 . . . . 36 TRP CZ2 . 11140 1 367 . 1 1 36 36 TRP CZ3 C 13 119.846 0.300 . 1 . . . . 36 TRP CZ3 . 11140 1 368 . 1 1 36 36 TRP N N 15 118.948 0.300 . 1 . . . . 36 TRP N . 11140 1 369 . 1 1 36 36 TRP NE1 N 15 130.267 0.300 . 1 . . . . 36 TRP NE1 . 11140 1 370 . 1 1 37 37 LEU H H 1 7.264 0.030 . 1 . . . . 37 LEU H . 11140 1 371 . 1 1 37 37 LEU HA H 1 4.291 0.030 . 1 . . . . 37 LEU HA . 11140 1 372 . 1 1 37 37 LEU HB2 H 1 1.120 0.030 . 2 . . . . 37 LEU HB2 . 11140 1 373 . 1 1 37 37 LEU HB3 H 1 0.835 0.030 . 2 . . . . 37 LEU HB3 . 11140 1 374 . 1 1 37 37 LEU HD11 H 1 0.487 0.030 . 1 . . . . 37 LEU HD1 . 11140 1 375 . 1 1 37 37 LEU HD12 H 1 0.487 0.030 . 1 . . . . 37 LEU HD1 . 11140 1 376 . 1 1 37 37 LEU HD13 H 1 0.487 0.030 . 1 . . . . 37 LEU HD1 . 11140 1 377 . 1 1 37 37 LEU HD21 H 1 0.362 0.030 . 1 . . . . 37 LEU HD2 . 11140 1 378 . 1 1 37 37 LEU HD22 H 1 0.362 0.030 . 1 . . . . 37 LEU HD2 . 11140 1 379 . 1 1 37 37 LEU HD23 H 1 0.362 0.030 . 1 . . . . 37 LEU HD2 . 11140 1 380 . 1 1 37 37 LEU HG H 1 0.811 0.030 . 1 . . . . 37 LEU HG . 11140 1 381 . 1 1 37 37 LEU C C 13 176.558 0.300 . 1 . . . . 37 LEU C . 11140 1 382 . 1 1 37 37 LEU CA C 13 52.257 0.300 . 1 . . . . 37 LEU CA . 11140 1 383 . 1 1 37 37 LEU CB C 13 39.719 0.300 . 1 . . . . 37 LEU CB . 11140 1 384 . 1 1 37 37 LEU CD1 C 13 23.309 0.300 . 2 . . . . 37 LEU CD1 . 11140 1 385 . 1 1 37 37 LEU CD2 C 13 23.930 0.300 . 2 . . . . 37 LEU CD2 . 11140 1 386 . 1 1 37 37 LEU CG C 13 23.882 0.300 . 1 . . . . 37 LEU CG . 11140 1 387 . 1 1 37 37 LEU N N 15 116.894 0.300 . 1 . . . . 37 LEU N . 11140 1 388 . 1 1 38 38 HIS H H 1 7.728 0.030 . 1 . . . . 38 HIS H . 11140 1 389 . 1 1 38 38 HIS HA H 1 3.814 0.030 . 1 . . . . 38 HIS HA . 11140 1 390 . 1 1 38 38 HIS HB2 H 1 3.020 0.030 . 2 . . . . 38 HIS HB2 . 11140 1 391 . 1 1 38 38 HIS HB3 H 1 2.800 0.030 . 2 . . . . 38 HIS HB3 . 11140 1 392 . 1 1 38 38 HIS HD2 H 1 6.070 0.030 . 1 . . . . 38 HIS HD2 . 11140 1 393 . 1 1 38 38 HIS HE1 H 1 7.759 0.030 . 1 . . . . 38 HIS HE1 . 11140 1 394 . 1 1 38 38 HIS C C 13 175.183 0.300 . 1 . . . . 38 HIS C . 11140 1 395 . 1 1 38 38 HIS CA C 13 58.305 0.300 . 1 . . . . 38 HIS CA . 11140 1 396 . 1 1 38 38 HIS CB C 13 28.542 0.300 . 1 . . . . 38 HIS CB . 11140 1 397 . 1 1 38 38 HIS CD2 C 13 113.779 0.300 . 1 . . . . 38 HIS CD2 . 11140 1 398 . 1 1 38 38 HIS CE1 C 13 136.406 0.300 . 1 . . . . 38 HIS CE1 . 11140 1 399 . 1 1 38 38 HIS N N 15 121.154 0.300 . 1 . . . . 38 HIS N . 11140 1 400 . 1 1 39 39 ARG H H 1 8.496 0.030 . 1 . . . . 39 ARG H . 11140 1 401 . 1 1 39 39 ARG HA H 1 3.866 0.030 . 1 . . . . 39 ARG HA . 11140 1 402 . 1 1 39 39 ARG HB2 H 1 1.566 0.030 . 2 . . . . 39 ARG HB2 . 11140 1 403 . 1 1 39 39 ARG HB3 H 1 1.486 0.030 . 2 . . . . 39 ARG HB3 . 11140 1 404 . 1 1 39 39 ARG HD2 H 1 2.876 0.030 . 1 . . . . 39 ARG HD2 . 11140 1 405 . 1 1 39 39 ARG HD3 H 1 2.876 0.030 . 1 . . . . 39 ARG HD3 . 11140 1 406 . 1 1 39 39 ARG HG2 H 1 1.186 0.030 . 2 . . . . 39 ARG HG2 . 11140 1 407 . 1 1 39 39 ARG HG3 H 1 0.638 0.030 . 2 . . . . 39 ARG HG3 . 11140 1 408 . 1 1 39 39 ARG C C 13 175.654 0.300 . 1 . . . . 39 ARG C . 11140 1 409 . 1 1 39 39 ARG CA C 13 56.007 0.300 . 1 . . . . 39 ARG CA . 11140 1 410 . 1 1 39 39 ARG CB C 13 26.388 0.300 . 1 . . . . 39 ARG CB . 11140 1 411 . 1 1 39 39 ARG CD C 13 41.012 0.300 . 1 . . . . 39 ARG CD . 11140 1 412 . 1 1 39 39 ARG CG C 13 23.471 0.300 . 1 . . . . 39 ARG CG . 11140 1 413 . 1 1 39 39 ARG N N 15 114.339 0.300 . 1 . . . . 39 ARG N . 11140 1 414 . 1 1 40 40 PHE H H 1 7.294 0.030 . 1 . . . . 40 PHE H . 11140 1 415 . 1 1 40 40 PHE HA H 1 4.372 0.030 . 1 . . . . 40 PHE HA . 11140 1 416 . 1 1 40 40 PHE HB2 H 1 3.196 0.030 . 2 . . . . 40 PHE HB2 . 11140 1 417 . 1 1 40 40 PHE HB3 H 1 2.935 0.030 . 2 . . . . 40 PHE HB3 . 11140 1 418 . 1 1 40 40 PHE HD1 H 1 7.259 0.030 . 1 . . . . 40 PHE HD1 . 11140 1 419 . 1 1 40 40 PHE HD2 H 1 7.259 0.030 . 1 . . . . 40 PHE HD2 . 11140 1 420 . 1 1 40 40 PHE HE1 H 1 7.457 0.030 . 1 . . . . 40 PHE HE1 . 11140 1 421 . 1 1 40 40 PHE HE2 H 1 7.457 0.030 . 1 . . . . 40 PHE HE2 . 11140 1 422 . 1 1 40 40 PHE HZ H 1 7.373 0.030 . 1 . . . . 40 PHE HZ . 11140 1 423 . 1 1 40 40 PHE C C 13 174.721 0.300 . 1 . . . . 40 PHE C . 11140 1 424 . 1 1 40 40 PHE CA C 13 57.117 0.300 . 1 . . . . 40 PHE CA . 11140 1 425 . 1 1 40 40 PHE CB C 13 37.335 0.300 . 1 . . . . 40 PHE CB . 11140 1 426 . 1 1 40 40 PHE CD1 C 13 129.149 0.300 . 1 . . . . 40 PHE CD1 . 11140 1 427 . 1 1 40 40 PHE CD2 C 13 129.149 0.300 . 1 . . . . 40 PHE CD2 . 11140 1 428 . 1 1 40 40 PHE CE1 C 13 129.433 0.300 . 1 . . . . 40 PHE CE1 . 11140 1 429 . 1 1 40 40 PHE CE2 C 13 129.433 0.300 . 1 . . . . 40 PHE CE2 . 11140 1 430 . 1 1 40 40 PHE CZ C 13 128.063 0.300 . 1 . . . . 40 PHE CZ . 11140 1 431 . 1 1 40 40 PHE N N 15 118.848 0.300 . 1 . . . . 40 PHE N . 11140 1 432 . 1 1 41 41 ILE H H 1 7.627 0.030 . 1 . . . . 41 ILE H . 11140 1 433 . 1 1 41 41 ILE HA H 1 3.705 0.030 . 1 . . . . 41 ILE HA . 11140 1 434 . 1 1 41 41 ILE HB H 1 1.866 0.030 . 1 . . . . 41 ILE HB . 11140 1 435 . 1 1 41 41 ILE HD11 H 1 0.567 0.030 . 1 . . . . 41 ILE HD1 . 11140 1 436 . 1 1 41 41 ILE HD12 H 1 0.567 0.030 . 1 . . . . 41 ILE HD1 . 11140 1 437 . 1 1 41 41 ILE HD13 H 1 0.567 0.030 . 1 . . . . 41 ILE HD1 . 11140 1 438 . 1 1 41 41 ILE HG12 H 1 1.039 0.030 . 2 . . . . 41 ILE HG12 . 11140 1 439 . 1 1 41 41 ILE HG13 H 1 1.458 0.030 . 2 . . . . 41 ILE HG13 . 11140 1 440 . 1 1 41 41 ILE HG21 H 1 0.770 0.030 . 1 . . . . 41 ILE HG2 . 11140 1 441 . 1 1 41 41 ILE HG22 H 1 0.770 0.030 . 1 . . . . 41 ILE HG2 . 11140 1 442 . 1 1 41 41 ILE HG23 H 1 0.770 0.030 . 1 . . . . 41 ILE HG2 . 11140 1 443 . 1 1 41 41 ILE C C 13 173.890 0.300 . 1 . . . . 41 ILE C . 11140 1 444 . 1 1 41 41 ILE CA C 13 61.267 0.300 . 1 . . . . 41 ILE CA . 11140 1 445 . 1 1 41 41 ILE CB C 13 35.648 0.300 . 1 . . . . 41 ILE CB . 11140 1 446 . 1 1 41 41 ILE CD1 C 13 11.135 0.300 . 1 . . . . 41 ILE CD1 . 11140 1 447 . 1 1 41 41 ILE CG1 C 13 25.906 0.300 . 1 . . . . 41 ILE CG1 . 11140 1 448 . 1 1 41 41 ILE CG2 C 13 14.907 0.300 . 1 . . . . 41 ILE CG2 . 11140 1 449 . 1 1 41 41 ILE N N 15 118.706 0.300 . 1 . . . . 41 ILE N . 11140 1 450 . 1 1 42 42 ILE H H 1 7.651 0.030 . 1 . . . . 42 ILE H . 11140 1 451 . 1 1 42 42 ILE HA H 1 3.648 0.030 . 1 . . . . 42 ILE HA . 11140 1 452 . 1 1 42 42 ILE HB H 1 1.419 0.030 . 1 . . . . 42 ILE HB . 11140 1 453 . 1 1 42 42 ILE HD11 H 1 0.248 0.030 . 1 . . . . 42 ILE HD1 . 11140 1 454 . 1 1 42 42 ILE HD12 H 1 0.248 0.030 . 1 . . . . 42 ILE HD1 . 11140 1 455 . 1 1 42 42 ILE HD13 H 1 0.248 0.030 . 1 . . . . 42 ILE HD1 . 11140 1 456 . 1 1 42 42 ILE HG12 H 1 1.055 0.030 . 2 . . . . 42 ILE HG12 . 11140 1 457 . 1 1 42 42 ILE HG13 H 1 0.587 0.030 . 2 . . . . 42 ILE HG13 . 11140 1 458 . 1 1 42 42 ILE HG21 H 1 0.750 0.030 . 1 . . . . 42 ILE HG2 . 11140 1 459 . 1 1 42 42 ILE HG22 H 1 0.750 0.030 . 1 . . . . 42 ILE HG2 . 11140 1 460 . 1 1 42 42 ILE HG23 H 1 0.750 0.030 . 1 . . . . 42 ILE HG2 . 11140 1 461 . 1 1 42 42 ILE C C 13 175.718 0.300 . 1 . . . . 42 ILE C . 11140 1 462 . 1 1 42 42 ILE CA C 13 61.549 0.300 . 1 . . . . 42 ILE CA . 11140 1 463 . 1 1 42 42 ILE CB C 13 36.536 0.300 . 1 . . . . 42 ILE CB . 11140 1 464 . 1 1 42 42 ILE CD1 C 13 10.383 0.300 . 1 . . . . 42 ILE CD1 . 11140 1 465 . 1 1 42 42 ILE CG1 C 13 26.388 0.300 . 1 . . . . 42 ILE CG1 . 11140 1 466 . 1 1 42 42 ILE CG2 C 13 15.321 0.300 . 1 . . . . 42 ILE CG2 . 11140 1 467 . 1 1 42 42 ILE N N 15 116.765 0.300 . 1 . . . . 42 ILE N . 11140 1 468 . 1 1 43 43 GLY H H 1 7.386 0.030 . 1 . . . . 43 GLY H . 11140 1 469 . 1 1 43 43 GLY HA2 H 1 3.826 0.030 . 2 . . . . 43 GLY HA2 . 11140 1 470 . 1 1 43 43 GLY HA3 H 1 3.914 0.030 . 2 . . . . 43 GLY HA3 . 11140 1 471 . 1 1 43 43 GLY C C 13 172.059 0.300 . 