data_11109 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11109 _Entry.Title ; The solution structure of the third thioredoxin domain of mouse Protein disulfide-isomerase A4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-18 _Entry.Accession_date 2010-02-22 _Entry.Last_release_date 2011-02-18 _Entry.Original_release_date 2011-02-18 _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 N. Tochio . . . 11109 2 M. Sato . . . 11109 3 S. Koshiba . . . 11109 4 M. Inoue . . . 11109 5 T. Kigawa . . . 11109 6 S. Yokoyama . . . 11109 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)' . 11109 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11109 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 575 11109 '15N chemical shifts' 122 11109 '1H chemical shifts' 859 11109 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 . . 2011-02-18 2010-02-19 original author . 11109 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DJ3 'BMRB Entry Tracking System' 11109 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11109 _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 ; The solution structure of the third thioredoxin domain of mouse Protein disulfide-isomerase A4 ; _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 N. Tochio . . . 11109 1 2 M. Sato . . . 11109 1 3 S. Koshiba . . . 11109 1 4 M. Inoue . . . 11109 1 5 T. Kigawa . . . 11109 1 6 S. Yokoyama . . . 11109 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11109 _Assembly.ID 1 _Assembly.Name 'Protein disulfide-isomerase A4' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number E.C.5.3.4.1 _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 '3rd thioredoxin domain' 1 $entity_1 A . yes native no no . . . 11109 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 2dj3 . . . . . . 11109 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11109 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '3rd thioredoxin 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 ; GSSGSSGPVKVVVGKTFDAI VMDPKKDVLIEFYAPWCGHC KQLEPIYTSLGKKYKGQKDL VIAKMDATANDITNDQYKVE GFPTIYFAPSGDKKNPIKFE GGNRDLEHLSKFIDEHATKR SRTKEELSGPSSG ; _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 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2DJ3 . "The Solution Structure Of The Third Thioredoxin Domain Of Mouse Protein Disulfide-Isomerase A4" . . . . . 100.00 133 100.00 100.00 3.13e-92 . . . . 11109 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '3rd thioredoxin domain' . 11109 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 . 11109 1 2 . SER . 11109 1 3 . SER . 11109 1 4 . GLY . 11109 1 5 . SER . 11109 1 6 . SER . 11109 1 7 . GLY . 11109 1 8 . PRO . 11109 1 9 . VAL . 11109 1 10 . LYS . 11109 1 11 . VAL . 11109 1 12 . VAL . 11109 1 13 . VAL . 11109 1 14 . GLY . 11109 1 15 . LYS . 11109 1 16 . THR . 11109 1 17 . PHE . 11109 1 18 . ASP . 11109 1 19 . ALA . 11109 1 20 . ILE . 11109 1 21 . VAL . 11109 1 22 . MET . 11109 1 23 . ASP . 11109 1 24 . PRO . 11109 1 25 . LYS . 11109 1 26 . LYS . 11109 1 27 . ASP . 11109 1 28 . VAL . 11109 1 29 . LEU . 11109 1 30 . ILE . 11109 1 31 . GLU . 11109 1 32 . PHE . 11109 1 33 . TYR . 11109 1 34 . ALA . 11109 1 35 . PRO . 11109 1 36 . TRP . 11109 1 37 . CYS . 11109 1 38 . GLY . 11109 1 39 . HIS . 11109 1 40 . CYS . 11109 1 41 . LYS . 11109 1 42 . GLN . 11109 1 43 . LEU . 11109 1 44 . GLU . 11109 1 45 . PRO . 11109 1 46 . ILE . 11109 1 47 . TYR . 11109 1 48 . THR . 11109 1 49 . SER . 11109 1 50 . LEU . 11109 1 51 . GLY . 11109 1 52 . LYS . 11109 1 53 . LYS . 11109 1 54 . TYR . 11109 1 55 . LYS . 11109 1 56 . GLY . 11109 1 57 . GLN . 11109 1 58 . LYS . 11109 1 59 . ASP . 11109 1 60 . LEU . 11109 1 61 . VAL . 11109 1 62 . ILE . 11109 1 63 . ALA . 11109 1 64 . LYS . 11109 1 65 . MET . 11109 1 66 . ASP . 11109 1 67 . ALA . 11109 1 68 . THR . 11109 1 69 . ALA . 11109 1 70 . ASN . 11109 1 71 . ASP . 11109 1 72 . ILE . 11109 1 73 . THR . 11109 1 74 . ASN . 11109 1 75 . ASP . 11109 1 76 . GLN . 11109 1 77 . TYR . 11109 1 78 . LYS . 11109 1 79 . VAL . 11109 1 80 . GLU . 11109 1 81 . GLY . 11109 1 82 . PHE . 11109 1 83 . PRO . 11109 1 84 . THR . 11109 1 85 . ILE . 11109 1 86 . TYR . 11109 1 87 . PHE . 11109 1 88 . ALA . 11109 1 89 . PRO . 11109 1 90 . SER . 11109 1 91 . GLY . 11109 1 92 . ASP . 11109 1 93 . LYS . 11109 1 94 . LYS . 11109 1 95 . ASN . 11109 1 96 . PRO . 11109 1 97 . ILE . 11109 1 98 . LYS . 11109 1 99 . PHE . 11109 1 100 . GLU . 11109 1 101 . GLY . 11109 1 102 . GLY . 11109 1 103 . ASN . 11109 1 104 . ARG . 11109 1 105 . ASP . 11109 1 106 . LEU . 11109 1 107 . GLU . 11109 1 108 . HIS . 11109 1 109 . LEU . 11109 1 110 . SER . 11109 1 111 . LYS . 11109 1 112 . PHE . 11109 1 113 . ILE . 11109 1 114 . ASP . 11109 1 115 . GLU . 11109 1 116 . HIS . 11109 1 117 . ALA . 11109 1 118 . THR . 11109 1 119 . LYS . 11109 1 120 . ARG . 11109 1 121 . SER . 11109 1 122 . ARG . 11109 1 123 . THR . 11109 1 124 . LYS . 11109 1 125 . GLU . 11109 1 126 . GLU . 11109 1 127 . LEU . 11109 1 128 . SER . 11109 1 129 . GLY . 11109 1 130 . PRO . 11109 1 131 . SER . 11109 1 132 . SER . 11109 1 133 . GLY . 11109 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 11109 1 . SER 2 2 11109 1 . SER 3 3 11109 1 . GLY 4 4 11109 1 . SER 5 5 11109 1 . SER 6 6 11109 1 . GLY 7 7 11109 1 . PRO 8 8 11109 1 . VAL 9 9 11109 1 . LYS 10 10 11109 1 . VAL 11 11 11109 1 . VAL 12 12 11109 1 . VAL 13 13 11109 1 . GLY 14 14 11109 1 . LYS 15 15 11109 1 . THR 16 16 11109 1 . PHE 17 17 11109 1 . ASP 18 18 11109 1 . ALA 19 19 11109 1 . ILE 20 20 11109 1 . VAL 21 21 11109 1 . MET 22 22 11109 1 . ASP 23 23 11109 1 . PRO 24 24 11109 1 . LYS 25 25 11109 1 . LYS 26 26 11109 1 . ASP 27 27 11109 1 . VAL 28 28 11109 1 . LEU 29 29 11109 1 . ILE 30 30 11109 1 . GLU 31 31 11109 1 . PHE 32 32 11109 1 . TYR 33 33 11109 1 . ALA 34 34 11109 1 . PRO 35 35 11109 1 . TRP 36 36 11109 1 . CYS 37 37 11109 1 . GLY 38 38 11109 1 . HIS 39 39 11109 1 . CYS 40 40 11109 1 . LYS 41 41 11109 1 . GLN 42 42 11109 1 . LEU 43 43 11109 1 . GLU 44 44 11109 1 . PRO 45 45 11109 1 . ILE 46 46 11109 1 . TYR 47 47 11109 1 . THR 48 48 11109 1 . SER 49 49 11109 1 . LEU 50 50 11109 1 . GLY 51 51 11109 1 . LYS 52 52 11109 1 . LYS 53 53 11109 1 . TYR 54 54 11109 1 . LYS 55 55 11109 1 . GLY 56 56 11109 1 . GLN 57 57 11109 1 . LYS 