1 . . . . 43 GLY C . 11140 1 472 . 1 1 43 43 GLY CA C 13 42.194 0.300 . 1 . . . . 43 GLY CA . 11140 1 473 . 1 1 43 43 GLY N N 15 105.629 0.300 . 1 . . . . 43 GLY N . 11140 1 474 . 1 1 44 44 LYS HA H 1 4.083 0.030 . 1 . . . . 44 LYS HA . 11140 1 475 . 1 1 44 44 LYS HB2 H 1 1.725 0.030 . 1 . . . . 44 LYS HB2 . 11140 1 476 . 1 1 44 44 LYS HB3 H 1 1.725 0.030 . 1 . . . . 44 LYS HB3 . 11140 1 477 . 1 1 44 44 LYS HD2 H 1 1.598 0.030 . 1 . . . . 44 LYS HD2 . 11140 1 478 . 1 1 44 44 LYS HD3 H 1 1.598 0.030 . 1 . . . . 44 LYS HD3 . 11140 1 479 . 1 1 44 44 LYS HE2 H 1 2.895 0.030 . 1 . . . . 44 LYS HE2 . 11140 1 480 . 1 1 44 44 LYS HE3 H 1 2.895 0.030 . 1 . . . . 44 LYS HE3 . 11140 1 481 . 1 1 44 44 LYS HG2 H 1 1.417 0.030 . 2 . . . . 44 LYS HG2 . 11140 1 482 . 1 1 44 44 LYS HG3 H 1 1.316 0.030 . 2 . . . . 44 LYS HG3 . 11140 1 483 . 1 1 44 44 LYS CA C 13 55.561 0.300 . 1 . . . . 44 LYS CA . 11140 1 484 . 1 1 44 44 LYS CB C 13 29.964 0.300 . 1 . . . . 44 LYS CB . 11140 1 485 . 1 1 44 44 LYS CD C 13 27.000 0.300 . 1 . . . . 44 LYS CD . 11140 1 486 . 1 1 44 44 LYS CE C 13 39.667 0.300 . 1 . . . . 44 LYS CE . 11140 1 487 . 1 1 44 44 LYS CG C 13 22.500 0.300 . 1 . . . . 44 LYS CG . 11140 1 488 . 1 1 45 45 LYS HA H 1 4.118 0.030 . 1 . . . . 45 LYS HA . 11140 1 489 . 1 1 45 45 LYS HB2 H 1 1.727 0.030 . 2 . . . . 45 LYS HB2 . 11140 1 490 . 1 1 45 45 LYS HB3 H 1 1.948 0.030 . 2 . . . . 45 LYS HB3 . 11140 1 491 . 1 1 45 45 LYS HD2 H 1 1.555 0.030 . 2 . . . . 45 LYS HD2 . 11140 1 492 . 1 1 45 45 LYS HD3 H 1 1.587 0.030 . 2 . . . . 45 LYS HD3 . 11140 1 493 . 1 1 45 45 LYS HE2 H 1 2.878 0.030 . 2 . . . . 45 LYS HE2 . 11140 1 494 . 1 1 45 45 LYS HG2 H 1 1.321 0.030 . 1 . . . . 45 LYS HG2 . 11140 1 495 . 1 1 45 45 LYS HG3 H 1 1.321 0.030 . 1 . . . . 45 LYS HG3 . 11140 1 496 . 1 1 45 45 LYS C C 13 174.545 0.300 . 1 . . . . 45 LYS C . 11140 1 497 . 1 1 45 45 LYS CA C 13 53.898 0.300 . 1 . . . . 45 LYS CA . 11140 1 498 . 1 1 45 45 LYS CB C 13 29.011 0.300 . 1 . . . . 45 LYS CB . 11140 1 499 . 1 1 45 45 LYS CD C 13 26.594 0.300 . 1 . . . . 45 LYS CD . 11140 1 500 . 1 1 45 45 LYS CE C 13 39.777 0.300 . 1 . . . . 45 LYS CE . 11140 1 501 . 1 1 45 45 LYS CG C 13 22.722 0.300 . 1 . . . . 45 LYS CG . 11140 1 502 . 1 1 46 46 GLY H H 1 7.826 0.030 . 1 . . . . 46 GLY H . 11140 1 503 . 1 1 46 46 GLY HA2 H 1 3.923 0.030 . 2 . . . . 46 GLY HA2 . 11140 1 504 . 1 1 46 46 GLY HA3 H 1 3.636 0.030 . 2 . . . . 46 GLY HA3 . 11140 1 505 . 1 1 46 46 GLY C C 13 174.414 0.300 . 1 . . . . 46 GLY C . 11140 1 506 . 1 1 46 46 GLY CA C 13 43.909 0.300 . 1 . . . . 46 GLY CA . 11140 1 507 . 1 1 46 46 GLY N N 15 106.630 0.300 . 1 . . . . 46 GLY N . 11140 1 508 . 1 1 47 47 GLN HA H 1 4.087 0.030 . 1 . . . . 47 GLN HA . 11140 1 509 . 1 1 47 47 GLN HB2 H 1 2.022 0.030 . 2 . . . . 47 GLN HB2 . 11140 1 510 . 1 1 47 47 GLN HB3 H 1 1.606 0.030 . 2 . . . . 47 GLN HB3 . 11140 1 511 . 1 1 47 47 GLN HE21 H 1 7.410 0.030 . 2 . . . . 47 GLN HE21 . 11140 1 512 . 1 1 47 47 GLN HE22 H 1 6.820 0.030 . 2 . . . . 47 GLN HE22 . 11140 1 513 . 1 1 47 47 GLN HG2 H 1 2.331 0.030 . 1 . . . . 47 GLN HG2 . 11140 1 514 . 1 1 47 47 GLN HG3 H 1 2.331 0.030 . 1 . . . . 47 GLN HG3 . 11140 1 515 . 1 1 47 47 GLN C C 13 174.860 0.300 . 1 . . . . 47 GLN C . 11140 1 516 . 1 1 47 47 GLN CA C 13 55.596 0.300 . 1 . . . . 47 GLN CA . 11140 1 517 . 1 1 47 47 GLN CB C 13 26.429 0.300 . 1 . . . . 47 GLN CB . 11140 1 518 . 1 1 47 47 GLN CG C 13 31.417 0.300 . 1 . . . . 47 GLN CG . 11140 1 519 . 1 1 47 47 GLN NE2 N 15 111.464 0.300 . 1 . . . . 47 GLN NE2 . 11140 1 520 . 1 1 48 48 ASN H H 1 7.969 0.030 . 1 . . . . 48 ASN H . 11140 1 521 . 1 1 48 48 ASN HA H 1 4.532 0.030 . 1 . . . . 48 ASN HA . 11140 1 522 . 1 1 48 48 ASN HB2 H 1 2.724 0.030 . 1 . . . . 48 ASN HB2 . 11140 1 523 . 1 1 48 48 ASN HB3 H 1 2.724 0.030 . 1 . . . . 48 ASN HB3 . 11140 1 524 . 1 1 48 48 ASN HD21 H 1 6.859 0.030 . 2 . . . . 48 ASN HD21 . 11140 1 525 . 1 1 48 48 ASN HD22 H 1 7.465 0.030 . 2 . . . . 48 ASN HD22 . 11140 1 526 . 1 1 48 48 ASN C C 13 174.678 0.300 . 1 . . . . 48 ASN C . 11140 1 527 . 1 1 48 48 ASN CA C 13 52.894 0.300 . 1 . . . . 48 ASN CA . 11140 1 528 . 1 1 48 48 ASN CB C 13 35.590 0.300 . 1 . . . . 48 ASN CB . 11140 1 529 . 1 1 48 48 ASN N N 15 118.389 0.300 . 1 . . . . 48 ASN N . 11140 1 530 . 1 1 48 48 ASN ND2 N 15 112.276 0.300 . 1 . . . . 48 ASN ND2 . 11140 1 531 . 1 1 49 49 LEU H H 1 7.898 0.030 . 1 . . . . 49 LEU H . 11140 1 532 . 1 1 49 49 LEU HA H 1 4.026 0.030 . 1 . . . . 49 LEU HA . 11140 1 533 . 1 1 49 49 LEU HB2 H 1 1.665 0.030 . 2 . . . . 49 LEU HB2 . 11140 1 534 . 1 1 49 49 LEU HB3 H 1 1.540 0.030 . 2 . . . . 49 LEU HB3 . 11140 1 535 . 1 1 49 49 LEU HD11 H 1 0.766 0.030 . 1 . . . . 49 LEU HD1 . 11140 1 536 . 1 1 49 49 LEU HD12 H 1 0.766 0.030 . 1 . . . . 49 LEU HD1 . 11140 1 537 . 1 1 49 49 LEU HD13 H 1 0.766 0.030 . 1 . . . . 49 LEU HD1 . 11140 1 538 . 1 1 49 49 LEU HD21 H 1 0.801 0.030 . 1 . . . . 49 LEU HD2 . 11140 1 539 . 1 1 49 49 LEU HD22 H 1 0.801 0.030 . 1 . . . . 49 LEU HD2 . 11140 1 540 . 1 1 49 49 LEU HD23 H 1 0.801 0.030 . 1 . . . . 49 LEU HD2 . 11140 1 541 . 1 1 49 49 LEU HG H 1 1.633 0.030 . 1 . . . . 49 LEU HG . 11140 1 542 . 1 1 49 49 LEU C C 13 175.995 0.300 . 1 . . . . 49 LEU C . 11140 1 543 . 1 1 49 49 LEU CA C 13 54.662 0.300 . 1 . . . . 49 LEU CA . 11140 1 544 . 1 1 49 49 LEU CB C 13 39.615 0.300 . 1 . . . . 49 LEU CB . 11140 1 545 . 1 1 49 49 LEU CD1 C 13 22.241 0.300 . 2 . . . . 49 LEU CD1 . 11140 1 546 . 1 1 49 49 LEU CD2 C 13 22.119 0.300 . 2 . . . . 49 LEU CD2 . 11140 1 547 . 1 1 49 49 LEU CG C 13 24.620 0.300 . 1 . . . . 49 LEU CG . 11140 1 548 . 1 1 49 49 LEU N N 15 119.757 0.300 . 1 . . . . 49 LEU N . 11140 1 549 . 1 1 50 50 ALA H H 1 7.863 0.030 . 1 . . . . 50 ALA H . 11140 1 550 . 1 1 50 50 ALA HA H 1 4.066 0.030 . 1 . . . . 50 ALA HA . 11140 1 551 . 1 1 50 50 ALA HB1 H 1 1.346 0.030 . 1 . . . . 50 ALA HB . 11140 1 552 . 1 1 50 50 ALA HB2 H 1 1.346 0.030 . 1 . . . . 50 ALA HB . 11140 1 553 . 1 1 50 50 ALA HB3 H 1 1.346 0.030 . 1 . . . . 50 ALA HB . 11140 1 554 . 1 1 50 50 ALA C C 13 177.173 0.300 . 1 . . . . 50 ALA C . 11140 1 555 . 1 1 50 50 ALA CA C 13 52.401 0.300 . 1 . . . . 50 ALA CA . 11140 1 556 . 1 1 50 50 ALA CB C 13 15.658 0.300 . 1 . . . . 50 ALA CB . 11140 1 557 . 1 1 50 50 ALA N N 15 120.704 0.300 . 1 . . . . 50 ALA N . 11140 1 558 . 1 1 51 51 LYS H H 1 7.506 0.030 . 1 . . . . 51 LYS H . 11140 1 559 . 1 1 51 51 LYS HA H 1 3.963 0.030 . 1 . . . . 51 LYS HA . 11140 1 560 . 1 1 51 51 LYS HB2 H 1 1.827 0.030 . 1 . . . . 51 LYS HB2 . 11140 1 561 . 1 1 51 51 LYS HB3 H 1 1.827 0.030 . 1 . . . . 51 LYS HB3 . 11140 1 562 . 1 1 51 51 LYS HD2 H 1 1.603 0.030 . 1 . . . . 51 LYS HD2 . 11140 1 563 . 1 1 51 51 LYS HD3 H 1 1.603 0.030 . 1 . . . . 51 LYS HD3 . 11140 1 564 . 1 1 51 51 LYS HE2 H 1 2.878 0.030 . 1 . . . . 51 LYS HE2 . 11140 1 565 . 1 1 51 51 LYS HE3 H 1 2.878 0.030 . 1 . . . . 51 LYS HE3 . 11140 1 566 . 1 1 51 51 LYS HG2 H 1 1.349 0.030 . 2 . . . . 51 LYS HG2 . 11140 1 567 . 1 1 51 51 LYS HG3 H 1 1.496 0.030 . 2 . . . . 51 LYS HG3 . 11140 1 568 . 1 1 51 51 LYS C C 13 176.717 0.300 . 1 . . . . 51 LYS C . 11140 1 569 . 1 1 51 51 LYS CA C 13 56.807 0.300 . 1 . . . . 51 LYS CA . 11140 1 570 . 1 1 51 51 LYS CB C 13 29.849 0.300 . 1 . . . . 51 LYS CB . 11140 1 571 . 1 1 51 51 LYS CD C 13 26.759 0.300 . 1 . . . . 51 LYS CD . 11140 1 572 . 1 1 51 51 LYS CE C 13 39.694 0.300 . 1 . . . . 51 LYS CE . 11140 1 573 . 1 1 51 51 LYS CG C 13 22.792 0.300 . 1 . . . . 51 LYS CG . 11140 1 574 . 1 1 51 51 LYS N N 15 116.689 0.300 . 1 . . . . 51 LYS N . 11140 1 575 . 1 1 52 52 ILE H H 1 7.541 0.030 . 1 . . . . 52 ILE H . 11140 1 576 . 1 1 52 52 ILE HA H 1 3.717 0.030 . 1 . . . . 