58 58 11109 1 . ASP 59 59 11109 1 . LEU 60 60 11109 1 . VAL 61 61 11109 1 . ILE 62 62 11109 1 . ALA 63 63 11109 1 . LYS 64 64 11109 1 . MET 65 65 11109 1 . ASP 66 66 11109 1 . ALA 67 67 11109 1 . THR 68 68 11109 1 . ALA 69 69 11109 1 . ASN 70 70 11109 1 . ASP 71 71 11109 1 . ILE 72 72 11109 1 . THR 73 73 11109 1 . ASN 74 74 11109 1 . ASP 75 75 11109 1 . GLN 76 76 11109 1 . TYR 77 77 11109 1 . LYS 78 78 11109 1 . VAL 79 79 11109 1 . GLU 80 80 11109 1 . GLY 81 81 11109 1 . PHE 82 82 11109 1 . PRO 83 83 11109 1 . THR 84 84 11109 1 . ILE 85 85 11109 1 . TYR 86 86 11109 1 . PHE 87 87 11109 1 . ALA 88 88 11109 1 . PRO 89 89 11109 1 . SER 90 90 11109 1 . GLY 91 91 11109 1 . ASP 92 92 11109 1 . LYS 93 93 11109 1 . LYS 94 94 11109 1 . ASN 95 95 11109 1 . PRO 96 96 11109 1 . ILE 97 97 11109 1 . LYS 98 98 11109 1 . PHE 99 99 11109 1 . GLU 100 100 11109 1 . GLY 101 101 11109 1 . GLY 102 102 11109 1 . ASN 103 103 11109 1 . ARG 104 104 11109 1 . ASP 105 105 11109 1 . LEU 106 106 11109 1 . GLU 107 107 11109 1 . HIS 108 108 11109 1 . LEU 109 109 11109 1 . SER 110 110 11109 1 . LYS 111 111 11109 1 . PHE 112 112 11109 1 . ILE 113 113 11109 1 . ASP 114 114 11109 1 . GLU 115 115 11109 1 . HIS 116 116 11109 1 . ALA 117 117 11109 1 . THR 118 118 11109 1 . LYS 119 119 11109 1 . ARG 120 120 11109 1 . SER 121 121 11109 1 . ARG 122 122 11109 1 . THR 123 123 11109 1 . LYS 124 124 11109 1 . GLU 125 125 11109 1 . GLU 126 126 11109 1 . LEU 127 127 11109 1 . SER 128 128 11109 1 . GLY 129 129 11109 1 . PRO 130 130 11109 1 . SER 131 131 11109 1 . SER 132 132 11109 1 . GLY 133 133 11109 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 11109 _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 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryotae Metazoause Mus musculusse . . . . . . . . . . . . . . . . . . . . . 11109 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 11109 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P050425-15 . . . . . . 11109 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11109 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.3mM Thioredoxin 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 'Thioredoxin domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.3 . . mM . . . . 11109 1 2 'd-Tris HCl' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11109 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11109 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11109 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11109 1 6 H2O . . . . . . solvent 90 . . % . . . . 11109 1 7 D2O . . . . . . solvent 10 . . % . . . . 11109 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 11109 _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 11109 1 pH 7.0 0.05 pH 11109 1 pressure 1 0.001 atm 11109 1 temperature 296 0.1 K 11109 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11109 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11109 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11109 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11109 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11109 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11109 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11109 _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.' . . 11109 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11109 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11109 _Software.ID 4 _Software.Name Kujira _Software.Version 0.955 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11109 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11109 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11109 _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.' . . 11109 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11109 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 11109 _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 11109 _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 . . . 11109 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 11109 _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 . . . . . . . . . . . . . . . . 11109 1 2 '3D 13C-SEPARATED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11109 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 11109 _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 . . . . . . . . . 11109 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11109 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11109 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 11109 _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 11109 1 2 '3D 13C-SEPARATED NOESY' 1 $sample_1 isotropic 11109 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 . . 11109 1 2 $NMRPipe . . 11109 1 3 $NMRVIEW . . 11109 1 4 $KUJIRA . . 11109 1 5 $CYANA . . 11109 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 4.163 0.030 . 2 . . . . 7 GLY HA2 . 11109 1 2 . 1 1 7 7 GLY CA C 13 44.848 0.300 . 1 . . . . 7 GLY CA . 11109 1 3 . 1 1 8 8 PRO HA H 1 4.400 0.030 . 1 . . . . 8 PRO HA . 11109 1 4 . 1 1 8 8 PRO HB2 H 1 2.156 0.030 . 2 . . . . 8 PRO HB2 . 11109 1 5 . 1 1 8 8 PRO HB3 H 1 1.800 0.030 . 2 . . . . 8 PRO HB3 . 11109 1 6 . 1 1 8 8 PRO HD2 H 1 3.807 0.030 . 2 . . . . 8 PRO HD2 . 11109 1 7 . 1 1 8 8 PRO HD3 H 1 3.634 0.030 . 2 . . . . 8 PRO HD3 . 11109 1 8 . 1 1 8 8 PRO HG2 H 1 2.001 0.030 . 2 . . . . 8 PRO HG2 . 11109 1 9 . 1 1 8 8 PRO HG3 H 1 1.932 0.030 . 2 . . . . 8 PRO HG3 . 11109 1 10 . 1 1 8 8 PRO C C 13 175.968 0.300 . 1 . . . . 8 PRO C . 11109 1 11 . 1 1 8 8 PRO CA C 13 64.235 0.300 . 1 . . . . 8 PRO CA . 11109 1 12 . 1 1 8 8 PRO CB C 13 32.086 0.300 . 1 . . . . 8 PRO CB . 11109 1 13 . 1 1 8 8 PRO CD C 13 49.627 0.300 . 1 . . . . 8 PRO CD . 11109 1 14 . 1 1 8 8 PRO CG C 13 27.400 0.300 . 1 . . . . 8 PRO CG . 11109 1 15 . 1 1 9 9 VAL H H 1 7.553 0.030 . 1 . . . . 9 VAL H . 11109 1 16 . 1 1 9 9 VAL HA H 1 4.228 0.030 . 1 . . . . 9 VAL HA . 11109 1 17 . 1 1 9 9 VAL HB H 1 1.990 0.030 . 1 . . . . 9 VAL HB . 11109 1 18 . 1 1 9 9 VAL HG11 H 1 0.921 0.030 . 1 . . . . 9 VAL HG1 . 11109 1 19 . 1 1 9 9 VAL HG12 H 1 0.921 0.030 . 1 . . . . 9 VAL HG1 . 11109 1 20 . 1 1 9 9 VAL HG13 H 1 0.921 0.030 . 1 . . . . 9 VAL HG1 . 11109 1 21 . 1 1 9 9 VAL HG21 H 1 0.870 0.030 . 1 . . . . 9 VAL HG2 . 11109 1 22 . 1 1 9 9 VAL HG22 H 1 0.870 0.030 . 1 . . . . 9 VAL HG2 . 11109 1 23 . 1 1 9 9 VAL HG23 H 1 0.870 0.030 . 1 . . . . 9 VAL HG2 . 11109 1 24 . 1 1 9 9 VAL C C 13 175.726 0.300 . 1 . . . . 9 VAL C . 11109 1 25 . 1 1 9 9 VAL CA C 13 61.605 0.300 . 1 . . . . 9 VAL CA . 11109 1 26 . 1 1 9 9 VAL CB C 13 32.885 0.300 . 1 . . . . 9 VAL CB . 11109 1 27 . 1 1 9 9 VAL CG1 C 13 21.212 0.300 . 2 . . . . 9 VAL CG1 . 11109 1 28 . 1 1 9 9 VAL CG2 C 13 22.335 0.300 . 2 . . . . 9 VAL CG2 . 11109 1 29 . 1 1 9 9 VAL N N 15 118.201 0.300 . 1 . . . . 9 VAL N . 11109 1 30 . 1 1 10 10 LYS H H 1 9.101 0.030 . 1 . . . . 10 LYS H . 11109 1 31 . 1 1 10 10 LYS HA H 1 4.368 0.030 . 1 . . . . 10 LYS HA . 11109 1 32 . 1 1 10 10 LYS HB2 H 1 1.721 0.030 . 1 . . . . 10 LYS HB2 . 11109 1 33 . 1 1 10 10 LYS HB3 H 1 1.721 0.030 . 1 . . . . 10 LYS HB3 . 11109 1 34 . 1 1 10 10 LYS HD2 H 1 1.733 0.030 . 2 . . . . 10 LYS HD2 . 11109 1 35 . 1 1 10 10 LYS HD3 H 1 1.684 0.030 . 2 . . . . 10 LYS HD3 . 11109 1 36 . 1 1 10 10 LYS HE2 H 1 3.021 0.030 . 1 . . . . 10 LYS HE2 . 11109 1 37 . 1 1 10 10 LYS HE3 H 1 3.021 0.030 . 1 . . . . 10 LYS HE3 . 11109 1 38 . 1 1 10 10 LYS HG2 H 1 1.442 0.030 . 1 . . . . 10 LYS HG2 . 11109 1 39 . 1 1 10 10 LYS HG3 H 1 1.442 0.030 . 1 . . . . 10 LYS HG3 . 11109 1 40 . 1 1 10 10 LYS C C 13 175.368 0.300 . 1 . . . . 10 LYS C . 11109 1 41 . 1 1 10 10 LYS CA C 13 55.394 0.300 . 1 . . . . 10 LYS CA . 11109 1 42 . 1 1 10 10 LYS CB C 13 32.843 0.300 . 1 . . . . 10 LYS CB . 11109 1 43 . 1 1 10 10 LYS CD C 13 28.527 0.300 . 1 . . . . 10 LYS CD . 11109 1 44 . 1 1 10 10 LYS CE C 13 42.222 0.300 . 1 . . . . 10 LYS CE . 11109 1 45 . 1 1 10 10 LYS CG C 13 24.875 0.300 . 1 . . . . 10 LYS CG . 11109 1 46 . 1 1 10 10 LYS N N 15 130.070 0.300 . 1 . . . . 10 LYS N . 11109 1 47 . 1 1 11 11 VAL H H 1 8.534 0.030 . 1 . . . . 11 VAL H . 11109 1 48 . 1 1 11 11 VAL HA H 1 4.235 0.030 . 1 . . . . 11 VAL HA . 11109 1 49 . 1 1 11 11 VAL HB H 1 2.005 0.030 . 1 . . . . 11 VAL HB . 11109 1 50 . 1 1 11 11 VAL HG11 H 1 1.043 0.030 . 1 . . . . 11 VAL HG1 . 11109 1 51 . 1 1 11 11 VAL HG12 H 1 1.043 0.030 . 1 . . . . 11 VAL HG1 . 11109 1 52 . 1 1 11 11 VAL HG13 H 1 1.043 0.030 . 1 . . . . 11 VAL HG1 . 11109 1 53 . 1 1 11 11 VAL HG21 H 1 0.935 0.030 . 1 . . . . 11 VAL HG2 . 11109 1 54 . 1 1 11 11 VAL HG22 H 1 0.935 0.030 . 1 . . . . 11 VAL HG2 . 11109 1 55 . 1 1 11 11 VAL HG23 H 1 0.935 0.030 . 1 . . . . 11 VAL HG2 . 11109 1 56 . 1 1 11 11 VAL C C 13 175.387 0.300 . 1 . . . . 11 VAL C . 11109 1 57 . 1 1 11 11 VAL CA C 13 63.528 0.300 . 1 . . . . 11 VAL CA . 11109 1 58 . 1 1 11 11 VAL CB C 13 32.455 0.300 . 1 . . . . 11 VAL CB . 11109 1 59 . 1 1 11 11 VAL CG1 C 13 22.198 0.300 . 2 . . . . 11 VAL CG1 . 11109 1 60 . 1 1 11 11 VAL CG2 C 13 21.170 0.300 . 2 . . . . 11 VAL CG2 . 11109 1 61 . 1 1 11 11 VAL N N 15 126.779 0.300 . 1 . . . . 11 VAL N . 11109 1 62 . 1 1 12 12 VAL H H 1 8.921 0.030 . 1 . . . . 12 VAL H . 11109 1 63 . 1 1 12 12 VAL HA H 1 3.910 0.030 . 1 . . . . 12 VAL HA . 11109 1 64 . 1 1 12 12 VAL HB H 1 1.729 0.030 . 1 . . . . 12 VAL HB . 11109 1 65 . 1 1 12 12 VAL HG11 H 1 1.080 0.030 . 1 . . . . 12 VAL HG1 . 11109 1 66 . 1 1 12 12 VAL HG12 H 1 1.080 0.030 . 1 . . . . 12 VAL HG1 . 11109 1 67 . 1 1 12 12 VAL HG13 H 1 1.080 0.030 . 1 . . . . 12 VAL HG1 . 11109 1 68 . 1 1 12 12 VAL HG21 H 1 0.748 0.030 . 1 . . . . 12 VAL HG2 . 11109 1 69 . 1 1 12 12 VAL HG22 H 1 0.748 0.030 . 1 . . . . 12 VAL HG2 . 11109 1 70 . 1 1 12 12 VAL HG23 H 1 0.748 0.030 . 1 . . . . 12 VAL HG2 . 11109 1 71 . 1 1 12 12 VAL C C 13 173.961 0.300 . 1 . . . . 12 VAL C . 11109 1 72 . 1 1 12 12 VAL CA C 13 61.650 0.300 . 1 . . . . 12 VAL CA . 11109 1 73 . 1 1 12 12 VAL CB C 13 33.971 0.300 . 1 . . . . 12 VAL CB . 11109 1 74 . 1 1 12 12 VAL CG1 C 13 22.797 0.300 . 2 . . . . 12 VAL CG1 . 11109 1 75 . 1 1 12 12 VAL CG2 C 13 23.761 0.300 . 2 . . . . 12 VAL CG2 . 11109 1 76 . 1 1 12 12 VAL N N 15 130.743 0.300 . 1 . . . . 12 VAL N . 11109 1 77 . 1 1 13 13 VAL H H 1 7.623 0.030 . 1 . . . . 13 VAL H . 11109 1 78 . 1 1 13 13 VAL HA H 1 4.658 0.030 . 1 . . . . 13 VAL HA . 11109 1 79 . 1 1 13 13 VAL HB H 1 2.614 0.030 . 1 . . . . 13 VAL HB . 11109 1 80 . 1 1 13 13 VAL HG11 H 1 0.955 0.030 . 1 . . . . 13 VAL HG1 . 11109 1 81 . 1 1 13 13 VAL HG12 H 1 0.955 0.030 . 1 . . . . 13 VAL HG1 . 11109 1 82 . 1 1 13 13 VAL HG13 H 1 0.955 0.030 . 1 . . . . 13 VAL HG1 . 11109 1 83 . 1 1 13 13 VAL HG21 H 1 0.957 0.030 . 1 . . . . 13 VAL HG2 . 11109 1 84 . 1 1 13 13 VAL HG22 H 1 0.957 0.030 . 1 . . . . 13 VAL HG2 . 11109 1 85 . 1 1 13 13 VAL HG23 H 1 0.957 0.030 . 1 . . . . 13 VAL HG2 . 11109 1 86 . 1 1 13 13 VAL C C 13 177.120 0.300 . 1 . . . . 13 VAL C . 11109 1 87 . 1 1 13 13 VAL CA C 13 59.217 0.300 . 1 . . . . 13 VAL CA . 11109 1 88 . 1 1 13 13 VAL CB C 13 35.143 0.300 . 1 . . . . 13 VAL CB . 11109 1 89 . 1 1 13 13 VAL CG1 C 13 22.156 0.300 . 2 . . . . 13 VAL CG1 . 11109 1 90 . 1 1 13 13 VAL CG2 C 13 19.139 0.300 . 2 . . . . 13 VAL CG2 . 11109 1 91 . 1 1 13 13 VAL N N 15 117.729 0.300 . 1 . . . . 13 VAL N . 11109 1 92 . 1 1 14 14 GLY H H 1 8.746 0.030 . 1 . . . . 14 GLY H . 11109 1 93 . 1 1 14 14 GLY HA2 H 1 3.702 0.030 . 2 . . . . 14 GLY HA2 . 11109 1 94 . 1 1 14 14 GLY HA3 H 1 4.275 0.030 . 2 . . . . 14 GLY HA3 . 11109 1 95 . 1 1 14 14 GLY C C 13 177.462 0.300 . 1 . . . . 14 GLY C . 11109 1 96 . 1 1 14 14 GLY CA C 13 48.670 0.300 . 1 . . . . 14 GLY CA . 11109 1 97 . 1 1 14 14 GLY N N 15 110.446 0.300 . 1 . . . . 14 GLY N . 11109 1 98 . 1 1 15 15 LYS H H 1 8.587 0.030 . 1 . . . . 15 LYS H . 11109 1 99 . 1 1 15 15 LYS HA H 1 4.363 0.030 . 1 . . . . 15 LYS HA . 11109 1 100 . 1 1 15 15 LYS HB2 H 1 1.927 0.030 . 1 . . . . 15 LYS HB2 . 11109 1 101 . 1 1 15 15 LYS HB3 H 1 1.927 0.030 . 1 . . . . 15 LYS HB3 . 11109 1 102 . 1 1 15 15 LYS HD2 H 1 1.726 0.030 . 2 . . . . 15 LYS HD2 . 11109 1 103 . 1 1 15 15 LYS HE2 H 1 3.016 0.030 . 1 . . . . 15 LYS HE2 . 11109 1 104 . 1 1 15 15 LYS HE3 H 1 3.016 0.030 . 1 . . . . 15 LYS HE3 . 11109 1 105 . 1 1 15 15 LYS HG2 H 1 1.562 0.030 . 1 . . . . 15 LYS HG2 . 11109 1 106 . 1 1 15 15 LYS HG3 H 1 1.562 0.030 . 1 . . . . 15 LYS HG3 . 11109 1 107 . 1 1 15 15 LYS C C 13 177.449 0.300 . 1 . . . . 15 LYS C . 11109 1 108 . 1 1 15 15 LYS CA C 13 58.184 0.300 . 1 . . . . 15 LYS CA . 11109 1 109 . 1 1 15 15 LYS CB C 13 32.895 0.300 . 