52 ILE HA . 11140 1 577 . 1 1 52 52 ILE HB H 1 1.873 0.030 . 1 . . . . 52 ILE HB . 11140 1 578 . 1 1 52 52 ILE HD11 H 1 0.672 0.030 . 1 . . . . 52 ILE HD1 . 11140 1 579 . 1 1 52 52 ILE HD12 H 1 0.672 0.030 . 1 . . . . 52 ILE HD1 . 11140 1 580 . 1 1 52 52 ILE HD13 H 1 0.672 0.030 . 1 . . . . 52 ILE HD1 . 11140 1 581 . 1 1 52 52 ILE HG12 H 1 1.599 0.030 . 2 . . . . 52 ILE HG12 . 11140 1 582 . 1 1 52 52 ILE HG13 H 1 1.010 0.030 . 2 . . . . 52 ILE HG13 . 11140 1 583 . 1 1 52 52 ILE HG21 H 1 0.725 0.030 . 1 . . . . 52 ILE HG2 . 11140 1 584 . 1 1 52 52 ILE HG22 H 1 0.725 0.030 . 1 . . . . 52 ILE HG2 . 11140 1 585 . 1 1 52 52 ILE HG23 H 1 0.725 0.030 . 1 . . . . 52 ILE HG2 . 11140 1 586 . 1 1 52 52 ILE C C 13 175.499 0.300 . 1 . . . . 52 ILE C . 11140 1 587 . 1 1 52 52 ILE CA C 13 62.430 0.300 . 1 . . . . 52 ILE CA . 11140 1 588 . 1 1 52 52 ILE CB C 13 35.699 0.300 . 1 . . . . 52 ILE CB . 11140 1 589 . 1 1 52 52 ILE CD1 C 13 11.219 0.300 . 1 . . . . 52 ILE CD1 . 11140 1 590 . 1 1 52 52 ILE CG1 C 13 26.186 0.300 . 1 . . . . 52 ILE CG1 . 11140 1 591 . 1 1 52 52 ILE CG2 C 13 14.592 0.300 . 1 . . . . 52 ILE CG2 . 11140 1 592 . 1 1 52 52 ILE N N 15 118.819 0.300 . 1 . . . . 52 ILE N . 11140 1 593 . 1 1 53 53 THR H H 1 7.965 0.030 . 1 . . . . 53 THR H . 11140 1 594 . 1 1 53 53 THR HA H 1 3.907 0.030 . 1 . . . . 53 THR HA . 11140 1 595 . 1 1 53 53 THR HB H 1 4.228 0.030 . 1 . . . . 53 THR HB . 11140 1 596 . 1 1 53 53 THR HG21 H 1 1.165 0.030 . 1 . . . . 53 THR HG2 . 11140 1 597 . 1 1 53 53 THR HG22 H 1 1.165 0.030 . 1 . . . . 53 THR HG2 . 11140 1 598 . 1 1 53 53 THR HG23 H 1 1.165 0.030 . 1 . . . . 53 THR HG2 . 11140 1 599 . 1 1 53 53 THR C C 13 174.492 0.300 . 1 . . . . 53 THR C . 11140 1 600 . 1 1 53 53 THR CA C 13 62.520 0.300 . 1 . . . . 53 THR CA . 11140 1 601 . 1 1 53 53 THR CB C 13 66.511 0.300 . 1 . . . . 53 THR CB . 11140 1 602 . 1 1 53 53 THR CG2 C 13 19.594 0.300 . 1 . . . . 53 THR CG2 . 11140 1 603 . 1 1 53 53 THR N N 15 111.604 0.300 . 1 . . . . 53 THR N . 11140 1 604 . 1 1 54 54 GLN H H 1 7.717 0.030 . 1 . . . . 54 GLN H . 11140 1 605 . 1 1 54 54 GLN HA H 1 3.969 0.030 . 1 . . . . 54 GLN HA . 11140 1 606 . 1 1 54 54 GLN HB2 H 1 2.087 0.030 . 2 . . . . 54 GLN HB2 . 11140 1 607 . 1 1 54 54 GLN HB3 H 1 2.021 0.030 . 2 . . . . 54 GLN HB3 . 11140 1 608 . 1 1 54 54 GLN HE21 H 1 6.715 0.030 . 2 . . . . 54 GLN HE21 . 11140 1 609 . 1 1 54 54 GLN HE22 H 1 7.368 0.030 . 2 . . . . 54 GLN HE22 . 11140 1 610 . 1 1 54 54 GLN HG2 H 1 2.313 0.030 . 2 . . . . 54 GLN HG2 . 11140 1 611 . 1 1 54 54 GLN HG3 H 1 2.412 0.030 . 2 . . . . 54 GLN HG3 . 11140 1 612 . 1 1 54 54 GLN C C 13 175.296 0.300 . 1 . . . . 54 GLN C . 11140 1 613 . 1 1 54 54 GLN CA C 13 55.943 0.300 . 1 . . . . 54 GLN CA . 11140 1 614 . 1 1 54 54 GLN CB C 13 26.306 0.300 . 1 . . . . 54 GLN CB . 11140 1 615 . 1 1 54 54 GLN CG C 13 31.785 0.300 . 1 . . . . 54 GLN CG . 11140 1 616 . 1 1 54 54 GLN N N 15 119.090 0.300 . 1 . . . . 54 GLN N . 11140 1 617 . 1 1 54 54 GLN NE2 N 15 111.131 0.300 . 1 . . . . 54 GLN NE2 . 11140 1 618 . 1 1 55 55 GLN H H 1 7.483 0.030 . 1 . . . . 55 GLN H . 11140 1 619 . 1 1 55 55 GLN HA H 1 4.117 0.030 . 1 . . . . 55 GLN HA . 11140 1 620 . 1 1 55 55 GLN HB2 H 1 2.100 0.030 . 1 . . . . 55 GLN HB2 . 11140 1 621 . 1 1 55 55 GLN HB3 H 1 2.100 0.030 . 1 . . . . 55 GLN HB3 . 11140 1 622 . 1 1 55 55 GLN HE21 H 1 6.765 0.030 . 2 . . . . 55 GLN HE21 . 11140 1 623 . 1 1 55 55 GLN HE22 H 1 7.380 0.030 . 2 . . . . 55 GLN HE22 . 11140 1 624 . 1 1 55 55 GLN HG2 H 1 2.455 0.030 . 2 . . . . 55 GLN HG2 . 11140 1 625 . 1 1 55 55 GLN HG3 H 1 2.329 0.030 . 2 . . . . 55 GLN HG3 . 11140 1 626 . 1 1 55 55 GLN C C 13 173.880 0.300 . 1 . . . . 55 GLN C . 11140 1 627 . 1 1 55 55 GLN CA C 13 54.727 0.300 . 1 . . . . 55 GLN CA . 11140 1 628 . 1 1 55 55 GLN CB C 13 27.216 0.300 . 1 . . . . 55 GLN CB . 11140 1 629 . 1 1 55 55 GLN CG C 13 31.867 0.300 . 1 . . . . 55 GLN CG . 11140 1 630 . 1 1 55 55 GLN N N 15 115.825 0.300 . 1 . . . . 55 GLN N . 11140 1 631 . 1 1 55 55 GLN NE2 N 15 110.879 0.300 . 1 . . . . 55 GLN NE2 . 11140 1 632 . 1 1 56 56 MET H H 1 7.766 0.030 . 1 . . . . 56 MET H . 11140 1 633 . 1 1 56 56 MET HA H 1 4.860 0.030 . 1 . . . . 56 MET HA . 11140 1 634 . 1 1 56 56 MET HB2 H 1 1.919 0.030 . 2 . . . . 56 MET HB2 . 11140 1 635 . 1 1 56 56 MET HB3 H 1 1.786 0.030 . 2 . . . . 56 MET HB3 . 11140 1 636 . 1 1 56 56 MET HE1 H 1 1.917 0.030 . 1 . . . . 56 MET HE . 11140 1 637 . 1 1 56 56 MET HE2 H 1 1.917 0.030 . 1 . . . . 56 MET HE . 11140 1 638 . 1 1 56 56 MET HE3 H 1 1.917 0.030 . 1 . . . . 56 MET HE . 11140 1 639 . 1 1 56 56 MET HG2 H 1 2.299 0.030 . 2 . . . . 56 MET HG2 . 11140 1 640 . 1 1 56 56 MET HG3 H 1 2.387 0.030 . 2 . . . . 56 MET HG3 . 11140 1 641 . 1 1 56 56 MET C C 13 170.991 0.300 . 1 . . . . 56 MET C . 11140 1 642 . 1 1 56 56 MET CA C 13 50.833 0.300 . 1 . . . . 56 MET CA . 11140 1 643 . 1 1 56 56 MET CB C 13 30.384 0.300 . 1 . . . . 56 MET CB . 11140 1 644 . 1 1 56 56 MET CE C 13 15.066 0.300 . 1 . . . . 56 MET CE . 11140 1 645 . 1 1 56 56 MET CG C 13 29.687 0.300 . 1 . . . . 56 MET CG . 11140 1 646 . 1 1 56 56 MET N N 15 116.980 0.300 . 1 . . . . 56 MET N . 11140 1 647 . 1 1 57 57 PRO HA H 1 4.522 0.030 . 1 . . . . 57 PRO HA . 11140 1 648 . 1 1 57 57 PRO HB2 H 1 2.291 0.030 . 2 . . . . 57 PRO HB2 . 11140 1 649 . 1 1 57 57 PRO HB3 H 1 1.875 0.030 . 2 . . . . 57 PRO HB3 . 11140 1 650 . 1 1 57 57 PRO HD2 H 1 3.523 0.030 . 2 . . . . 57 PRO HD2 . 11140 1 651 . 1 1 57 57 PRO HD3 H 1 3.237 0.030 . 2 . . . . 57 PRO HD3 . 11140 1 652 . 1 1 57 57 PRO HG2 H 1 1.926 0.030 . 2 . . . . 57 PRO HG2 . 11140 1 653 . 1 1 57 57 PRO HG3 H 1 1.763 0.030 . 2 . . . . 57 PRO HG3 . 11140 1 654 . 1 1 57 57 PRO C C 13 176.042 0.300 . 1 . . . . 57 PRO C . 11140 1 655 . 1 1 57 57 PRO CA C 13 62.198 0.300 . 1 . . . . 57 PRO CA . 11140 1 656 . 1 1 57 57 PRO CB C 13 29.972 0.300 . 1 . . . . 57 PRO CB . 11140 1 657 . 1 1 57 57 PRO CD C 13 48.016 0.300 . 1 . . . . 57 PRO CD . 11140 1 658 . 1 1 57 57 PRO CG C 13 24.946 0.300 . 1 . . . . 57 PRO CG . 11140 1 659 . 1 1 58 58 LYS H H 1 8.436 0.030 . 1 . . . . 58 LYS H . 11140 1 660 . 1 1 58 58 LYS HA H 1 4.246 0.030 . 1 . . . . 58 LYS HA . 11140 1 661 . 1 1 58 58 LYS HB2 H 1 1.886 0.030 . 2 . . . . 58 LYS HB2 . 11140 1 662 . 1 1 58 58 LYS HB3 H 1 1.630 0.030 . 2 . . . . 58 LYS HB3 . 11140 1 663 . 1 1 58 58 LYS HD2 H 1 1.619 0.030 . 1 . . . . 58 LYS HD2 . 11140 1 664 . 1 1 58 58 LYS HD3 H 1 1.619 0.030 . 1 . . . . 58 LYS HD3 . 11140 1 665 . 1 1 58 58 LYS HE2 H 1 2.916 0.030 . 1 . . . . 58 LYS HE2 . 11140 1 666 . 1 1 58 58 LYS HE3 H 1 2.916 0.030 . 1 . . . . 58 LYS HE3 . 11140 1 667 . 1 1 58 58 LYS HG2 H 1 1.292 0.030 . 2 . . . . 58 LYS HG2 . 11140 1 668 . 1 1 58 58 LYS HG3 H 1 1.397 0.030 . 2 . . . . 58 LYS HG3 . 11140 1 669 . 1 1 58 58 LYS C C 13 173.387 0.300 . 1 . . . . 58 LYS C . 11140 1 670 . 1 1 58 58 LYS CA C 13 54.004 0.300 . 1 . . . . 58 LYS CA . 11140 1 671 . 1 1 58 58 LYS CB C 13 29.939 0.300 . 1 . . . . 58 LYS CB . 11140 1 672 . 1 1 58 58 LYS CD C 13 26.759 0.300 . 1 . . . . 58 LYS CD . 11140 1 673 . 1 1 58 58 LYS CE C 13 39.947 0.300 . 1 . . . . 58 LYS CE . 11140 1 674 . 1 1 58 58 LYS CG C 13 23.436 0.300 . 1 . . . . 58 LYS CG . 11140 1 675 . 1 1 58 58 LYS N N 15 116.193 0.300 . 1 . . . . 58 LYS N . 11140 1 676 . 1 1 59 59 VAL H H 1 7.530 0.030 . 1 . . . . 59 VAL H . 11140 1 677 . 1 1 59 59 VAL HA H 1 4.394 0.030 . 1 . . . . 59 VAL HA . 11140 1 678 . 1 1 59 59 VAL HB H 1 1.948 0.030 . 1 . . . . 59 VAL HB . 11140 1 679 . 1 1 59 59 VAL HG11 H 1 0.557 0.030 . 1 . . . . 59 VAL HG1 . 11140 1 680 . 1 1 59 59 VAL HG12 H 1 0.557 0.030 . 1 . . . . 59 VAL HG1 . 11140 1 681 . 1 1 59 59 VAL HG13 H 1 0.557 0.030 . 1 . . . . 59 VAL HG1 . 