1 . . . . 15 LYS CB . 11109 1 110 . 1 1 15 15 LYS CD C 13 29.192 0.300 . 1 . . . . 15 LYS CD . 11109 1 111 . 1 1 15 15 LYS CE C 13 42.219 0.300 . 1 . . . . 15 LYS CE . 11109 1 112 . 1 1 15 15 LYS CG C 13 25.360 0.300 . 1 . . . . 15 LYS CG . 11109 1 113 . 1 1 15 15 LYS N N 15 116.552 0.300 . 1 . . . . 15 LYS N . 11109 1 114 . 1 1 16 16 THR H H 1 7.781 0.030 . 1 . . . . 16 THR H . 11109 1 115 . 1 1 16 16 THR HA H 1 4.687 0.030 . 1 . . . . 16 THR HA . 11109 1 116 . 1 1 16 16 THR HB H 1 4.751 0.030 . 1 . . . . 16 THR HB . 11109 1 117 . 1 1 16 16 THR HG21 H 1 1.115 0.030 . 1 . . . . 16 THR HG2 . 11109 1 118 . 1 1 16 16 THR HG22 H 1 1.115 0.030 . 1 . . . . 16 THR HG2 . 11109 1 119 . 1 1 16 16 THR HG23 H 1 1.115 0.030 . 1 . . . . 16 THR HG2 . 11109 1 120 . 1 1 16 16 THR C C 13 173.837 0.300 . 1 . . . . 16 THR C . 11109 1 121 . 1 1 16 16 THR CA C 13 60.768 0.300 . 1 . . . . 16 THR CA . 11109 1 122 . 1 1 16 16 THR CB C 13 69.517 0.300 . 1 . . . . 16 THR CB . 11109 1 123 . 1 1 16 16 THR CG2 C 13 22.197 0.300 . 1 . . . . 16 THR CG2 . 11109 1 124 . 1 1 16 16 THR N N 15 108.393 0.300 . 1 . . . . 16 THR N . 11109 1 125 . 1 1 17 17 PHE H H 1 7.544 0.030 . 1 . . . . 17 PHE H . 11109 1 126 . 1 1 17 17 PHE HA H 1 3.743 0.030 . 1 . . . . 17 PHE HA . 11109 1 127 . 1 1 17 17 PHE HB2 H 1 3.176 0.030 . 2 . . . . 17 PHE HB2 . 11109 1 128 . 1 1 17 17 PHE HB3 H 1 2.973 0.030 . 2 . . . . 17 PHE HB3 . 11109 1 129 . 1 1 17 17 PHE HD1 H 1 7.189 0.030 . 1 . . . . 17 PHE HD1 . 11109 1 130 . 1 1 17 17 PHE HD2 H 1 7.189 0.030 . 1 . . . . 17 PHE HD2 . 11109 1 131 . 1 1 17 17 PHE HE1 H 1 7.009 0.030 . 1 . . . . 17 PHE HE1 . 11109 1 132 . 1 1 17 17 PHE HE2 H 1 7.009 0.030 . 1 . . . . 17 PHE HE2 . 11109 1 133 . 1 1 17 17 PHE HZ H 1 6.115 0.030 . 1 . . . . 17 PHE HZ . 11109 1 134 . 1 1 17 17 PHE C C 13 177.204 0.300 . 1 . . . . 17 PHE C . 11109 1 135 . 1 1 17 17 PHE CA C 13 63.019 0.300 . 1 . . . . 17 PHE CA . 11109 1 136 . 1 1 17 17 PHE CB C 13 40.049 0.300 . 1 . . . . 17 PHE CB . 11109 1 137 . 1 1 17 17 PHE CD1 C 13 132.593 0.300 . 1 . . . . 17 PHE CD1 . 11109 1 138 . 1 1 17 17 PHE CD2 C 13 132.593 0.300 . 1 . . . . 17 PHE CD2 . 11109 1 139 . 1 1 17 17 PHE CE1 C 13 130.737 0.300 . 1 . . . . 17 PHE CE1 . 11109 1 140 . 1 1 17 17 PHE CE2 C 13 130.737 0.300 . 1 . . . . 17 PHE CE2 . 11109 1 141 . 1 1 17 17 PHE CZ C 13 129.154 0.300 . 1 . . . . 17 PHE CZ . 11109 1 142 . 1 1 17 17 PHE N N 15 123.974 0.300 . 1 . . . . 17 PHE N . 11109 1 143 . 1 1 18 18 ASP H H 1 9.029 0.030 . 1 . . . . 18 ASP H . 11109 1 144 . 1 1 18 18 ASP HA H 1 4.072 0.030 . 1 . . . . 18 ASP HA . 11109 1 145 . 1 1 18 18 ASP HB2 H 1 2.636 0.030 . 2 . . . . 18 ASP HB2 . 11109 1 146 . 1 1 18 18 ASP HB3 H 1 2.523 0.030 . 2 . . . . 18 ASP HB3 . 11109 1 147 . 1 1 18 18 ASP C C 13 178.182 0.300 . 1 . . . . 18 ASP C . 11109 1 148 . 1 1 18 18 ASP CA C 13 57.655 0.300 . 1 . . . . 18 ASP CA . 11109 1 149 . 1 1 18 18 ASP CB C 13 39.742 0.300 . 1 . . . . 18 ASP CB . 11109 1 150 . 1 1 18 18 ASP N N 15 119.956 0.300 . 1 . . . . 18 ASP N . 11109 1 151 . 1 1 19 19 ALA H H 1 8.039 0.030 . 1 . . . . 19 ALA H . 11109 1 152 . 1 1 19 19 ALA HA H 1 3.920 0.030 . 1 . . . . 19 ALA HA . 11109 1 153 . 1 1 19 19 ALA HB1 H 1 1.405 0.030 . 1 . . . . 19 ALA HB . 11109 1 154 . 1 1 19 19 ALA HB2 H 1 1.405 0.030 . 1 . . . . 19 ALA HB . 11109 1 155 . 1 1 19 19 ALA HB3 H 1 1.405 0.030 . 1 . . . . 19 ALA HB . 11109 1 156 . 1 1 19 19 ALA C C 13 179.002 0.300 . 1 . . . . 19 ALA C . 11109 1 157 . 1 1 19 19 ALA CA C 13 54.411 0.300 . 1 . . . . 19 ALA CA . 11109 1 158 . 1 1 19 19 ALA CB C 13 18.658 0.300 . 1 . . . . 19 ALA CB . 11109 1 159 . 1 1 19 19 ALA N N 15 120.720 0.300 . 1 . . . . 19 ALA N . 11109 1 160 . 1 1 20 20 ILE H H 1 7.882 0.030 . 1 . . . . 20 ILE H . 11109 1 161 . 1 1 20 20 ILE HA H 1 4.118 0.030 . 1 . . . . 20 ILE HA . 11109 1 162 . 1 1 20 20 ILE HB H 1 1.544 0.030 . 1 . . . . 20 ILE HB . 11109 1 163 . 1 1 20 20 ILE HD11 H 1 0.922 0.030 . 1 . . . . 20 ILE HD1 . 11109 1 164 . 1 1 20 20 ILE HD12 H 1 0.922 0.030 . 1 . . . . 20 ILE HD1 . 11109 1 165 . 1 1 20 20 ILE HD13 H 1 0.922 0.030 . 1 . . . . 20 ILE HD1 . 11109 1 166 . 1 1 20 20 ILE HG12 H 1 1.782 0.030 . 2 . . . . 20 ILE HG12 . 11109 1 167 . 1 1 20 20 ILE HG13 H 1 1.116 0.030 . 2 . . . . 20 ILE HG13 . 11109 1 168 . 1 1 20 20 ILE HG21 H 1 0.588 0.030 . 1 . . . . 20 ILE HG2 . 11109 1 169 . 1 1 20 20 ILE HG22 H 1 0.588 0.030 . 1 . . . . 20 ILE HG2 . 11109 1 170 . 1 1 20 20 ILE HG23 H 1 0.588 0.030 . 1 . . . . 20 ILE HG2 . 11109 1 171 . 1 1 20 20 ILE C C 13 177.013 0.300 . 1 . . . . 20 ILE C . 11109 1 172 . 1 1 20 20 ILE CA C 13 62.618 0.300 . 1 . . . . 20 ILE CA . 11109 1 173 . 1 1 20 20 ILE CB C 13 39.100 0.300 . 1 . . . . 20 ILE CB . 11109 1 174 . 1 1 20 20 ILE CD1 C 13 13.875 0.300 . 1 . . . . 20 ILE CD1 . 11109 1 175 . 1 1 20 20 ILE CG1 C 13 28.367 0.300 . 1 . . . . 20 ILE CG1 . 11109 1 176 . 1 1 20 20 ILE CG2 C 13 16.439 0.300 . 1 . . . . 20 ILE CG2 . 11109 1 177 . 1 1 20 20 ILE N N 15 113.381 0.300 . 1 . . . . 20 ILE N . 11109 1 178 . 1 1 21 21 VAL H H 1 8.179 0.030 . 1 . . . . 21 VAL H . 11109 1 179 . 1 1 21 21 VAL HA H 1 3.253 0.030 . 1 . . . . 21 VAL HA . 11109 1 180 . 1 1 21 21 VAL HB H 1 0.663 0.030 . 1 . . . . 21 VAL HB . 11109 1 181 . 1 1 21 21 VAL HG11 H 1 0.221 0.030 . 1 . . . . 21 VAL HG1 . 11109 1 182 . 1 1 21 21 VAL HG12 H 1 0.221 0.030 . 1 . . . . 21 VAL HG1 . 11109 1 183 . 1 1 21 21 VAL HG13 H 1 0.221 0.030 . 1 . . . . 21 VAL HG1 . 11109 1 184 . 1 1 21 21 VAL HG21 H 1 0.279 0.030 . 1 . . . . 21 VAL HG2 . 11109 1 185 . 1 1 21 21 VAL HG22 H 1 0.279 0.030 . 1 . . . . 21 VAL HG2 . 11109 1 186 . 1 1 21 21 VAL HG23 H 1 0.279 0.030 . 1 . . . . 21 VAL HG2 . 11109 1 187 . 1 1 21 21 VAL C C 13 177.010 0.300 . 1 . . . . 21 VAL C . 11109 1 188 . 1 1 21 21 VAL CA C 13 65.763 0.300 . 1 . . . . 21 VAL CA . 11109 1 189 . 1 1 21 21 VAL CB C 13 30.533 0.300 . 1 . . . . 21 VAL CB . 11109 1 190 . 1 1 21 21 VAL CG1 C 13 20.961 0.300 . 2 . . . . 21 VAL CG1 . 11109 1 191 . 1 1 21 21 VAL CG2 C 13 23.432 0.300 . 2 . . . . 21 VAL CG2 . 11109 1 192 . 1 1 21 21 VAL N N 15 117.152 0.300 . 1 . . . . 21 VAL N . 11109 1 193 . 1 1 22 22 MET H H 1 6.755 0.030 . 1 . . . . 22 MET H . 11109 1 194 . 1 1 22 22 MET HA H 1 4.356 0.030 . 1 . . . . 22 MET HA . 11109 1 195 . 1 1 22 22 MET HB2 H 1 2.576 0.030 . 2 . . . . 22 MET HB2 . 11109 1 196 . 1 1 22 22 MET HB3 H 1 2.165 0.030 . 2 . . . . 22 MET HB3 . 11109 1 197 . 1 1 22 22 MET HE1 H 1 1.928 0.030 . 1 . . . . 22 MET HE . 11109 1 198 . 1 1 22 22 MET HE2 H 1 1.928 0.030 . 1 . . . . 22 MET HE . 11109 1 199 . 1 1 22 22 MET HE3 H 1 1.928 0.030 . 1 . . . . 22 MET HE . 11109 1 200 . 1 1 22 22 MET HG2 H 1 2.783 0.030 . 2 . . . . 22 MET HG2 . 11109 1 201 . 1 1 22 22 MET HG3 H 1 2.073 0.030 . 2 . . . . 22 MET HG3 . 11109 1 202 . 1 1 22 22 MET C C 13 174.998 0.300 . 1 . . . . 22 MET C . 11109 1 203 . 1 1 22 22 MET CA C 13 53.016 0.300 . 1 . . . . 22 MET CA . 11109 1 204 . 1 1 22 22 MET CB C 13 28.705 0.300 . 1 . . . . 22 MET CB . 11109 1 205 . 1 1 22 22 MET CE C 13 17.481 0.300 . 1 . . . . 22 MET CE . 11109 1 206 . 1 1 22 22 MET CG C 13 32.414 0.300 . 1 . . . . 22 MET CG . 11109 1 207 . 1 1 22 22 MET N N 15 113.162 0.300 . 1 . . . . 22 MET N . 11109 1 208 . 1 1 23 23 ASP H H 1 6.039 0.030 . 1 . . . . 23 ASP H . 11109 1 209 . 1 1 23 23 ASP HA H 1 4.529 0.030 . 1 . . . . 23 ASP HA . 11109 1 210 . 1 1 23 23 ASP HB2 H 1 2.796 0.030 . 2 . . . . 23 ASP HB2 . 11109 1 211 . 1 1 23 23 ASP HB3 H 1 2.527 0.030 . 2 . . . . 23 ASP HB3 . 11109 1 212 . 1 1 23 23 ASP C C 13 175.514 0.300 . 1 . . . . 23 ASP C . 11109 1 213 . 1 1 23 23 ASP CA C 13 51.531 0.300 . 1 . . . . 23 ASP CA . 11109 1 214 . 1 1 23 23 ASP CB C 13 42.357 0.300 . 1 . . . . 23 ASP CB . 11109 1 215 . 1 1 23 23 ASP N N 15 119.743 0.300 . 1 . . . . 23 ASP N . 11109 1 216 . 1 1 24 24 PRO HA H 1 4.707 0.030 . 1 . . . . 24 PRO HA . 11109 1 217 . 1 1 24 24 PRO HB2 H 1 2.375 0.030 . 2 . . . . 24 PRO HB2 . 11109 1 218 . 1 1 24 24 PRO HB3 H 1 2.032 0.030 . 2 . . . . 24 PRO HB3 . 11109 1 219 . 1 1 24 24 PRO HD2 H 1 4.106 0.030 . 2 . . . . 24 PRO HD2 . 11109 1 220 . 1 1 24 24 PRO HD3 H 1 3.967 0.030 . 2 . . . . 24 PRO HD3 . 11109 1 221 . 1 1 24 24 PRO HG2 H 1 2.110 0.030 . 2 . . . . 24 PRO HG2 . 11109 1 222 . 1 1 24 24 PRO HG3 H 1 1.907 0.030 . 2 . . . . 24 PRO HG3 . 11109 1 223 . 1 1 24 24 PRO C C 13 177.425 0.300 . 1 . . . . 24 PRO C . 11109 1 224 . 1 1 24 24 PRO CA C 13 63.623 0.300 . 1 . . . . 24 PRO CA . 11109 1 225 . 1 1 24 24 PRO CB C 13 32.374 0.300 . 1 . . . . 24 PRO CB . 11109 1 226 . 1 1 24 24 PRO CD C 13 50.927 0.300 . 1 . . . . 24 PRO CD . 11109 1 227 . 1 1 24 24 PRO CG C 13 27.056 0.300 . 1 . . . . 24 PRO CG . 11109 1 228 . 1 1 25 25 LYS H H 1 8.432 0.030 . 1 . . . . 25 LYS H . 11109 1 229 . 1 1 25 25 LYS HA H 1 4.284 0.030 . 1 . . . . 25 LYS HA . 11109 1 230 . 1 1 25 25 LYS HB2 H 1 1.876 0.030 . 2 . . . . 25 LYS HB2 . 11109 1 231 . 1 1 25 25 LYS HE2 H 1 3.015 0.030 . 2 . . . . 25 LYS HE2 . 11109 1 232 . 1 1 25 25 LYS HG2 H 1 1.375 0.030 . 2 . . . . 25 LYS HG2 . 11109 1 233 . 1 1 25 25 LYS HG3 H 1 1.473 0.030 . 2 . . . . 25 LYS HG3 . 11109 1 234 . 1 1 25 25 LYS C C 13 176.931 0.300 . 1 . . . . 25 LYS C . 11109 1 235 . 1 1 25 25 LYS CA C 13 56.149 0.300 . 1 . . . . 25 LYS CA . 11109 1 236 . 1 1 25 25 LYS CB C 13 32.626 0.300 . 1 . . . . 25 LYS CB . 11109 1 237 . 1 1 25 25 LYS CD C 13 28.643 0.300 . 1 . . . . 25 LYS CD . 11109 1 238 . 1 1 25 25 LYS CE C 13 41.808 0.300 . 1 . . . . 25 LYS CE . 11109 1 239 . 1 1 25 25 LYS CG C 13 25.317 0.300 . 1 . . . . 25 LYS CG . 11109 1 240 . 1 1 25 25 LYS N N 15 116.391 0.300 . 1 . . . . 25 LYS N . 11109 1 241 . 1 1 26 26 LYS H H 1 7.239 0.030 . 1 . . . . 26 LYS H . 11109 1 242 . 1 1 26 26 LYS HA H 1 4.826 0.030 . 1 . . . . 26 LYS HA . 11109 1 243 . 1 1 26 26 LYS HB2 H 1 1.502 0.030 . 2 . . . . 26 LYS HB2 . 11109 1 244 . 1 1 26 26 LYS HB3 H 1 1.343 0.030 . 2 . . . . 26 LYS HB3 . 11109 1 245 . 1 1 26 26 LYS HD2 H 1 1.614 0.030 . 2 . . . . 26 LYS HD2 . 11109 1 246 . 1 1 26 26 LYS HD3 H 1 1.365 0.030 . 2 . . . . 26 LYS HD3 . 11109 1 247 . 1 1 26 26 LYS HE2 H 1 3.012 0.030 . 2 . . . . 26 LYS HE2 . 11109 1 248 . 1 1 26 26 LYS HE3 H 1 2.907 0.030 . 2 . . . . 26 LYS HE3 . 11109 1 249 . 1 1 26 26 LYS HG2 H 1 1.087 0.030 . 2 . . . . 26 LYS HG2 . 11109 1 250 . 1 1 26 26 LYS HG3 H 1 1.352 0.030 . 2 . . . . 26 LYS HG3 . 11109 1 251 . 1 1 26 26 LYS C C 13 176.784 0.300 . 1 . . . . 26 LYS C . 11109 1 252 . 1 1 26 26 LYS CA C 13 53.765 0.300 . 1 . . . . 26 LYS CA . 11109 1 253 . 1 1 26 26 LYS CB C 13 36.134 0.300 . 1 . . . . 26 LYS CB . 11109 1 254 . 1 1 26 26 LYS CD C 13 29.378 0.300 . 1 . . . . 26 LYS CD . 11109 1 255 . 1 1 26 26 LYS CE C 13 42.631 0.300 . 1 . . . . 26 LYS CE . 11109 1 256 . 1 1 26 26 LYS CG C 13 24.901 0.300 . 1 . . . . 26 LYS CG . 11109 1 257 . 1 1 26 26 LYS N N 15 115.839 0.300 . 1 . . . . 26 LYS N . 11109 1 258 . 1 1 27 27 ASP H H 1 8.657 0.030 . 1 . . . . 27 ASP H . 11109 1 259 . 1 1 27 27 ASP HA H 1 4.683 0.030 . 1 . . . . 27 ASP HA . 11109 1 260 . 1 1 27 27 ASP HB2 H 1 2.774 0.030 . 2 . . . . 27 ASP HB2 . 11109 1 261 . 1 1 27 27 ASP HB3 H 1 2.526 0.030 . 2 . . . . 27 ASP HB3 . 11109 1 262 . 1 1 27 27 ASP C C 13 175.415 0.300 . 1 . . . . 27 ASP C . 11109 1 263 . 1 1 27 27 ASP CA C 13 53.765 0.300 . 1 . . . . 27 ASP CA . 11109 1 264 . 1 1 27 27 ASP CB C 13 42.710 0.300 . 1 . . . . 27 ASP CB . 11109 1 265 . 1 1 27 27 ASP N N 15 123.829 0.300 . 1 . . . . 27 ASP N . 11109 1 266 . 1 1 28 28 VAL H H 1 7.516 0.030 . 1 . . . . 28 VAL H . 11109 1 267 . 1 1 28 28 VAL HA H 1 5.011 0.030 . 1 . . . . 28 VAL HA . 11109 1 268 . 1 1 28 28 VAL HB H 1 1.793 0.030 . 1 . . . . 28 VAL HB . 11109 1 269 . 1 1 28 28 VAL HG11 H 1 0.622 0.030 . 1 . . . . 28 VAL HG1 . 11109 1 270 . 1 1 28 28 VAL HG12 H 1 0.622 0.030 . 1 . . . . 28 VAL HG1 . 11109 1 271 . 1 1 28 28 VAL HG13 H 1 0.622 0.030 . 1 . . . . 28 VAL HG1 . 11109 1 272 . 1 1 28 28 VAL HG21 H 1 0.845 0.030 . 1 . . . . 28 VAL HG2 . 11109 1 273 . 1 1 28 28 VAL HG22 H 1 0.845 0.030 . 1 . . . . 28 VAL HG2 . 11109 1 274 . 1 1 28 28 VAL HG23 H 1 0.845 0.030 . 1 . . . . 28 VAL HG2 . 11109 1 275 . 1 1 28 28 VAL C C 13 173.159 0.300 . 1 . . . . 28 VAL C . 11109 1 276 . 1 1 28 28 VAL CA C 13 59.951 0.300 . 1 . . . . 28 VAL CA . 11109 1 277 . 1 1 28 28 VAL CB C 13 36.030 0.300 . 1 . . . . 28 VAL CB . 11109 1 278 . 1 1 28 28 VAL CG1 C 13 20.710 0.300 . 2 . . . . 28 VAL CG1 . 11109 1 279 . 1 1 28 28 VAL CG2 C 13 20.690 0.300 . 2 . . . . 28 VAL CG2 . 11109 1 280 . 1 1 28 28 VAL N N 15 120.530 0.300 . 1 . . . . 28 VAL N . 11109 1 281 . 1 1 29 29 LEU H H 1 8.940 0.030 . 1 . . . . 29 LEU H . 