11140 1 682 . 1 1 59 59 VAL HG21 H 1 0.638 0.030 . 1 . . . . 59 VAL HG2 . 11140 1 683 . 1 1 59 59 VAL HG22 H 1 0.638 0.030 . 1 . . . . 59 VAL HG2 . 11140 1 684 . 1 1 59 59 VAL HG23 H 1 0.638 0.030 . 1 . . . . 59 VAL HG2 . 11140 1 685 . 1 1 59 59 VAL C C 13 171.996 0.300 . 1 . . . . 59 VAL C . 11140 1 686 . 1 1 59 59 VAL CA C 13 59.063 0.300 . 1 . . . . 59 VAL CA . 11140 1 687 . 1 1 59 59 VAL CB C 13 30.243 0.300 . 1 . . . . 59 VAL CB . 11140 1 688 . 1 1 59 59 VAL CG1 C 13 19.344 0.300 . 2 . . . . 59 VAL CG1 . 11140 1 689 . 1 1 59 59 VAL CG2 C 13 21.391 0.300 . 2 . . . . 59 VAL CG2 . 11140 1 690 . 1 1 59 59 VAL N N 15 118.127 0.300 . 1 . . . . 59 VAL N . 11140 1 691 . 1 1 60 60 HIS H H 1 9.135 0.030 . 1 . . . . 60 HIS H . 11140 1 692 . 1 1 60 60 HIS HA H 1 4.788 0.030 . 1 . . . . 60 HIS HA . 11140 1 693 . 1 1 60 60 HIS HB2 H 1 3.023 0.030 . 2 . . . . 60 HIS HB2 . 11140 1 694 . 1 1 60 60 HIS HB3 H 1 3.082 0.030 . 2 . . . . 60 HIS HB3 . 11140 1 695 . 1 1 60 60 HIS HD2 H 1 7.019 0.030 . 1 . . . . 60 HIS HD2 . 11140 1 696 . 1 1 60 60 HIS HE1 H 1 8.176 0.030 . 1 . . . . 60 HIS HE1 . 11140 1 697 . 1 1 60 60 HIS C C 13 171.740 0.300 . 1 . . . . 60 HIS C . 11140 1 698 . 1 1 60 60 HIS CA C 13 52.546 0.300 . 1 . . . . 60 HIS CA . 11140 1 699 . 1 1 60 60 HIS CB C 13 28.489 0.300 . 1 . . . . 60 HIS CB . 11140 1 700 . 1 1 60 60 HIS CD2 C 13 117.368 0.300 . 1 . . . . 60 HIS CD2 . 11140 1 701 . 1 1 60 60 HIS CE1 C 13 134.841 0.300 . 1 . . . . 60 HIS CE1 . 11140 1 702 . 1 1 60 60 HIS N N 15 126.730 0.300 . 1 . . . . 60 HIS N . 11140 1 703 . 1 1 61 61 ILE H H 1 8.246 0.030 . 1 . . . . 61 ILE H . 11140 1 704 . 1 1 61 61 ILE HA H 1 4.617 0.030 . 1 . . . . 61 ILE HA . 11140 1 705 . 1 1 61 61 ILE HB H 1 1.410 0.030 . 1 . . . . 61 ILE HB . 11140 1 706 . 1 1 61 61 ILE HD11 H 1 0.566 0.030 . 1 . . . . 61 ILE HD1 . 11140 1 707 . 1 1 61 61 ILE HD12 H 1 0.566 0.030 . 1 . . . . 61 ILE HD1 . 11140 1 708 . 1 1 61 61 ILE HD13 H 1 0.566 0.030 . 1 . . . . 61 ILE HD1 . 11140 1 709 . 1 1 61 61 ILE HG12 H 1 1.341 0.030 . 2 . . . . 61 ILE HG12 . 11140 1 710 . 1 1 61 61 ILE HG13 H 1 0.531 0.030 . 2 . . . . 61 ILE HG13 . 11140 1 711 . 1 1 61 61 ILE HG21 H 1 0.329 0.030 . 1 . . . . 61 ILE HG2 . 11140 1 712 . 1 1 61 61 ILE HG22 H 1 0.329 0.030 . 1 . . . . 61 ILE HG2 . 11140 1 713 . 1 1 61 61 ILE HG23 H 1 0.329 0.030 . 1 . . . . 61 ILE HG2 . 11140 1 714 . 1 1 61 61 ILE C C 13 171.834 0.300 . 1 . . . . 61 ILE C . 11140 1 715 . 1 1 61 61 ILE CA C 13 57.915 0.300 . 1 . . . . 61 ILE CA . 11140 1 716 . 1 1 61 61 ILE CB C 13 37.238 0.300 . 1 . . . . 61 ILE CB . 11140 1 717 . 1 1 61 61 ILE CD1 C 13 11.549 0.300 . 1 . . . . 61 ILE CD1 . 11140 1 718 . 1 1 61 61 ILE CG1 C 13 25.328 0.300 . 1 . . . . 61 ILE CG1 . 11140 1 719 . 1 1 61 61 ILE CG2 C 13 15.231 0.300 . 1 . . . . 61 ILE CG2 . 11140 1 720 . 1 1 61 61 ILE N N 15 127.476 0.300 . 1 . . . . 61 ILE N . 11140 1 721 . 1 1 62 62 GLU H H 1 8.584 0.030 . 1 . . . . 62 GLU H . 11140 1 722 . 1 1 62 62 GLU HA H 1 4.528 0.030 . 1 . . . . 62 GLU HA . 11140 1 723 . 1 1 62 62 GLU HB2 H 1 1.843 0.030 . 2 . . . . 62 GLU HB2 . 11140 1 724 . 1 1 62 62 GLU HB3 H 1 1.645 0.030 . 2 . . . . 62 GLU HB3 . 11140 1 725 . 1 1 62 62 GLU HG2 H 1 2.021 0.030 . 1 . . . . 62 GLU HG2 . 11140 1 726 . 1 1 62 62 GLU HG3 H 1 2.021 0.030 . 1 . . . . 62 GLU HG3 . 11140 1 727 . 1 1 62 62 GLU C C 13 171.733 0.300 . 1 . . . . 62 GLU C . 11140 1 728 . 1 1 62 62 GLU CA C 13 52.410 0.300 . 1 . . . . 62 GLU CA . 11140 1 729 . 1 1 62 62 GLU CB C 13 30.960 0.300 . 1 . . . . 62 GLU CB . 11140 1 730 . 1 1 62 62 GLU CG C 13 33.574 0.300 . 1 . . . . 62 GLU CG . 11140 1 731 . 1 1 62 62 GLU N N 15 126.080 0.300 . 1 . . . . 62 GLU N . 11140 1 732 . 1 1 63 63 PHE H H 1 8.812 0.030 . 1 . . . . 63 PHE H . 11140 1 733 . 1 1 63 63 PHE HA H 1 4.605 0.030 . 1 . . . . 63 PHE HA . 11140 1 734 . 1 1 63 63 PHE HB2 H 1 2.970 0.030 . 2 . . . . 63 PHE HB2 . 11140 1 735 . 1 1 63 63 PHE HB3 H 1 2.771 0.030 . 2 . . . . 63 PHE HB3 . 11140 1 736 . 1 1 63 63 PHE HD1 H 1 6.771 0.030 . 1 . . . . 63 PHE HD1 . 11140 1 737 . 1 1 63 63 PHE HD2 H 1 6.771 0.030 . 1 . . . . 63 PHE HD2 . 11140 1 738 . 1 1 63 63 PHE HE1 H 1 6.788 0.030 . 1 . . . . 63 PHE HE1 . 11140 1 739 . 1 1 63 63 PHE HE2 H 1 6.788 0.030 . 1 . . . . 63 PHE HE2 . 11140 1 740 . 1 1 63 63 PHE HZ H 1 6.700 0.030 . 1 . . . . 63 PHE HZ . 11140 1 741 . 1 1 63 63 PHE C C 13 172.657 0.300 . 1 . . . . 63 PHE C . 11140 1 742 . 1 1 63 63 PHE CA C 13 53.916 0.300 . 1 . . . . 63 PHE CA . 11140 1 743 . 1 1 63 63 PHE CB C 13 37.308 0.300 . 1 . . . . 63 PHE CB . 11140 1 744 . 1 1 63 63 PHE CD1 C 13 129.298 0.300 . 1 . . . . 63 PHE CD1 . 11140 1 745 . 1 1 63 63 PHE CD2 C 13 129.298 0.300 . 1 . . . . 63 PHE CD2 . 11140 1 746 . 1 1 63 63 PHE CE1 C 13 128.225 0.300 . 1 . . . . 63 PHE CE1 . 11140 1 747 . 1 1 63 63 PHE CE2 C 13 128.225 0.300 . 1 . . . . 63 PHE CE2 . 11140 1 748 . 1 1 63 63 PHE CZ C 13 126.123 0.300 . 1 . . . . 63 PHE CZ . 11140 1 749 . 1 1 63 63 PHE N N 15 124.776 0.300 . 1 . . . . 63 PHE N . 11140 1 750 . 1 1 64 64 THR H H 1 8.800 0.030 . 1 . . . . 64 THR H . 11140 1 751 . 1 1 64 64 THR HA H 1 4.267 0.030 . 1 . . . . 64 THR HA . 11140 1 752 . 1 1 64 64 THR HB H 1 3.836 0.030 . 1 . . . . 64 THR HB . 11140 1 753 . 1 1 64 64 THR HG21 H 1 1.115 0.030 . 1 . . . . 64 THR HG2 . 11140 1 754 . 1 1 64 64 THR HG22 H 1 1.115 0.030 . 1 . . . . 64 THR HG2 . 11140 1 755 . 1 1 64 64 THR HG23 H 1 1.115 0.030 . 1 . . . . 64 THR HG2 . 11140 1 756 . 1 1 64 64 THR C C 13 172.051 0.300 . 1 . . . . 64 THR C . 11140 1 757 . 1 1 64 64 THR CA C 13 59.714 0.300 . 1 . . . . 64 THR CA . 11140 1 758 . 1 1 64 64 THR CB C 13 67.089 0.300 . 1 . . . . 64 THR CB . 11140 1 759 . 1 1 64 64 THR CG2 C 13 19.954 0.300 . 1 . . . . 64 THR CG2 . 11140 1 760 . 1 1 64 64 THR N N 15 121.781 0.300 . 1 . . . . 64 THR N . 11140 1 761 . 1 1 65 65 GLU H H 1 8.772 0.030 . 1 . . . . 65 GLU H . 11140 1 762 . 1 1 65 65 GLU HA H 1 3.712 0.030 . 1 . . . . 65 GLU HA . 11140 1 763 . 1 1 65 65 GLU HB2 H 1 1.823 0.030 . 1 . . . . 65 GLU HB2 . 11140 1 764 . 1 1 65 65 GLU HB3 H 1 1.823 0.030 . 1 . . . . 65 GLU HB3 . 11140 1 765 . 1 1 65 65 GLU HG2 H 1 2.067 0.030 . 1 . . . . 65 GLU HG2 . 11140 1 766 . 1 1 65 65 GLU HG3 H 1 2.067 0.030 . 1 . . . . 65 GLU HG3 . 11140 1 767 . 1 1 65 65 GLU C C 13 175.485 0.300 . 1 . . . . 65 GLU C . 11140 1 768 . 1 1 65 65 GLU CA C 13 56.446 0.300 . 1 . . . . 65 GLU CA . 11140 1 769 . 1 1 65 65 GLU CB C 13 27.088 0.300 . 1 . . . . 65 GLU CB . 11140 1 770 . 1 1 65 65 GLU CG C 13 33.680 0.300 . 1 . . . . 65 GLU CG . 11140 1 771 . 1 1 65 65 GLU N N 15 128.428 0.300 . 1 . . . . 65 GLU N . 11140 1 772 . 1 1 66 66 GLY H H 1 8.888 0.030 . 1 . . . . 66 GLY H . 11140 1 773 . 1 1 66 66 GLY HA2 H 1 4.059 0.030 . 2 . . . . 66 GLY HA2 . 11140 1 774 . 1 1 66 66 GLY HA3 H 1 3.680 0.030 . 2 . . . . 66 GLY HA3 . 11140 1 775 . 1 1 66 66 GLY C C 13 171.812 0.300 . 1 . . . . 66 GLY C . 11140 1 776 . 1 1 66 66 GLY CA C 13 43.229 0.300 . 1 . . . . 66 GLY CA . 11140 1 777 . 1 1 66 66 GLY N N 15 111.186 0.300 . 1 . . . . 66 GLY N . 11140 1 778 . 1 1 67 67 GLU H H 1 7.479 0.030 . 1 . . . . 67 GLU H . 11140 1 779 . 1 1 67 67 GLU HA H 1 4.514 0.030 . 1 . . . . 67 GLU HA . 11140 1 780 . 1 1 67 67 GLU HB2 H 1 2.146 0.030 . 2 . . . . 67 GLU HB2 . 11140 1 781 . 1 1 67 67 GLU HB3 H 1 1.793 0.030 . 2 . . . . 67 GLU HB3 . 11140 1 782 . 1 1 67 67 GLU HG2 H 1 2.069 0.030 . 2 . . . . 67 GLU HG2 . 11140 1 783 . 1 1 67 67 GLU HG3 H 1 2.126 0.030 . 2 . . . . 67 GLU HG3 . 11140 1 784 . 1 1 67 67 GLU C C 13 173.185 0.300 . 1 . . . . 67 GLU C . 11140 1 785 . 1 1 67 67 GLU CA C 13 52.911 0.300 . 1 . . . . 67 GLU CA . 11140 1 786 . 1 1 67 67 GLU CB C 13 29.478 0.300 . 1 . . . . 67 GLU CB . 11140 1 787 . 