11109 1 282 . 1 1 29 29 LEU HA H 1 5.275 0.030 . 1 . . . . 29 LEU HA . 11109 1 283 . 1 1 29 29 LEU HB2 H 1 2.245 0.030 . 2 . . . . 29 LEU HB2 . 11109 1 284 . 1 1 29 29 LEU HB3 H 1 1.057 0.030 . 2 . . . . 29 LEU HB3 . 11109 1 285 . 1 1 29 29 LEU HD11 H 1 1.279 0.030 . 1 . . . . 29 LEU HD1 . 11109 1 286 . 1 1 29 29 LEU HD12 H 1 1.279 0.030 . 1 . . . . 29 LEU HD1 . 11109 1 287 . 1 1 29 29 LEU HD13 H 1 1.279 0.030 . 1 . . . . 29 LEU HD1 . 11109 1 288 . 1 1 29 29 LEU HD21 H 1 0.964 0.030 . 1 . . . . 29 LEU HD2 . 11109 1 289 . 1 1 29 29 LEU HD22 H 1 0.964 0.030 . 1 . . . . 29 LEU HD2 . 11109 1 290 . 1 1 29 29 LEU HD23 H 1 0.964 0.030 . 1 . . . . 29 LEU HD2 . 11109 1 291 . 1 1 29 29 LEU HG H 1 1.875 0.030 . 1 . . . . 29 LEU HG . 11109 1 292 . 1 1 29 29 LEU C C 13 173.702 0.300 . 1 . . . . 29 LEU C . 11109 1 293 . 1 1 29 29 LEU CA C 13 53.251 0.300 . 1 . . . . 29 LEU CA . 11109 1 294 . 1 1 29 29 LEU CB C 13 44.934 0.300 . 1 . . . . 29 LEU CB . 11109 1 295 . 1 1 29 29 LEU CD1 C 13 25.998 0.300 . 2 . . . . 29 LEU CD1 . 11109 1 296 . 1 1 29 29 LEU CD2 C 13 28.643 0.300 . 2 . . . . 29 LEU CD2 . 11109 1 297 . 1 1 29 29 LEU CG C 13 26.818 0.300 . 1 . . . . 29 LEU CG . 11109 1 298 . 1 1 29 29 LEU N N 15 130.238 0.300 . 1 . . . . 29 LEU N . 11109 1 299 . 1 1 30 30 ILE H H 1 9.657 0.030 . 1 . . . . 30 ILE H . 11109 1 300 . 1 1 30 30 ILE HA H 1 5.054 0.030 . 1 . . . . 30 ILE HA . 11109 1 301 . 1 1 30 30 ILE HB H 1 1.244 0.030 . 1 . . . . 30 ILE HB . 11109 1 302 . 1 1 30 30 ILE HD11 H 1 0.475 0.030 . 1 . . . . 30 ILE HD1 . 11109 1 303 . 1 1 30 30 ILE HD12 H 1 0.475 0.030 . 1 . . . . 30 ILE HD1 . 11109 1 304 . 1 1 30 30 ILE HD13 H 1 0.475 0.030 . 1 . . . . 30 ILE HD1 . 11109 1 305 . 1 1 30 30 ILE HG12 H 1 0.690 0.030 . 2 . . . . 30 ILE HG12 . 11109 1 306 . 1 1 30 30 ILE HG13 H 1 0.408 0.030 . 2 . . . . 30 ILE HG13 . 11109 1 307 . 1 1 30 30 ILE HG21 H 1 1.108 0.030 . 1 . . . . 30 ILE HG2 . 11109 1 308 . 1 1 30 30 ILE HG22 H 1 1.108 0.030 . 1 . . . . 30 ILE HG2 . 11109 1 309 . 1 1 30 30 ILE HG23 H 1 1.108 0.030 . 1 . . . . 30 ILE HG2 . 11109 1 310 . 1 1 30 30 ILE C C 13 170.940 0.300 . 1 . . . . 30 ILE C . 11109 1 311 . 1 1 30 30 ILE CA C 13 55.512 0.300 . 1 . . . . 30 ILE CA . 11109 1 312 . 1 1 30 30 ILE CB C 13 42.411 0.300 . 1 . . . . 30 ILE CB . 11109 1 313 . 1 1 30 30 ILE CD1 C 13 14.831 0.300 . 1 . . . . 30 ILE CD1 . 11109 1 314 . 1 1 30 30 ILE CG1 C 13 29.850 0.300 . 1 . . . . 30 ILE CG1 . 11109 1 315 . 1 1 30 30 ILE CG2 C 13 17.464 0.300 . 1 . . . . 30 ILE CG2 . 11109 1 316 . 1 1 30 30 ILE N N 15 124.411 0.300 . 1 . . . . 30 ILE N . 11109 1 317 . 1 1 31 31 GLU H H 1 7.875 0.030 . 1 . . . . 31 GLU H . 11109 1 318 . 1 1 31 31 GLU HA H 1 4.767 0.030 . 1 . . . . 31 GLU HA . 11109 1 319 . 1 1 31 31 GLU HB2 H 1 1.883 0.030 . 2 . . . . 31 GLU HB2 . 11109 1 320 . 1 1 31 31 GLU HB3 H 1 1.296 0.030 . 2 . . . . 31 GLU HB3 . 11109 1 321 . 1 1 31 31 GLU HG2 H 1 1.758 0.030 . 2 . . . . 31 GLU HG2 . 11109 1 322 . 1 1 31 31 GLU C C 13 174.455 0.300 . 1 . . . . 31 GLU C . 11109 1 323 . 1 1 31 31 GLU CA C 13 53.427 0.300 . 1 . . . . 31 GLU CA . 11109 1 324 . 1 1 31 31 GLU CB C 13 29.066 0.300 . 1 . . . . 31 GLU CB . 11109 1 325 . 1 1 31 31 GLU N N 15 127.330 0.300 . 1 . . . . 31 GLU N . 11109 1 326 . 1 1 32 32 PHE H H 1 9.845 0.030 . 1 . . . . 32 PHE H . 11109 1 327 . 1 1 32 32 PHE HA H 1 5.851 0.030 . 1 . . . . 32 PHE HA . 11109 1 328 . 1 1 32 32 PHE HB2 H 1 3.331 0.030 . 2 . . . . 32 PHE HB2 . 11109 1 329 . 1 1 32 32 PHE HB3 H 1 3.115 0.030 . 2 . . . . 32 PHE HB3 . 11109 1 330 . 1 1 32 32 PHE HD1 H 1 7.318 0.030 . 1 . . . . 32 PHE HD1 . 11109 1 331 . 1 1 32 32 PHE HD2 H 1 7.318 0.030 . 1 . . . . 32 PHE HD2 . 11109 1 332 . 1 1 32 32 PHE HE1 H 1 7.644 0.030 . 1 . . . . 32 PHE HE1 . 11109 1 333 . 1 1 32 32 PHE HE2 H 1 7.644 0.030 . 1 . . . . 32 PHE HE2 . 11109 1 334 . 1 1 32 32 PHE HZ H 1 7.289 0.030 . 1 . . . . 32 PHE HZ . 11109 1 335 . 1 1 32 32 PHE C C 13 175.457 0.300 . 1 . . . . 32 PHE C . 11109 1 336 . 1 1 32 32 PHE CA C 13 56.275 0.300 . 1 . . . . 32 PHE CA . 11109 1 337 . 1 1 32 32 PHE CB C 13 40.246 0.300 . 1 . . . . 32 PHE CB . 11109 1 338 . 1 1 32 32 PHE CD1 C 13 131.288 0.300 . 1 . . . . 32 PHE CD1 . 11109 1 339 . 1 1 32 32 PHE CD2 C 13 131.288 0.300 . 1 . . . . 32 PHE CD2 . 11109 1 340 . 1 1 32 32 PHE CE1 C 13 131.453 0.300 . 1 . . . . 32 PHE CE1 . 11109 1 341 . 1 1 32 32 PHE CE2 C 13 131.453 0.300 . 1 . . . . 32 PHE CE2 . 11109 1 342 . 1 1 32 32 PHE CZ C 13 128.987 0.300 . 1 . . . . 32 PHE CZ . 11109 1 343 . 1 1 32 32 PHE N N 15 128.575 0.300 . 1 . . . . 32 PHE N . 11109 1 344 . 1 1 33 33 TYR H H 1 8.652 0.030 . 1 . . . . 33 TYR H . 11109 1 345 . 1 1 33 33 TYR HA H 1 5.399 0.030 . 1 . . . . 33 TYR HA . 11109 1 346 . 1 1 33 33 TYR HB2 H 1 2.834 0.030 . 2 . . . . 33 TYR HB2 . 11109 1 347 . 1 1 33 33 TYR HB3 H 1 2.629 0.030 . 2 . . . . 33 TYR HB3 . 11109 1 348 . 1 1 33 33 TYR HD1 H 1 6.551 0.030 . 1 . . . . 33 TYR HD1 . 11109 1 349 . 1 1 33 33 TYR HD2 H 1 6.551 0.030 . 1 . . . . 33 TYR HD2 . 11109 1 350 . 1 1 33 33 TYR HE1 H 1 6.429 0.030 . 1 . . . . 33 TYR HE1 . 11109 1 351 . 1 1 33 33 TYR HE2 H 1 6.429 0.030 . 1 . . . . 33 TYR HE2 . 11109 1 352 . 1 1 33 33 TYR C C 13 170.666 0.300 . 1 . . . . 33 TYR C . 11109 1 353 . 1 1 33 33 TYR CA C 13 54.867 0.300 . 1 . . . . 33 TYR CA . 11109 1 354 . 1 1 33 33 TYR CB C 13 42.914 0.300 . 1 . . . . 33 TYR CB . 11109 1 355 . 1 1 33 33 TYR CD1 C 13 133.081 0.300 . 1 . . . . 33 TYR CD1 . 11109 1 356 . 1 1 33 33 TYR CD2 C 13 133.081 0.300 . 1 . . . . 33 TYR CD2 . 11109 1 357 . 1 1 33 33 TYR CE1 C 13 117.360 0.300 . 1 . . . . 33 TYR CE1 . 11109 1 358 . 1 1 33 33 TYR CE2 C 13 117.360 0.300 . 1 . . . . 33 TYR CE2 . 11109 1 359 . 1 1 33 33 TYR N N 15 120.337 0.300 . 1 . . . . 33 TYR N . 11109 1 360 . 1 1 34 34 ALA H H 1 7.150 0.030 . 1 . . . . 34 ALA H . 11109 1 361 . 1 1 34 34 ALA HA H 1 4.295 0.030 . 1 . . . . 34 ALA HA . 11109 1 362 . 1 1 34 34 ALA HB1 H 1 -0.797 0.030 . 1 . . . . 34 ALA HB . 11109 1 363 . 1 1 34 34 ALA HB2 H 1 -0.797 0.030 . 1 . . . . 34 ALA HB . 11109 1 364 . 1 1 34 34 ALA HB3 H 1 -0.797 0.030 . 1 . . . . 34 ALA HB . 11109 1 365 . 1 1 34 34 ALA C C 13 176.940 0.300 . 1 . . . . 34 ALA C . 11109 1 366 . 1 1 34 34 ALA CA C 13 47.563 0.300 . 1 . . . . 34 ALA CA . 11109 1 367 . 1 1 34 34 ALA CB C 13 19.375 0.300 . 1 . . . . 34 ALA CB . 11109 1 368 . 1 1 34 34 ALA N N 15 120.272 0.300 . 1 . . . . 34 ALA N . 11109 1 369 . 1 1 35 35 PRO HA H 1 4.304 0.030 . 1 . . . . 35 PRO HA . 11109 1 370 . 1 1 35 35 PRO HB2 H 1 2.369 0.030 . 2 . . . . 35 PRO HB2 . 11109 1 371 . 1 1 35 35 PRO HB3 H 1 2.059 0.030 . 2 . . . . 35 PRO HB3 . 11109 1 372 . 1 1 35 35 PRO HD2 H 1 3.449 0.030 . 2 . . . . 35 PRO HD2 . 11109 1 373 . 1 1 35 35 PRO HD3 H 1 3.201 0.030 . 2 . . . . 35 PRO HD3 . 11109 1 374 . 1 1 35 35 PRO HG2 H 1 2.081 0.030 . 1 . . . . 35 PRO HG2 . 11109 1 375 . 1 1 35 35 PRO HG3 H 1 2.081 0.030 . 1 . . . . 35 PRO HG3 . 11109 1 376 . 1 1 35 35 PRO C C 13 175.662 0.300 . 1 . . . . 35 PRO C . 11109 1 377 . 1 1 35 35 PRO CA C 13 64.446 0.300 . 1 . . . . 35 PRO CA . 11109 1 378 . 1 1 35 35 PRO CB C 13 32.014 0.300 . 1 . . . . 35 PRO CB . 11109 1 379 . 1 1 35 35 PRO CD C 13 51.189 0.300 . 1 . . . . 35 PRO CD . 11109 1 380 . 1 1 35 35 PRO CG C 13 27.563 0.300 . 1 . . . . 35 PRO CG . 11109 1 381 . 1 1 36 36 TRP H H 1 5.952 0.030 . 1 . . . . 36 TRP H . 11109 1 382 . 1 1 36 36 TRP HA H 1 4.609 0.030 . 1 . . . . 36 TRP HA . 11109 1 383 . 1 1 36 36 TRP HB2 H 1 3.596 0.030 . 2 . . . . 36 TRP HB2 . 11109 1 384 . 1 1 36 36 TRP HB3 H 1 3.219 0.030 . 2 . . . . 36 TRP HB3 . 11109 1 385 . 1 1 36 36 TRP HD1 H 1 7.340 0.030 . 1 . . . . 36 TRP HD1 . 11109 1 386 . 1 1 36 36 TRP HE1 H 1 10.357 0.030 . 1 . . . . 36 TRP HE1 . 11109 1 387 . 1 1 36 36 TRP HE3 H 1 7.392 0.030 . 1 . . . . 36 TRP HE3 . 11109 1 388 . 1 1 36 36 TRP HH2 H 1 7.426 0.030 . 1 . . . . 36 TRP HH2 . 11109 1 389 . 1 1 36 36 TRP HZ2 H 1 7.516 0.030 . 1 . . . . 36 TRP HZ2 . 11109 1 390 . 1 1 36 36 TRP HZ3 H 1 7.294 0.030 . 1 . . . . 36 TRP HZ3 . 11109 1 391 . 1 1 36 36 TRP C C 13 175.983 0.300 . 1 . . . . 36 TRP C . 11109 1 392 . 1 1 36 36 TRP CA C 13 53.970 0.300 . 1 . . . . 36 TRP CA . 11109 1 393 . 1 1 36 36 TRP CB C 13 29.262 0.300 . 1 . . . . 36 TRP CB . 11109 1 394 . 1 1 36 36 TRP CD1 C 13 128.403 0.300 . 1 . . . . 36 TRP CD1 . 11109 1 395 . 1 1 36 36 TRP CE3 C 13 120.841 0.300 . 1 . . . . 36 TRP CE3 . 11109 1 396 . 1 1 36 36 TRP CH2 C 13 125.763 0.300 . 1 . . . . 36 TRP CH2 . 11109 1 397 . 1 1 36 36 TRP CZ2 C 13 115.091 0.300 . 1 . . . . 36 TRP CZ2 . 11109 1 398 . 1 1 36 36 TRP CZ3 C 13 122.411 0.300 . 1 . . . . 36 TRP CZ3 . 11109 1 399 . 1 1 36 36 TRP N N 15 110.113 0.300 . 1 . . . . 36 TRP N . 11109 1 400 . 1 1 36 36 TRP NE1 N 15 130.923 0.300 . 1 . . . . 36 TRP NE1 . 11109 1 401 . 1 1 37 37 CYS H H 1 6.620 0.030 . 1 . . . . 37 CYS H . 11109 1 402 . 1 1 37 37 CYS HA H 1 4.418 0.030 . 1 . . . . 37 CYS HA . 11109 1 403 . 1 1 37 37 CYS HB2 H 1 2.660 0.030 . 2 . . . . 37 CYS HB2 . 11109 1 404 . 1 1 37 37 CYS HB3 H 1 2.286 0.030 . 2 . . . . 37 CYS HB3 . 11109 1 405 . 1 1 37 37 CYS C C 13 177.964 0.300 . 1 . . . . 37 CYS C . 11109 1 406 . 1 1 37 37 CYS CA C 13 59.961 0.300 . 1 . . . . 37 CYS CA . 11109 1 407 . 1 1 37 37 CYS CB C 13 30.052 0.300 . 1 . . . . 37 CYS CB . 11109 1 408 . 1 1 37 37 CYS N N 15 126.384 0.300 . 1 . . . . 37 CYS N . 11109 1 409 . 1 1 38 38 GLY H H 1 9.091 0.030 . 1 . . . . 38 GLY H . 11109 1 410 . 1 1 38 38 GLY HA2 H 1 4.035 0.030 . 2 . . . . 38 GLY HA2 . 11109 1 411 . 1 1 38 38 GLY HA3 H 1 3.859 0.030 . 2 . . . . 38 GLY HA3 . 11109 1 412 . 1 1 38 38 GLY C C 13 177.171 0.300 . 1 . . . . 38 GLY C . 11109 1 413 . 1 1 38 38 GLY CA C 13 47.669 0.300 . 1 . . . . 38 GLY CA . 11109 1 414 . 1 1 38 38 GLY N N 15 119.154 0.300 . 1 . . . . 38 GLY N . 11109 1 415 . 1 1 39 39 HIS H H 1 9.473 0.030 . 1 . . . . 39 HIS H . 11109 1 416 . 1 1 39 39 HIS HA H 1 4.634 0.030 . 1 . . . . 39 HIS HA . 11109 1 417 . 1 1 39 39 HIS HB2 H 1 3.468 0.030 . 2 . . . . 39 HIS HB2 . 11109 1 418 . 1 1 39 39 HIS HB3 H 1 2.999 0.030 . 2 . . . . 39 HIS HB3 . 11109 1 419 . 1 1 39 39 HIS HD2 H 1 7.313 0.030 . 1 . . . . 39 HIS HD2 . 11109 1 420 . 1 1 39 39 HIS C C 13 180.457 0.300 . 1 . . . . 39 HIS C . 11109 1 421 . 1 1 39 39 HIS CA C 13 59.198 0.300 . 1 . . . . 39 HIS CA . 11109 1 422 . 1 1 39 39 HIS CB C 13 30.871 0.300 . 1 . . . . 39 HIS CB . 11109 1 423 . 1 1 39 39 HIS CD2 C 13 120.123 0.300 . 1 . . . . 39 HIS CD2 . 11109 1 424 . 1 1 39 39 HIS N N 15 127.266 0.300 . 1 . . . . 39 HIS N . 11109 1 425 . 1 1 40 40 CYS H H 1 9.733 0.030 . 1 . . . . 40 CYS H . 11109 1 426 . 1 1 40 40 CYS HA H 1 3.954 0.030 . 1 . . . . 40 CYS HA . 11109 1 427 . 1 1 40 40 CYS HB2 H 1 3.561 0.030 . 2 . . . . 40 CYS HB2 . 11109 1 428 . 1 1 40 40 CYS HB3 H 1 2.707 0.030 . 2 . . . . 40 CYS HB3 . 11109 1 429 . 1 1 40 40 CYS C C 13 178.271 0.300 . 1 . . . . 40 CYS C . 11109 1 430 . 1 1 40 40 CYS CA C 13 64.409 0.300 . 1 . . . . 40 CYS CA . 11109 1 431 . 1 1 40 40 CYS CB C 13 28.939 0.300 . 1 . . . . 40 CYS CB . 11109 1 432 . 1 1 40 40 CYS N N 15 128.088 0.300 . 1 . . . . 40 CYS N . 11109 1 433 . 1 1 41 41 LYS H H 1 8.672 0.030 . 1 . . . . 41 LYS H . 11109 1 434 . 1 1 41 41 LYS HA H 1 4.028 0.030 . 1 . . . . 41 LYS HA . 11109 1 435 . 1 1 41 41 LYS HB2 H 1 1.911 0.030 . 1 . . . . 41 LYS HB2 . 11109 1 436 . 1 1 41 41 LYS HB3 H 1 1.911 0.030 . 1 . . . . 41 LYS HB3 . 11109 1 437 . 1 1 41 41 LYS HD2 H 1 1.659 0.030 . 1 . . . . 41 LYS HD2 . 11109 1 438 . 1 1 41 41 LYS HD3 H 1 1.659 0.030 . 1 . . . . 41 LYS HD3 . 11109 1 439 . 1 1 41 41 LYS HE2 H 1 2.965 0.030 . 1 . . . . 41 LYS HE2 . 11109 1 440 . 1 1 41 41 LYS HE3 H 1 2.965 0.030 . 1 . . . . 41 LYS HE3 . 11109 1 441 . 1 1 41 41 LYS HG2 H 1 1.552 0.030 . 2 . . . . 41 LYS HG2 . 11109 1 442 . 1 1 41 41 LYS HG3 H 1 1.441 0.030 . 2 . . . . 41 LYS HG3 . 11109 1 443 . 1 1 41 41 LYS C C 13 179.429 0.300 . 1 . . . . 41 LYS C . 11109 1 444 . 1 1 41 41 LYS CA C 13 59.818 0.300 . 1 . . . . 41 LYS CA . 11109 1 445 . 1 1 41 41 LYS CB C 13 32.214 0.300 . 1 . . . . 41 LYS CB . 11109 1 446 . 1 1 41 41 LYS CD C 13 29.123 0.300 . 1 . . . . 41 LYS CD . 11109 1 447 . 1 1 41 41 LYS CE C 13 42.082 0.300 . 1 . . . . 41 LYS CE . 11109 1 448 . 1 1 41 41 LYS CG C 13 25.010 0.300 . 1 . . . . 41 LYS CG . 11109 1 449 . 1 1 41 41 LYS N N 15 123.492 0.300 . 1 . . . . 41 LYS N . 11109 1 450 . 1 1 42 42 GLN H H 1 7.762 0.030 . 1 . . . . 42 GLN H . 11109 1 451 . 1 1 42 42 GLN HA H 1 4.073 0.030 . 1 . . . . 42 GLN HA . 11109 1 452 . 1 1 42 42 GLN HB2 H 1 2.242 0.030 . 1 . . . . 42 GLN HB2 . 11109 1 453 . 1 1 42 42 GLN HB3 H 1 2.242 0.030 . 