1 1 67 67 GLU CG C 13 34.256 0.300 . 1 . . . . 67 GLU CG . 11140 1 788 . 1 1 67 67 GLU N N 15 117.404 0.300 . 1 . . . . 67 GLU N . 11140 1 789 . 1 1 68 68 ASP H H 1 8.184 0.030 . 1 . . . . 68 ASP H . 11140 1 790 . 1 1 68 68 ASP HA H 1 4.813 0.030 . 1 . . . . 68 ASP HA . 11140 1 791 . 1 1 68 68 ASP HB2 H 1 2.648 0.030 . 1 . . . . 68 ASP HB2 . 11140 1 792 . 1 1 68 68 ASP HB3 H 1 2.648 0.030 . 1 . . . . 68 ASP HB3 . 11140 1 793 . 1 1 68 68 ASP C C 13 174.465 0.300 . 1 . . . . 68 ASP C . 11140 1 794 . 1 1 68 68 ASP CA C 13 52.048 0.300 . 1 . . . . 68 ASP CA . 11140 1 795 . 1 1 68 68 ASP CB C 13 37.703 0.300 . 1 . . . . 68 ASP CB . 11140 1 796 . 1 1 68 68 ASP N N 15 119.070 0.300 . 1 . . . . 68 ASP N . 11140 1 797 . 1 1 69 69 LYS H H 1 7.464 0.030 . 1 . . . . 69 LYS H . 11140 1 798 . 1 1 69 69 LYS HA H 1 5.011 0.030 . 1 . . . . 69 LYS HA . 11140 1 799 . 1 1 69 69 LYS HB2 H 1 1.588 0.030 . 2 . . . . 69 LYS HB2 . 11140 1 800 . 1 1 69 69 LYS HB3 H 1 1.416 0.030 . 2 . . . . 69 LYS HB3 . 11140 1 801 . 1 1 69 69 LYS HD2 H 1 1.468 0.030 . 2 . . . . 69 LYS HD2 . 11140 1 802 . 1 1 69 69 LYS HD3 H 1 1.403 0.030 . 2 . . . . 69 LYS HD3 . 11140 1 803 . 1 1 69 69 LYS HE2 H 1 2.745 0.030 . 1 . . . . 69 LYS HE2 . 11140 1 804 . 1 1 69 69 LYS HE3 H 1 2.745 0.030 . 1 . . . . 69 LYS HE3 . 11140 1 805 . 1 1 69 69 LYS HG2 H 1 1.123 0.030 . 1 . . . . 69 LYS HG2 . 11140 1 806 . 1 1 69 69 LYS HG3 H 1 1.123 0.030 . 1 . . . . 69 LYS HG3 . 11140 1 807 . 1 1 69 69 LYS C C 13 171.195 0.300 . 1 . . . . 69 LYS C . 11140 1 808 . 1 1 69 69 LYS CA C 13 53.123 0.300 . 1 . . . . 69 LYS CA . 11140 1 809 . 1 1 69 69 LYS CB C 13 34.050 0.300 . 1 . . . . 69 LYS CB . 11140 1 810 . 1 1 69 69 LYS CD C 13 27.137 0.300 . 1 . . . . 69 LYS CD . 11140 1 811 . 1 1 69 69 LYS CE C 13 39.643 0.300 . 1 . . . . 69 LYS CE . 11140 1 812 . 1 1 69 69 LYS CG C 13 21.815 0.300 . 1 . . . . 69 LYS CG . 11140 1 813 . 1 1 69 69 LYS N N 15 115.401 0.300 . 1 . . . . 69 LYS N . 11140 1 814 . 1 1 70 70 ILE H H 1 8.623 0.030 . 1 . . . . 70 ILE H . 11140 1 815 . 1 1 70 70 ILE HA H 1 4.198 0.030 . 1 . . . . 70 ILE HA . 11140 1 816 . 1 1 70 70 ILE HB H 1 1.125 0.030 . 1 . . . . 70 ILE HB . 11140 1 817 . 1 1 70 70 ILE HD11 H 1 0.161 0.030 . 1 . . . . 70 ILE HD1 . 11140 1 818 . 1 1 70 70 ILE HD12 H 1 0.161 0.030 . 1 . . . . 70 ILE HD1 . 11140 1 819 . 1 1 70 70 ILE HD13 H 1 0.161 0.030 . 1 . . . . 70 ILE HD1 . 11140 1 820 . 1 1 70 70 ILE HG12 H 1 -0.007 0.030 . 2 . . . . 70 ILE HG12 . 11140 1 821 . 1 1 70 70 ILE HG13 H 1 0.912 0.030 . 2 . . . . 70 ILE HG13 . 11140 1 822 . 1 1 70 70 ILE HG21 H 1 0.149 0.030 . 1 . . . . 70 ILE HG2 . 11140 1 823 . 1 1 70 70 ILE HG22 H 1 0.149 0.030 . 1 . . . . 70 ILE HG2 . 11140 1 824 . 1 1 70 70 ILE HG23 H 1 0.149 0.030 . 1 . . . . 70 ILE HG2 . 11140 1 825 . 1 1 70 70 ILE C C 13 173.065 0.300 . 1 . . . . 70 ILE C . 11140 1 826 . 1 1 70 70 ILE CA C 13 57.713 0.300 . 1 . . . . 70 ILE CA . 11140 1 827 . 1 1 70 70 ILE CB C 13 38.584 0.300 . 1 . . . . 70 ILE CB . 11140 1 828 . 1 1 70 70 ILE CD1 C 13 12.455 0.300 . 1 . . . . 70 ILE CD1 . 11140 1 829 . 1 1 70 70 ILE CG1 C 13 24.573 0.300 . 1 . . . . 70 ILE CG1 . 11140 1 830 . 1 1 70 70 ILE CG2 C 13 14.712 0.300 . 1 . . . . 70 ILE CG2 . 11140 1 831 . 1 1 70 70 ILE N N 15 123.018 0.300 . 1 . . . . 70 ILE N . 11140 1 832 . 1 1 71 71 THR H H 1 8.814 0.030 . 1 . . . . 71 THR H . 11140 1 833 . 1 1 71 71 THR HA H 1 4.735 0.030 . 1 . . . . 71 THR HA . 11140 1 834 . 1 1 71 71 THR HB H 1 3.861 0.030 . 1 . . . . 71 THR HB . 11140 1 835 . 1 1 71 71 THR HG21 H 1 0.997 0.030 . 1 . . . . 71 THR HG2 . 11140 1 836 . 1 1 71 71 THR HG22 H 1 0.997 0.030 . 1 . . . . 71 THR HG2 . 11140 1 837 . 1 1 71 71 THR HG23 H 1 0.997 0.030 . 1 . . . . 71 THR HG2 . 11140 1 838 . 1 1 71 71 THR C C 13 170.512 0.300 . 1 . . . . 71 THR C . 11140 1 839 . 1 1 71 71 THR CA C 13 59.556 0.300 . 1 . . . . 71 THR CA . 11140 1 840 . 1 1 71 71 THR CB C 13 67.993 0.300 . 1 . . . . 71 THR CB . 11140 1 841 . 1 1 71 71 THR CG2 C 13 19.538 0.300 . 1 . . . . 71 THR CG2 . 11140 1 842 . 1 1 71 71 THR N N 15 121.110 0.300 . 1 . . . . 71 THR N . 11140 1 843 . 1 1 72 72 LEU H H 1 8.713 0.030 . 1 . . . . 72 LEU H . 11140 1 844 . 1 1 72 72 LEU HA H 1 5.095 0.030 . 1 . . . . 72 LEU HA . 11140 1 845 . 1 1 72 72 LEU HB2 H 1 1.422 0.030 . 2 . . . . 72 LEU HB2 . 11140 1 846 . 1 1 72 72 LEU HB3 H 1 1.045 0.030 . 2 . . . . 72 LEU HB3 . 11140 1 847 . 1 1 72 72 LEU HD11 H 1 0.551 0.030 . 1 . . . . 72 LEU HD1 . 11140 1 848 . 1 1 72 72 LEU HD12 H 1 0.551 0.030 . 1 . . . . 72 LEU HD1 . 11140 1 849 . 1 1 72 72 LEU HD13 H 1 0.551 0.030 . 1 . . . . 72 LEU HD1 . 11140 1 850 . 1 1 72 72 LEU HD21 H 1 0.522 0.030 . 1 . . . . 72 LEU HD2 . 11140 1 851 . 1 1 72 72 LEU HD22 H 1 0.522 0.030 . 1 . . . . 72 LEU HD2 . 11140 1 852 . 1 1 72 72 LEU HD23 H 1 0.522 0.030 . 1 . . . . 72 LEU HD2 . 11140 1 853 . 1 1 72 72 LEU HG H 1 1.333 0.030 . 1 . . . . 72 LEU HG . 11140 1 854 . 1 1 72 72 LEU C C 13 172.287 0.300 . 1 . . . . 72 LEU C . 11140 1 855 . 1 1 72 72 LEU CA C 13 51.678 0.300 . 1 . . . . 72 LEU CA . 11140 1 856 . 1 1 72 72 LEU CB C 13 43.741 0.300 . 1 . . . . 72 LEU CB . 11140 1 857 . 1 1 72 72 LEU CD1 C 13 23.626 0.300 . 2 . . . . 72 LEU CD1 . 11140 1 858 . 1 1 72 72 LEU CD2 C 13 24.650 0.300 . 2 . . . . 72 LEU CD2 . 11140 1 859 . 1 1 72 72 LEU CG C 13 25.681 0.300 . 1 . . . . 72 LEU CG . 11140 1 860 . 1 1 72 72 LEU N N 15 124.155 0.300 . 1 . . . . 72 LEU N . 11140 1 861 . 1 1 73 73 GLU H H 1 8.398 0.030 . 1 . . . . 73 GLU H . 11140 1 862 . 1 1 73 73 GLU HA H 1 5.383 0.030 . 1 . . . . 73 GLU HA . 11140 1 863 . 1 1 73 73 GLU HB2 H 1 1.946 0.030 . 2 . . . . 73 GLU HB2 . 11140 1 864 . 1 1 73 73 GLU HB3 H 1 1.998 0.030 . 2 . . . . 73 GLU HB3 . 11140 1 865 . 1 1 73 73 GLU HG2 H 1 2.177 0.030 . 1 . . . . 73 GLU HG2 . 11140 1 866 . 1 1 73 73 GLU HG3 H 1 2.177 0.030 . 1 . . . . 73 GLU HG3 . 11140 1 867 . 1 1 73 73 GLU C C 13 172.831 0.300 . 1 . . . . 73 GLU C . 11140 1 868 . 1 1 73 73 GLU CA C 13 51.727 0.300 . 1 . . . . 73 GLU CA . 11140 1 869 . 1 1 73 73 GLU CB C 13 31.512 0.300 . 1 . . . . 73 GLU CB . 11140 1 870 . 1 1 73 73 GLU CG C 13 34.092 0.300 . 1 . . . . 73 GLU CG . 11140 1 871 . 1 1 73 73 GLU N N 15 118.689 0.300 . 1 . . . . 73 GLU N . 11140 1 872 . 1 1 74 74 GLY H H 1 7.979 0.030 . 1 . . . . 74 GLY H . 11140 1 873 . 1 1 74 74 GLY HA2 H 1 3.761 0.030 . 2 . . . . 74 GLY HA2 . 11140 1 874 . 1 1 74 74 GLY HA3 H 1 4.195 0.030 . 2 . . . . 74 GLY HA3 . 11140 1 875 . 1 1 74 74 GLY C C 13 166.281 0.300 . 1 . . . . 74 GLY C . 11140 1 876 . 1 1 74 74 GLY CA C 13 43.076 0.300 . 1 . . . . 74 GLY CA . 11140 1 877 . 1 1 74 74 GLY N N 15 110.796 0.300 . 1 . . . . 74 GLY N . 11140 1 878 . 1 1 75 75 PRO HA H 1 4.475 0.030 . 1 . . . . 75 PRO HA . 11140 1 879 . 1 1 75 75 PRO HB2 H 1 2.357 0.030 . 2 . . . . 75 PRO HB2 . 11140 1 880 . 1 1 75 75 PRO HB3 H 1 1.848 0.030 . 2 . . . . 75 PRO HB3 . 11140 1 881 . 1 1 75 75 PRO HD2 H 1 3.107 0.030 . 2 . . . . 75 PRO HD2 . 11140 1 882 . 1 1 75 75 PRO HD3 H 1 3.506 0.030 . 2 . . . . 75 PRO HD3 . 11140 1 883 . 1 1 75 75 PRO HG2 H 1 1.878 0.030 . 2 . . . . 75 PRO HG2 . 11140 1 884 . 1 1 75 75 PRO HG3 H 1 2.083 0.030 . 2 . . . . 75 PRO HG3 . 11140 1 885 . 1 1 75 75 PRO C C 13 175.974 0.300 . 1 . . . . 75 PRO C . 11140 1 886 . 1 1 75 75 PRO CA C 13 60.377 0.300 . 1 . . . . 75 PRO CA . 11140 1 887 . 1 1 75 75 PRO CB C 13 29.797 0.300 . 1 . . . . 75 PRO CB . 11140 1 888 . 1 1 75 75 PRO CD C 13 47.879 0.300 . 1 . . . . 75 PRO CD . 11140 1 889 . 1 1 75 75 PRO CG C 13 25.935 0.300 . 1 . . . . 75 PRO CG . 11140 1 890 . 1 1 76 76 THR H H 1 8.349 0.030 . 1 . . . . 76 THR H . 11140 1 891 . 1 1 76 76 THR HA H 1 3.446 0.030 . 1 . . . . 76 THR HA . 11140 1 892 . 1 1 76 76 THR HB H 1 3.844 0.030 . 1 . . . . 76 THR HB . 11140 1 893 . 1 1 76 76 THR HG21 H 1 1.062 0.030 . 1 . . . . 76 THR HG2 . 11140 1 894 . 1 1 76 76 THR HG22 H 1 1.062 0.030 . 1 . . . . 76 THR HG2 . 11140 1 895 . 1 1 76 76 THR HG23 H 1 1.062 0.030 . 1 . . . . 76 THR HG2 . 11140 1 896 . 1 1 76 76 THR C C 13 173.389 0.300 . 1 . . . . 76 THR C . 11140 1 897 . 1 1 76 76 THR CA C 13 65.067 0.300 . 1 . . . . 76 THR CA . 11140 1 898 . 1 1 76 76 THR CB C 13 67.003 0.300 . 1 . . . . 76 THR CB . 11140 1 899 . 1 1 76 76 THR CG2 C 13 19.203 0.300 . 1 . . . . 76 THR CG2 . 11140 1 900 . 1 1 76 76 THR N N 15 121.692 0.300 . 1 . . . . 76 THR N . 11140 1 901 . 1 1 77 77 GLU H H 1 9.392 0.030 . 1 . . . . 77 GLU H . 11140 1 902 . 1 1 77 77 GLU HA H 1 3.965 0.030 . 1 . . . . 77 GLU HA . 11140 1 903 . 1 1 77 77 GLU HB2 H 1 1.874 0.030 . 1 . . . . 77 GLU HB2 . 11140 1 904 . 1 1 77 77 GLU HB3 H 1 1.874 0.030 . 1 . . . . 77 GLU HB3 . 11140 1 905 . 1 1 77 77 GLU HG2 H 1 2.194 0.030 . 1 . . . . 77 GLU HG2 . 11140 1 906 . 1 1 77 77 GLU HG3 H 1 2.194 0.030 . 1 . . . . 77 GLU HG3 . 11140 1 907 . 1 1 77 77 GLU C C 13 175.678 0.300 . 1 . . . . 77 GLU C . 11140 1 908 . 1 1 77 77 GLU CA C 13 57.195 0.300 . 1 . . . . 77 GLU CA . 11140 1 909 . 1 1 77 77 GLU CB C 13 26.270 0.300 . 1 . . . . 77 GLU CB . 11140 1 910 . 1 1 77 77 GLU CG C 13 33.762 0.300 . 1 . . . . 77 GLU CG . 11140 1 911 . 1 1 77 77 GLU N N 15 119.685 0.300 . 1 . . . . 77 GLU N . 11140 1 912 . 1 1 78 78 ASP H H 1 7.038 0.030 . 1 . . . . 78 ASP H . 11140 1 913 . 1 1 78 78 ASP HA H 1 4.358 0.030 . 1 . . . . 78 ASP HA . 11140 1 914 . 1 1 78 78 ASP HB2 H 1 2.486 0.030 . 2 . . . . 78 ASP HB2 . 11140 1 915 . 1 1 78 78 ASP HB3 H 1 2.248 0.030 . 2 . . . . 78 ASP HB3 . 11140 1 916 . 1 1 78 78 ASP C C 13 175.654 0.300 . 1 . . . . 78 ASP C . 11140 1 917 . 1 1 78 78 ASP CA C 13 54.177 0.300 . 1 . . . . 78 ASP CA . 11140 1 918 . 1 1 78 78 ASP CB C 13 39.087 0.300 . 1 . . . . 78 ASP CB . 11140 1 919 . 1 1 78 78 ASP N N 15 118.858 0.300 . 1 . . . . 78 ASP N . 11140 1 920 . 1 1 79 79 VAL H H 1 8.393 0.030 . 1 . . . . 79 VAL H . 11140 1 921 . 1 1 79 79 VAL HA H 1 3.076 0.030 . 1 . . . . 79 VAL HA . 11140 1 922 . 1 1 79 79 VAL HB H 1 1.694 0.030 . 1 . . . . 79 VAL HB . 11140 1 923 . 1 1 79 79 VAL HG11 H 1 0.594 0.030 . 1 . . . . 79 VAL HG1 . 11140 1 924 . 1 1 79 79 VAL HG12 H 1 0.594 0.030 . 1 . . . . 79 VAL HG1 . 11140 1 925 . 1 1 79 79 VAL HG13 H 1 0.594 0.030 . 1 . . . . 79 VAL HG1 . 11140 1 926 . 1 1 79 79 VAL HG21 H 1 0.497 0.030 . 1 . . . . 79 VAL HG2 . 11140 1 927 . 1 1 79 79 VAL HG22 H 1 0.497 0.030 . 1 . . . . 79 VAL HG2 . 11140 1 928 . 1 1 79 79 VAL HG23 H 1 0.497 0.030 . 1 . . . . 79 VAL HG2 . 11140 1 929 . 1 1 79 79 VAL C C 13 174.680 0.300 . 1 . . . . 79 VAL C . 11140 1 930 . 1 1 79 79 VAL CA C 13 65.010 0.300 . 1 . . . . 79 VAL CA . 11140 1 931 . 1 1 79 79 VAL CB C 13 28.972 0.300 . 1 . . . . 79 VAL CB . 11140 1 932 . 1 1 79 79 VAL CG1 C 13 19.426 0.300 . 2 . . . . 79 VAL CG1 . 11140 1 933 . 1 1 79 79 VAL CG2 C 13 22.119 0.300 . 2 . . . . 79 VAL CG2 . 11140 1 934 . 1 1 79 79 VAL N N 15 119.864 0.300 . 1 . . . . 79 VAL N . 11140 1 935 . 1 1 80 80 SER H H 1 7.816 0.030 . 1 . . . . 80 SER H . 11140 1 936 . 1 1 80 80 SER HA H 1 4.002 0.030 . 1 . . . . 80 SER HA . 11140 1 937 . 1 1 80 80 SER HB2 H 1 3.828 0.030 . 1 . . . . 80 SER HB2 . 11140 1 938 . 1 1 80 80 SER HB3 H 1 3.828 0.030 . 1 . . . . 80 SER HB3 . 11140 1 939 . 1 1 80 80 SER C C 13 174.611 0.300 . 1 . . . . 80 SER C . 11140 1 940 . 1 1 80 80 SER CA C 13 59.669 0.300 . 1 . . . . 80 SER CA . 11140 1 941 . 1 1 80 80 SER CB C 13 60.281 0.300 . 1 . . . . 80 SER CB . 11140 1 942 . 1 1 80 80 SER N N 15 112.969 0.300 . 1 . . . . 80 SER N . 11140 1 943 . 1 1 81 81 VAL H H 1 6.977 0.030 . 1 . . . . 81 VAL H . 11140 1 944 . 1 1 81 81 VAL HA H 1 3.702 0.030 . 1 . . . . 81 VAL HA . 11140 1 945 . 1 1 81 81 VAL HB H 1 2.036 0.030 . 1 . . . . 81 VAL HB . 11140 1 946 . 1 1 81 81 VAL HG11 H 1 0.850 0.030 . 1 . . . . 81 VAL HG1 . 11140 1 947 . 1 1 81 81 VAL HG12 H 1 0.850 0.030 . 1 . . . . 81 VAL HG1 . 11140 1 948 . 1 1 81 81 VAL HG13 H 1 0.850 0.030 . 1 . . . . 81 VAL HG1 . 11140 1 949 . 1 1 81 81 VAL HG21 H 1 1.004 0.030 . 1 . . . . 81 VAL HG2 . 11140 1 950 . 1 1 81 81 VAL HG22 H 1 1.004 0.030 . 1 . . . . 81 VAL HG2 . 11140 1 951 . 1 1 81 81 VAL HG23 H 1 1.004 0.030 . 1 . . . . 81 VAL HG2 . 11140 1 952 . 1 1 81 81 VAL C C 13 176.242 0.300 . 1 . . . . 81 VAL C . 11140 1 953 . 1 1 81 81 VAL CA C 13 63.516 0.300 . 1 . . . . 81 VAL CA . 11140 1 954 . 1 1 81 81 VAL CB C 13 29.968 0.300 . 1 . . . . 81 VAL CB . 11140 1 955 . 1 1 81 81 VAL CG1 C 13 18.998 0.300 . 2 . . . . 81 VAL CG1 . 11140 1 956 . 1 1 81 81 VAL CG2 C 13 19.940 0.300 . 2 . . . . 81 VAL CG2 . 11140 1 957 . 1 1 81 81 VAL N N 15 121.568 0.300 . 1 . . . . 81 VAL N . 11140 1 958 . 1 1 82 82 ALA H H 1 8.221 0.030 . 1 . . . . 82 ALA H . 11140 1 959 . 1 1 82 82 ALA HA H 1 3.821 0.030 . 1 . . . . 82 ALA HA . 11140 1 960 . 1 1 82 82 ALA HB1 H 1 1.239 0.030 . 1 . . . . 82 ALA HB . 11140 1 961 . 1 1 82 82 ALA HB2 H 1 1.239 0.030 . 1 . . . . 82 ALA HB . 11140 1 962 . 1 1 82 82 ALA HB3 H 1 1.239 0.030 . 1 . . . . 82 ALA HB . 11140 1 963 . 1 1 82 82 ALA C C 13 176.453 0.300 . 1 . . . . 82 ALA C . 11140 1 964 . 1 1 82 82 ALA CA C 13 52.923 0.300 . 1 . . . . 82 ALA CA . 11140 1 965 . 1 1 82 82 ALA CB C 13 16.419 0.300 . 1 . . . . 82 ALA CB . 11140 1 966 . 1 1 82 82 ALA N N 15 122.174 0.300 . 1 . . . . 82 ALA N . 11140 1 967 . 1 1 83 83 GLN H H 1 9.168 0.030 . 1 . . . . 83 GLN H . 11140 1 968 . 1 1 83 83 GLN HA H 1 3.359 0.030 . 1 . . . . 83 GLN HA . 11140 1 969 . 1 1 83 83 GLN HB2 H 1 2.025 0.030 . 2 . . . . 83 GLN HB2 . 11140 1 970 . 1 1 83 83 GLN HB3 H 1 1.911 0.030 . 2 . . . . 83 GLN HB3 . 11140 1 971 . 1 1 83 83 GLN HE21 H 1 6.668 0.030 . 2 . . . . 83 GLN HE21 . 11140 1 972 . 1 1 83 83 GLN HE22 H 1 7.506 0.030 . 2 . . . . 83 GLN HE22 . 11140 1 973 . 1 1 83 83 GLN HG2 H 1 1.854 0.030 . 2 . . . . 83 GLN HG2 . 11140 1 974 . 1 1 83 83 GLN HG3 H 1 2.125 0.030 . 2 . . . . 83 GLN HG3 . 11140 1 975 . 1 1 83 83 GLN C C 13 175.008 0.300 . 1 . . . . 83 GLN C . 11140 1 976 . 1 1 83 83 GLN CA C 13 57.822 0.300 . 1 . . . . 83 GLN CA . 11140 1 977 . 1 1 83 83 GLN CB C 13 25.235 0.300 . 1 . . . . 83 GLN CB . 11140 1 978 . 1 1 83 83 GLN CG C 13 30.631 0.300 . 1 . . . . 83 GLN CG . 11140 1 979 . 1 1 83 83 GLN N N 15 117.542 0.300 . 1 . . . . 83 GLN N . 11140 1 980 . 1 1 83 83 GLN NE2 N 15 111.386 0.300 . 1 . . . . 83 GLN NE2 . 11140 1 981 . 1 1 84 84 GLU H H 1 7.331 0.030 . 1 . . . . 84 GLU H . 11140 1 982 . 1 1 84 84 GLU HA H 1 4.001 0.030 . 1 . . . . 84 GLU HA . 11140 1 983 . 1 1 84 84 GLU HB2 H 1 2.062 0.030 . 1 . . . . 84 GLU HB2 . 11140 1 984 . 1 1 84 84 GLU HB3 H 1 2.062 0.030 . 1 . . . . 84 GLU HB3 . 11140 1 985 . 1 1 84 84 GLU HG2 H 1 2.317 0.030 . 2 . . . . 84 GLU HG2 . 11140 1 986 . 1 1 84 84 GLU HG3 H 1 2.146 0.030 . 2 . . . . 84 GLU HG3 . 11140 1 987 . 1 1 84 84 GLU C C 13 177.650 0.300 . 1 . . . . 84 GLU C . 11140 1 988 . 1 1 84 84 GLU CA C 13 57.195 0.300 . 1 . . . . 84 GLU CA . 11140 1 989 . 1 1 84 84 GLU CB C 13 27.131 0.300 . 1 . . . . 84 GLU CB . 11140 1 990 . 1 1 84 84 GLU CG C 13 33.802 0.300 . 1 . . . . 84 GLU CG . 11140 1 991 . 1 1 84 84 GLU N N 15 118.176 0.300 . 1 . . . . 84 GLU N . 11140 1 992 . 1 1 85 85 GLN H H 1 7.691 0.030 . 1 . . . . 85 GLN H . 11140 1 993 . 1 1 85 85 GLN HA H 1 3.976 0.030 . 1 . . . . 85 GLN HA . 11140 1 994 . 1 1 85 85 GLN HB2 H 1 2.096 0.030 . 2 . . . . 85 GLN HB2 . 11140 1 995 . 1 1 85 85 GLN HB3 H 1 1.951 0.030 . 2 . . . . 85 GLN HB3 . 11140 1 996 . 1 1 85 85 GLN HE21 H 1 7.010 0.030 . 2 . . . . 85 GLN HE21 . 11140 1 997 . 1 1 85 85 GLN HE22 H 1 6.613 0.030 . 2 . . . . 85 GLN HE22 . 11140 1 998 . 1 1 85 85 GLN HG2 H 1 2.255 0.030 . 2 . . . . 85 GLN HG2 . 11140 1 999 . 1 1 85 85 GLN HG3 H 1 2.467 0.030 . 2 . . . . 85 GLN HG3 . 11140 1 1000 . 1 1 85 85 GLN C C 13 177.409 0.300 . 1 . . . . 85 GLN C . 11140 1 1001 . 1 1 85 85 GLN CA C 13 56.684 0.300 . 1 . . . . 85 GLN CA . 11140 1 1002 . 1 1 85 85 GLN CB C 13 26.183 0.300 . 1 . . . . 85 GLN CB . 11140 1 1003 . 1 1 85 85 GLN CG C 13 31.867 0.300 . 1 . . . . 85 GLN CG . 11140 1 1004 . 1 1 85 85 GLN N N 15 118.208 0.300 . 1 . . . . 85 GLN N . 11140 1 1005 . 1 1 85 85 GLN NE2 N 15 109.278 0.300 . 1 . . . . 85 GLN NE2 . 11140 1 1006 . 1 1 86 86 ILE H H 1 8.571 0.030 . 1 . . . . 86 ILE H . 11140 1 1007 . 1 1 86 86 ILE HA H 1 3.662 0.030 . 1 . . . . 86 ILE HA . 11140 1 1008 . 1 1 86 86 ILE HB H 1 1.747 0.030 . 1 . . . . 86 ILE HB . 11140 1 1009 . 1 1 86 86 ILE HD11 H 1 0.558 0.030 . 1 . . . . 86 ILE HD1 . 11140 1 1010 . 1 1 86 86 ILE HD12 H 1 0.558 0.030 . 1 . . . . 86 ILE HD1 . 11140 1 1011 . 1 1 86 86 ILE HD13 H 1 0.558 0.030 . 1 . . . . 86 ILE HD1 . 11140 1 1012 . 1 1 86 86 ILE HG12 H 1 1.597 0.030 . 2 . . . . 86 ILE HG12 . 11140 1 1013 . 1 1 86 86 ILE HG13 H 1 0.932 0.030 . 2 . . . . 86 ILE HG13 . 11140 1 1014 . 1 1 86 86 ILE HG21 H 1 0.628 0.030 . 1 . . . . 86 ILE HG2 . 11140 1 1015 . 1 1 86 86 ILE HG22 H 1 0.628 0.030 . 1 . . . . 86 ILE HG2 . 11140 1 1016 . 1 1 86 86 ILE HG23 H 1 0.628 0.030 . 1 . . . . 86 ILE HG2 . 11140 1 1017 . 1 1 86 86 ILE C C 13 175.380 0.300 . 1 . . . . 86 ILE C . 11140 1 1018 . 1 1 86 86 ILE CA C 13 62.465 0.300 . 1 . . . . 86 ILE CA . 11140 1 1019 . 1 1 86 86 ILE CB C 13 34.998 0.300 . 1 . . . . 86 ILE CB . 11140 1 1020 . 1 1 86 86 ILE CD1 C 13 10.391 0.300 . 1 . . . . 86 ILE CD1 . 11140 1 1021 . 1 1 86 86 ILE CG1 C 13 26.966 0.300 . 1 . . . . 86 ILE CG1 . 11140 1 1022 . 1 1 86 86 ILE CG2 C 13 15.521 0.300 . 1 . . . . 86 ILE CG2 . 11140 1 1023 . 1 1 86 86 ILE N N 15 121.029 0.300 . 1 . . . . 86 ILE N . 11140 1 1024 . 1 1 87 87 GLU H H 1 8.963 0.030 . 1 . . . . 87 GLU H . 11140 1 1025 . 1 1 87 87 GLU HA H 1 3.718 0.030 . 1 . . . . 87 GLU HA . 11140 1 1026 . 1 1 87 87 GLU HB2 H 1 2.134 0.030 . 2 . . . . 87 GLU HB2 . 11140 1 1027 . 1 1 87 87 GLU HB3 H 1 1.882 0.030 . 2 . . . . 87 GLU HB3 . 11140 1 1028 . 1 1 87 87 GLU HG2 H 1 2.164 0.030 . 2 . . . . 87 GLU HG2 . 11140 1 1029 . 1 1 87 87 GLU HG3 H 1 2.428 0.030 . 2 . . . . 87 GLU HG3 . 11140 1 1030 . 1 1 87 87 GLU C C 13 177.708 0.300 . 1 . . . . 87 GLU C . 11140 1 1031 . 1 1 87 87 GLU CA C 13 58.147 0.300 . 1 . . . . 87 GLU CA . 11140 1 1032 . 1 1 87 87 GLU CB C 13 27.147 0.300 . 1 . . . . 87 GLU CB . 11140 1 1033 . 1 1 87 87 GLU CG C 13 35.712 0.300 . 1 . . . . 87 GLU CG . 11140 1 1034 . 1 1 87 87 GLU N N 15 119.850 0.300 . 1 . . . . 87 GLU N . 11140 1 1035 . 1 1 88 88 GLY H H 1 7.840 0.030 . 1 . . . . 88 GLY H . 11140 1 1036 . 1 1 88 88 GLY HA2 H 1 3.742 0.030 . 2 . . . . 88 GLY HA2 . 11140 1 1037 . 1 1 88 88 GLY HA3 H 1 3.864 0.030 . 2 . . . . 88 GLY HA3 . 11140 1 1038 . 1 1 88 88 GLY C C 13 173.512 0.300 . 1 . . . . 88 GLY C . 11140 1 1039 . 1 1 88 88 GLY CA C 13 44.947 0.300 . 1 . . . . 88 GLY CA . 11140 1 1040 . 1 1 88 88 GLY N N 15 105.539 0.300 . 1 . . . . 88 GLY N . 11140 1 1041 . 1 1 89 89 MET H H 1 7.651 0.030 . 1 . . . . 89 MET H . 11140 1 1042 . 1 1 89 89 MET HA H 1 4.109 0.030 . 1 . . . . 89 MET HA . 11140 1 1043 . 1 1 89 89 MET HB2 H 1 2.203 0.030 . 2 . . . . 89 MET HB2 . 11140 1 1044 . 1 1 89 89 MET HB3 H 1 1.963 0.030 . 2 . . . . 89 MET HB3 . 11140 1 1045 . 1 1 89 89 MET HE1 H 1 1.918 0.030 . 1 . . . . 89 MET HE . 11140 1 1046 . 1 1 89 89 MET HE2 H 1 1.918 0.030 . 1 . . . . 89 MET HE . 11140 1 1047 . 1 1 89 89 MET HE3 H 1 1.918 0.030 . 1 . . . . 89 MET HE . 11140 1 1048 . 1 1 89 89 MET HG2 H 1 2.424 0.030 . 2 . . . . 89 MET HG2 . 11140 1 1049 . 1 1 89 89 MET HG3 H 1 2.678 0.030 . 2 . . . . 89 MET HG3 . 11140 1 1050 . 1 1 89 89 MET C C 13 176.166 0.300 . 1 . . . . 89 MET C . 11140 1 1051 . 1 1 89 89 MET CA C 13 56.790 0.300 . 1 . . . . 89 MET CA . 11140 1 1052 . 1 1 89 89 MET CB C 13 31.208 0.300 . 1 . . . . 89 MET CB . 11140 1 1053 . 1 1 89 89 MET CE C 13 15.388 0.300 . 1 . . . . 89 MET CE . 11140 1 1054 . 1 1 89 89 MET CG C 13 29.663 0.300 . 1 . . . . 89 MET CG . 11140 1 1055 . 1 1 89 89 MET N N 15 121.779 0.300 . 1 . . . . 89 MET N . 11140 1 1056 . 1 1 90 90 VAL H H 1 8.258 0.030 . 1 . . . . 90 VAL H . 11140 1 1057 . 1 1 90 90 VAL HA H 1 3.267 0.030 . 1 . . . . 90 VAL HA . 11140 1 1058 . 1 1 90 90 VAL HB H 1 2.075 0.030 . 1 . . . . 90 VAL HB . 11140 1 1059 . 1 1 90 90 VAL HG11 H 1 0.873 0.030 . 1 . . . . 90 VAL HG1 . 11140 1 1060 . 1 1 90 90 VAL HG12 H 1 0.873 0.030 . 1 . . . . 90 VAL HG1 . 11140 1 1061 . 1 1 90 90 VAL HG13 H 1 0.873 0.030 . 1 . . . . 90 VAL HG1 . 11140 1 1062 . 1 1 90 90 VAL HG21 H 1 0.812 0.030 . 1 . . . . 90 VAL HG2 . 11140 1 1063 . 1 1 90 90 VAL HG22 H 1 0.812 0.030 . 1 . . . . 90 VAL HG2 . 11140 1 1064 . 1 1 90 90 VAL HG23 H 1 0.812 0.030 . 1 . . . . 90 VAL HG2 . 11140 1 1065 . 1 1 90 90 VAL C C 13 174.681 0.300 . 1 . . . . 90 VAL C . 11140 1 1066 . 1 1 90 90 VAL CA C 13 64.974 0.300 . 1 . . . . 90 VAL CA . 11140 1 1067 . 1 1 90 90 VAL CB C 13 29.650 0.300 . 1 . . . . 90 VAL CB . 11140 1 1068 . 1 1 90 90 VAL CG1 C 13 18.849 0.300 . 2 . . . . 90 VAL CG1 . 11140 1 1069 . 1 1 90 90 VAL CG2 C 13 20.870 0.300 . 2 . . . . 90 VAL CG2 . 11140 1 1070 . 1 1 90 90 VAL N N 15 118.934 0.300 . 1 . . . . 90 VAL N . 11140 1 1071 . 1 1 91 91 LYS H H 1 7.874 0.030 . 1 . . . . 91 LYS H . 11140 1 1072 . 1 1 91 91 LYS HA H 1 3.802 0.030 . 1 . . . . 91 LYS HA . 11140 1 1073 . 1 1 91 91 LYS HB2 H 1 1.807 0.030 . 2 . . . . 91 LYS HB2 . 11140 1 1074 . 1 1 91 91 LYS HB3 H 1 2.074 0.030 . 2 . . . . 91 LYS HB3 . 11140 1 1075 . 1 1 91 91 LYS HD2 H 1 1.599 0.030 . 1 . . . . 91 LYS HD2 . 11140 1 1076 . 1 1 91 91 LYS HD3 H 1 1.599 0.030 . 1 . . . . 91 LYS HD3 . 11140 1 1077 . 1 1 91 91 LYS HE2 H 1 2.878 0.030 . 1 . . . . 91 LYS HE2 . 11140 1 1078 . 1 1 91 91 LYS HE3 H 1 2.878 0.030 . 1 . . . . 91 LYS HE3 . 11140 1 1079 . 1 1 91 91 LYS HG2 H 1 1.352 0.030 . 2 . . . . 91 LYS HG2 . 11140 1 1080 . 1 1 91 91 LYS HG3 H 1 1.488 0.030 . 2 . . . . 91 LYS HG3 . 11140 1 1081 . 1 1 91 91 LYS C C 13 176.411 0.300 . 1 . . . . 91 LYS C . 11140 1 1082 . 1 1 91 91 LYS CA C 13 57.481 0.300 . 1 . . . . 91 LYS CA . 11140 1 1083 . 1 1 91 91 LYS CB C 13 29.668 0.300 . 1 . . . . 91 LYS CB . 11140 1 1084 . 1 1 91 91 LYS CD C 13 27.006 0.300 . 1 . . . . 91 LYS CD . 11140 1 1085 . 1 1 91 91 LYS CE C 13 39.694 0.300 . 1 . . . . 91 LYS CE . 11140 1 1086 . 1 1 91 91 LYS CG C 13 22.901 0.300 . 1 . . . . 91 LYS CG . 11140 1 1087 . 1 1 91 91 LYS N N 15 117.722 0.300 . 1 . . . . 91 LYS N . 11140 1 1088 . 1 1 92 92 ASP H H 1 7.693 0.030 . 1 . . . . 92 ASP H . 11140 1 1089 . 1 1 92 92 ASP HA H 1 4.341 0.030 . 1 . . . . 92 ASP HA . 11140 1 1090 . 1 1 92 92 ASP HB2 H 1 2.601 0.030 . 2 . . . . 92 ASP HB2 . 11140 1 1091 . 1 1 92 92 ASP HB3 H 1 2.687 0.030 . 2 . . . . 92 ASP HB3 . 11140 1 1092 . 1 1 92 92 ASP C C 13 175.894 0.300 . 1 . . . . 92 ASP C . 11140 1 1093 . 1 1 92 92 ASP CA C 13 54.780 0.300 . 1 . . . . 92 ASP CA . 11140 1 1094 . 1 1 92 92 ASP CB C 13 39.049 0.300 . 1 . . . . 92 ASP CB . 11140 1 1095 . 1 1 92 92 ASP N N 15 117.489 0.300 . 1 . . . . 92 ASP N . 11140 1 1096 . 1 1 93 93 LEU H H 1 7.820 0.030 . 1 . . . . 93 LEU H . 11140 1 1097 . 1 1 93 93 LEU HA H 1 3.945 0.030 . 1 . . . . 93 LEU HA . 11140 1 1098 . 1 1 93 93 LEU HB2 H 1 1.825 0.030 . 2 . . . . 93 LEU HB2 . 11140 1 1099 . 1 1 93 93 LEU HB3 H 1 1.188 0.030 . 2 . . . . 93 LEU HB3 . 11140 1 1100 . 1 1 93 93 LEU HD11 H 1 0.699 0.030 . 1 . . . . 93 LEU HD1 . 11140 1 1101 . 1 1 93 93 LEU HD12 H 1 0.699 0.030 . 1 . . . . 93 LEU HD1 . 11140 1 1102 . 1 1 93 93 LEU HD13 H 1 0.699 0.030 . 1 . . . . 93 LEU HD1 . 11140 1 1103 . 1 1 93 93 LEU HD21 H 1 0.640 0.030 . 1 . . . . 93 LEU HD2 . 11140 1 1104 . 1 1 93 93 LEU HD22 H 1 0.640 0.030 . 1 . . . . 93 LEU HD2 . 11140 1 1105 . 1 1 93 93 LEU HD23 H 1 0.640 0.030 . 1 . . . . 93 LEU HD2 . 11140 1 1106 . 1 1 93 93 LEU HG H 1 1.726 0.030 . 1 . . . . 93 LEU HG . 11140 1 1107 . 1 1 93 93 LEU C C 13 177.582 0.300 . 1 . . . . 93 LEU C . 11140 1 1108 . 1 1 93 93 LEU CA C 13 55.255 0.300 . 1 . . . . 93 LEU CA . 11140 1 1109 . 1 1 93 93 LEU CB C 13 40.808 0.300 . 1 . . . . 93 LEU CB . 11140 1 1110 . 1 1 93 93 LEU CD1 C 13 24.301 0.300 . 2 . . . . 93 LEU CD1 . 11140 1 1111 . 1 1 93 93 LEU CD2 C 13 20.846 0.300 . 2 . . . . 93 LEU CD2 . 11140 1 1112 . 1 1 93 93 LEU CG C 13 25.068 0.300 . 1 . . . . 93 LEU CG . 11140 1 1113 . 1 1 93 93 LEU N N 15 118.532 0.300 . 1 . . . . 93 LEU N . 11140 1 1114 . 1 1 94 94 ILE H H 1 8.291 0.030 . 1 . . . . 94 ILE H . 11140 1 1115 . 1 1 94 94 ILE HA H 1 3.852 0.030 . 1 . . . . 94 ILE HA . 11140 1 1116 . 1 1 94 94 ILE HB H 1 1.866 0.030 . 1 . . . . 94 ILE HB . 11140 1 1117 . 1 1 94 94 ILE HD11 H 1 0.735 0.030 . 1 . . . . 94 ILE HD1 . 11140 1 1118 . 1 1 94 94 ILE HD12 H 1 0.735 0.030 . 1 . . . . 94 ILE HD1 . 11140 1 1119 . 1 1 94 94 ILE HD13 H 1 0.735 0.030 . 1 . . . . 94 ILE HD1 . 11140 1 1120 . 1 1 94 94 ILE HG12 H 1 1.140 0.030 . 2 . . . . 94 ILE HG12 . 11140 1 1121 . 1 1 94 94 ILE HG13 H 1 1.611 0.030 . 2 . . . . 94 ILE HG13 . 11140 1 1122 . 1 1 94 94 ILE HG21 H 1 0.895 0.030 . 1 . . . . 94 ILE HG2 . 11140 1 1123 . 1 1 94 94 ILE HG22 H 1 0.895 0.030 . 1 . . . . 94 ILE HG2 . 11140 1 1124 . 1 1 94 94 ILE HG23 H 1 0.895 0.030 . 1 . . . . 94 ILE HG2 . 11140 1 1125 . 1 1 94 94 ILE C C 13 175.663 0.300 . 1 . . . . 94 ILE C . 11140 1 1126 . 1 1 94 94 ILE CA C 13 62.458 0.300 . 1 . . . . 94 ILE CA . 11140 1 1127 . 1 1 94 94 ILE CB C 13 35.837 0.300 . 1 . . . . 94 ILE CB . 11140 1 1128 . 1 1 94 94 ILE CD1 C 13 11.424 0.300 . 1 . . . . 94 ILE CD1 . 11140 1 1129 . 1 1 94 94 ILE CG1 C 13 26.806 0.300 . 1 . . . . 94 ILE CG1 . 11140 1 1130 . 1 1 94 94 ILE CG2 C 13 14.809 0.300 . 1 . . . . 94 ILE CG2 . 11140 1 1131 . 1 1 94 94 ILE N N 15 119.002 0.300 . 1 . . . . 94 ILE N . 11140 1 1132 . 1 1 95 95 ASN H H 1 7.959 0.030 . 1 . . . . 95 ASN H . 11140 1 1133 . 1 1 95 95 ASN HA H 1 4.575 0.030 . 1 . . . . 95 ASN HA . 11140 1 1134 . 1 1 95 95 ASN HB2 H 1 2.823 0.030 . 1 . . . . 95 ASN HB2 . 11140 1 1135 . 1 1 95 95 ASN HB3 H 1 2.823 0.030 . 1 . . . . 95 ASN HB3 . 11140 1 1136 . 1 1 95 95 ASN HD21 H 1 6.826 0.030 . 2 . . . . 95 ASN HD21 . 11140 1 1137 . 1 1 95 95 ASN HD22 H 1 7.647 0.030 . 2 . . . . 95 ASN HD22 . 11140 1 1138 . 1 1 95 95 ASN C C 13 174.016 0.300 . 1 . . . . 95 ASN C . 11140 1 1139 . 1 1 95 95 ASN CA C 13 52.444 0.300 . 1 . . . . 95 ASN CA . 11140 1 1140 . 1 1 95 95 ASN CB C 13 36.522 0.300 . 1 . . . . 95 ASN CB . 11140 1 1141 . 1 1 95 95 ASN N N 15 117.793 0.300 . 1 . . . . 95 ASN N . 11140 1 1142 . 1 1 95 95 ASN ND2 N 15 112.443 0.300 . 1 . . . . 95 ASN ND2 . 11140 1 1143 . 1 1 96 96 ARG H H 1 7.791 0.030 . 1 . . . . 96 ARG H . 11140 1 1144 . 1 1 96 96 ARG HA H 1 4.281 0.030 . 1 . . . . 96 ARG HA . 11140 1 1145 . 1 1 96 96 ARG HB2 H 1 1.834 0.030 . 2 . . . . 96 ARG HB2 . 11140 1 1146 . 1 1 96 96 ARG HB3 H 1 1.750 0.030 . 2 . . . . 96 ARG HB3 . 11140 1 1147 . 1 1 96 96 ARG HD2 H 1 3.060 0.030 . 2 . . . . 96 ARG HD2 . 11140 1 1148 . 1 1 96 96 ARG HD3 H 1 3.023 0.030 . 2 . . . . 96 ARG HD3 . 11140 1 1149 . 1 1 96 96 ARG HG2 H 1 1.589 0.030 . 2 . . . . 96 ARG HG2 . 11140 1 1150 . 1 1 96 96 ARG HG3 H 1 1.644 0.030 . 2 . . . . 96 ARG HG3 . 11140 1 1151 . 1 1 96 96 ARG C C 13 174.249 0.300 . 1 . . . . 96 ARG C . 11140 1 1152 . 1 1 96 96 ARG CA C 13 54.604 0.300 . 1 . . . . 96 ARG CA . 11140 1 1153 . 1 1 96 96 ARG CB C 13 28.407 0.300 . 1 . . . . 96 ARG CB . 11140 1 1154 . 1 1 96 96 ARG CD C 13 41.230 0.300 . 1 . . . . 96 ARG CD . 11140 1 1155 . 1 1 96 96 ARG CG C 13 25.046 0.300 . 1 . . . . 96 ARG CG . 11140 1 1156 . 1 1 96 96 ARG N N 15 118.048 0.300 . 1 . . . . 96 ARG N . 11140 1 1157 . 1 1 97 97 SER H H 1 7.950 0.030 . 1 . . . . 97 SER H . 11140 1 1158 . 1 1 97 97 SER HA H 1 4.387 0.030 . 1 . . . . 97 SER HA . 11140 1 1159 . 1 1 97 97 SER HB2 H 1 3.757 0.030 . 1 . . . . 97 SER HB2 . 11140 1 1160 . 1 1 97 97 SER HB3 H 1 3.757 0.030 . 1 . . . . 97 SER HB3 . 11140 1 1161 . 1 1 97 97 SER C C 13 171.892 0.300 . 1 . . . . 97 SER C . 11140 1 1162 . 1 1 97 97 SER CA C 13 56.419 0.300 . 1 . . . . 97 SER CA . 11140 1 1163 . 1 1 97 97 SER CB C 13 61.775 0.300 . 1 . . . . 97 SER CB . 11140 1 1164 . 1 1 97 97 SER N N 15 115.020 0.300 . 1 . . . . 97 SER N . 11140 1 1165 . 1 1 98 98 GLY H H 1 7.957 0.030 . 1 . . . . 98 GLY H . 11140 1 1166 . 1 1 98 98 GLY HA2 H 1 3.906 0.030 . 1 . . . . 98 GLY HA2 . 11140 1 1167 . 1 1 98 98 GLY HA3 H 1 3.906 0.030 . 1 . . . . 98 GLY HA3 . 11140 1 1168 . 1 1 98 98 GLY C C 13 169.316 0.300 . 1 . . . . 98 GLY C . 11140 1 1169 . 1 1 98 98 GLY CA C 13 42.410 0.300 . 1 . . . . 98 GLY CA . 11140 1 1170 . 1 1 98 98 GLY N N 15 109.476 0.300 . 1 . . . . 98 GLY N . 11140 1 1171 . 1 1 99 99 PRO HA H 1 4.264 0.030 . 1 . . . . 99 PRO HA . 11140 1 1172 . 1 1 99 99 PRO HB2 H 1 2.065 0.030 . 2 . . . . 99 PRO HB2 . 11140 1 1173 . 1 1 99 99 PRO HB3 H 1 1.817 0.030 . 2 . . . . 99 PRO HB3 . 11140 1 1174 . 1 1 99 99 PRO HD2 H 1 3.258 0.030 . 2 . . . . 99 PRO HD2 . 11140 1 1175 . 1 1 99 99 PRO HD3 H 1 3.415 0.030 . 2 . . . . 99 PRO HD3 . 11140 1 1176 . 1 1 99 99 PRO HG2 H 1 1.833 0.030 . 2 . . . . 99 PRO HG2 . 11140 1 1177 . 1 1 99 99 PRO HG3 H 1 1.785 0.030 . 2 . . . . 99 PRO HG3 . 11140 1 1178 . 1 1 99 99 PRO C C 13 175.011 0.300 . 1 . . . . 99 PRO C . 11140 1 1179 . 1 1 99 99 PRO CA C 13 60.914 0.300 . 1 . . . . 99 PRO CA . 11140 1 1180 . 1 1 99 99 PRO CB C 13 29.643 0.300 . 1 . . . . 99 PRO CB . 11140 1 1181 . 1 1 99 99 PRO CD C 13 47.321 0.300 . 1 . . . . 99 PRO CD . 11140 1 1182 . 1 1 99 99 PRO CG C 13 24.704 0.300 . 1 . . . . 99 PRO CG . 11140 1 1183 . 1 1 100 100 SER H H 1 8.320 0.030 . 1 . . . . 100 SER H . 11140 1 1184 . 1 1 100 100 SER HA H 1 4.345 0.030 . 1 . . . . 100 SER HA . 11140 1 1185 . 1 1 100 100 SER HB2 H 1 3.799 0.030 . 2 . . . . 100 SER HB2 . 11140 1 1186 . 1 1 100 100 SER HB3 H 1 3.838 0.030 . 2 . . . . 100 SER HB3 . 11140 1 1187 . 1 1 100 100 SER C C 13 172.264 0.300 . 1 . . . . 100 SER C . 11140 1 1188 . 1 1 100 100 SER CA C 13 55.996 0.300 . 1 . . . . 100 SER CA . 11140 1 1189 . 1 1 100 100 SER CB C 13 61.404 0.300 . 1 . . . . 100 SER CB . 11140 1 1190 . 1 1 100 100 SER N N 15 115.642 0.300 . 1 . . . . 100 SER N . 11140 1 1191 . 1 1 101 101 SER H H 1 8.143 0.030 . 1 . . . . 101 SER H . 11140 1 1192 . 1 1 101 101 SER HA H 1 4.333 0.030 . 1 . . . . 101 SER HA . 11140 1 1193 . 1 1 101 101 SER HB2 H 1 3.749 0.030 . 1 . . . . 101 SER HB2 . 11140 1 1194 . 1 1 101 101 SER HB3 H 1 3.749 0.030 . 1 . . . . 101 SER HB3 . 11140 1 1195 . 1 1 101 101 SER C C 13 171.537 0.300 . 1 . . . . 101 SER C . 11140 1 1196 . 1 1 101 101 SER CA C 13 56.049 0.300 . 1 . . . . 101 SER CA . 11140 1 1197 . 1 1 101 101 SER CB C 13 61.775 0.300 . 1 . . . . 101 SER CB . 11140 1 1198 . 1 1 101 101 SER N N 15 117.360 0.300 . 1 . . . . 101 SER N . 11140 1 1199 . 1 1 102 102 GLY H H 1 7.902 0.030 . 1 . . . . 102 GLY H . 11140 1 1200 . 1 1 102 102 GLY HA2 H 1 3.672 0.030 . 2 . . . . 102 GLY HA2 . 11140 1 1201 . 1 1 102 102 GLY HA3 H 1 3.637 0.030 . 2 . . . . 102 GLY HA3 . 11140 1 1202 . 1 1 102 102 GLY C C 13 176.648 0.300 . 1 . . . . 102 GLY C . 11140 1 1203 . 1 1 102 102 GLY CA C 13 43.851 0.300 . 1 . . . . 102 GLY CA . 11140 1 1204 . 1 1 102 102 GLY N N 15 116.359 0.300 . 1 . . . . 102 GLY N . 11140 1 stop_ save_