1 . . . . 42 GLN HB3 . 11109 1 454 . 1 1 42 42 GLN HE21 H 1 7.453 0.030 . 2 . . . . 42 GLN HE21 . 11109 1 455 . 1 1 42 42 GLN HE22 H 1 6.884 0.030 . 2 . . . . 42 GLN HE22 . 11109 1 456 . 1 1 42 42 GLN HG2 H 1 2.606 0.030 . 2 . . . . 42 GLN HG2 . 11109 1 457 . 1 1 42 42 GLN HG3 H 1 2.467 0.030 . 2 . . . . 42 GLN HG3 . 11109 1 458 . 1 1 42 42 GLN C C 13 177.229 0.300 . 1 . . . . 42 GLN C . 11109 1 459 . 1 1 42 42 GLN CA C 13 58.595 0.300 . 1 . . . . 42 GLN CA . 11109 1 460 . 1 1 42 42 GLN CB C 13 28.789 0.300 . 1 . . . . 42 GLN CB . 11109 1 461 . 1 1 42 42 GLN CG C 13 34.160 0.300 . 1 . . . . 42 GLN CG . 11109 1 462 . 1 1 42 42 GLN N N 15 118.446 0.300 . 1 . . . . 42 GLN N . 11109 1 463 . 1 1 42 42 GLN NE2 N 15 111.808 0.300 . 1 . . . . 42 GLN NE2 . 11109 1 464 . 1 1 43 43 LEU H H 1 7.366 0.030 . 1 . . . . 43 LEU H . 11109 1 465 . 1 1 43 43 LEU HA H 1 4.404 0.030 . 1 . . . . 43 LEU HA . 11109 1 466 . 1 1 43 43 LEU HB2 H 1 1.804 0.030 . 2 . . . . 43 LEU HB2 . 11109 1 467 . 1 1 43 43 LEU HB3 H 1 1.633 0.030 . 2 . . . . 43 LEU HB3 . 11109 1 468 . 1 1 43 43 LEU HD11 H 1 0.999 0.030 . 1 . . . . 43 LEU HD1 . 11109 1 469 . 1 1 43 43 LEU HD12 H 1 0.999 0.030 . 1 . . . . 43 LEU HD1 . 11109 1 470 . 1 1 43 43 LEU HD13 H 1 0.999 0.030 . 1 . . . . 43 LEU HD1 . 11109 1 471 . 1 1 43 43 LEU HD21 H 1 0.718 0.030 . 1 . . . . 43 LEU HD2 . 11109 1 472 . 1 1 43 43 LEU HD22 H 1 0.718 0.030 . 1 . . . . 43 LEU HD2 . 11109 1 473 . 1 1 43 43 LEU HD23 H 1 0.718 0.030 . 1 . . . . 43 LEU HD2 . 11109 1 474 . 1 1 43 43 LEU HG H 1 1.620 0.030 . 1 . . . . 43 LEU HG . 11109 1 475 . 1 1 43 43 LEU C C 13 177.203 0.300 . 1 . . . . 43 LEU C . 11109 1 476 . 1 1 43 43 LEU CA C 13 55.293 0.300 . 1 . . . . 43 LEU CA . 11109 1 477 . 1 1 43 43 LEU CB C 13 42.342 0.300 . 1 . . . . 43 LEU CB . 11109 1 478 . 1 1 43 43 LEU CD1 C 13 23.768 0.300 . 2 . . . . 43 LEU CD1 . 11109 1 479 . 1 1 43 43 LEU CD2 C 13 27.194 0.300 . 2 . . . . 43 LEU CD2 . 11109 1 480 . 1 1 43 43 LEU CG C 13 27.364 0.300 . 1 . . . . 43 LEU CG . 11109 1 481 . 1 1 43 43 LEU N N 15 116.281 0.300 . 1 . . . . 43 LEU N . 11109 1 482 . 1 1 44 44 GLU H H 1 7.418 0.030 . 1 . . . . 44 GLU H . 11109 1 483 . 1 1 44 44 GLU HA H 1 4.157 0.030 . 1 . . . . 44 GLU HA . 11109 1 484 . 1 1 44 44 GLU HB2 H 1 2.220 0.030 . 2 . . . . 44 GLU HB2 . 11109 1 485 . 1 1 44 44 GLU HB3 H 1 2.019 0.030 . 2 . . . . 44 GLU HB3 . 11109 1 486 . 1 1 44 44 GLU HG2 H 1 2.222 0.030 . 2 . . . . 44 GLU HG2 . 11109 1 487 . 1 1 44 44 GLU HG3 H 1 2.064 0.030 . 2 . . . . 44 GLU HG3 . 11109 1 488 . 1 1 44 44 GLU C C 13 174.699 0.300 . 1 . . . . 44 GLU C . 11109 1 489 . 1 1 44 44 GLU CA C 13 61.938 0.300 . 1 . . . . 44 GLU CA . 11109 1 490 . 1 1 44 44 GLU CB C 13 27.028 0.300 . 1 . . . . 44 GLU CB . 11109 1 491 . 1 1 44 44 GLU CG C 13 36.104 0.300 . 1 . . . . 44 GLU CG . 11109 1 492 . 1 1 44 44 GLU N N 15 119.907 0.300 . 1 . . . . 44 GLU N . 11109 1 493 . 1 1 45 45 PRO HA H 1 4.442 0.030 . 1 . . . . 45 PRO HA . 11109 1 494 . 1 1 45 45 PRO HB2 H 1 2.323 0.030 . 2 . . . . 45 PRO HB2 . 11109 1 495 . 1 1 45 45 PRO HB3 H 1 1.977 0.030 . 2 . . . . 45 PRO HB3 . 11109 1 496 . 1 1 45 45 PRO HD2 H 1 4.070 0.030 . 2 . . . . 45 PRO HD2 . 11109 1 497 . 1 1 45 45 PRO HD3 H 1 3.670 0.030 . 2 . . . . 45 PRO HD3 . 11109 1 498 . 1 1 45 45 PRO HG2 H 1 2.144 0.030 . 2 . . . . 45 PRO HG2 . 11109 1 499 . 1 1 45 45 PRO HG3 H 1 2.095 0.030 . 2 . . . . 45 PRO HG3 . 11109 1 500 . 1 1 45 45 PRO C C 13 180.164 0.300 . 1 . . . . 45 PRO C . 11109 1 501 . 1 1 45 45 PRO CA C 13 65.827 0.300 . 1 . . . . 45 PRO CA . 11109 1 502 . 1 1 45 45 PRO CB C 13 30.714 0.300 . 1 . . . . 45 PRO CB . 11109 1 503 . 1 1 45 45 PRO CD C 13 49.589 0.300 . 1 . . . . 45 PRO CD . 11109 1 504 . 1 1 45 45 PRO CG C 13 28.507 0.300 . 1 . . . . 45 PRO CG . 11109 1 505 . 1 1 46 46 ILE H H 1 6.937 0.030 . 1 . . . . 46 ILE H . 11109 1 506 . 1 1 46 46 ILE HA H 1 3.802 0.030 . 1 . . . . 46 ILE HA . 11109 1 507 . 1 1 46 46 ILE HB H 1 2.240 0.030 . 1 . . . . 46 ILE HB . 11109 1 508 . 1 1 46 46 ILE HD11 H 1 1.101 0.030 . 1 . . . . 46 ILE HD1 . 11109 1 509 . 1 1 46 46 ILE HD12 H 1 1.101 0.030 . 1 . . . . 46 ILE HD1 . 11109 1 510 . 1 1 46 46 ILE HD13 H 1 1.101 0.030 . 1 . . . . 46 ILE HD1 . 11109 1 511 . 1 1 46 46 ILE HG12 H 1 1.760 0.030 . 2 . . . . 46 ILE HG12 . 11109 1 512 . 1 1 46 46 ILE HG13 H 1 1.365 0.030 . 2 . . . . 46 ILE HG13 . 11109 1 513 . 1 1 46 46 ILE HG21 H 1 0.878 0.030 . 1 . . . . 46 ILE HG2 . 11109 1 514 . 1 1 46 46 ILE HG22 H 1 0.878 0.030 . 1 . . . . 46 ILE HG2 . 11109 1 515 . 1 1 46 46 ILE HG23 H 1 0.878 0.030 . 1 . . . . 46 ILE HG2 . 11109 1 516 . 1 1 46 46 ILE C C 13 177.378 0.300 . 1 . . . . 46 ILE C . 11109 1 517 . 1 1 46 46 ILE CA C 13 64.013 0.300 . 1 . . . . 46 ILE CA . 11109 1 518 . 1 1 46 46 ILE CB C 13 38.291 0.300 . 1 . . . . 46 ILE CB . 11109 1 519 . 1 1 46 46 ILE CD1 C 13 13.696 0.300 . 1 . . . . 46 ILE CD1 . 11109 1 520 . 1 1 46 46 ILE CG1 C 13 29.357 0.300 . 1 . . . . 46 ILE CG1 . 11109 1 521 . 1 1 46 46 ILE CG2 C 13 17.356 0.300 . 1 . . . . 46 ILE CG2 . 11109 1 522 . 1 1 46 46 ILE N N 15 121.426 0.300 . 1 . . . . 46 ILE N . 11109 1 523 . 1 1 47 47 TYR H H 1 9.073 0.030 . 1 . . . . 47 TYR H . 11109 1 524 . 1 1 47 47 TYR HA H 1 3.817 0.030 . 1 . . . . 47 TYR HA . 11109 1 525 . 1 1 47 47 TYR HB2 H 1 3.109 0.030 . 2 . . . . 47 TYR HB2 . 11109 1 526 . 1 1 47 47 TYR HB3 H 1 2.641 0.030 . 2 . . . . 47 TYR HB3 . 11109 1 527 . 1 1 47 47 TYR HD1 H 1 6.716 0.030 . 1 . . . . 47 TYR HD1 . 11109 1 528 . 1 1 47 47 TYR HD2 H 1 6.716 0.030 . 1 . . . . 47 TYR HD2 . 11109 1 529 . 1 1 47 47 TYR HE1 H 1 6.279 0.030 . 1 . . . . 47 TYR HE1 . 11109 1 530 . 1 1 47 47 TYR HE2 H 1 6.279 0.030 . 1 . . . . 47 TYR HE2 . 11109 1 531 . 1 1 47 47 TYR C C 13 177.969 0.300 . 1 . . . . 47 TYR C . 11109 1 532 . 1 1 47 47 TYR CA C 13 62.867 0.300 . 1 . . . . 47 TYR CA . 11109 1 533 . 1 1 47 47 TYR CB C 13 38.840 0.300 . 1 . . . . 47 TYR CB . 11109 1 534 . 1 1 47 47 TYR CD1 C 13 131.806 0.300 . 1 . . . . 47 TYR CD1 . 11109 1 535 . 1 1 47 47 TYR CD2 C 13 131.806 0.300 . 1 . . . . 47 TYR CD2 . 11109 1 536 . 1 1 47 47 TYR CE1 C 13 117.858 0.300 . 1 . . . . 47 TYR CE1 . 11109 1 537 . 1 1 47 47 TYR CE2 C 13 117.858 0.300 . 1 . . . . 47 TYR CE2 . 11109 1 538 . 1 1 47 47 TYR N N 15 125.453 0.300 . 1 . . . . 47 TYR N . 11109 1 539 . 1 1 48 48 THR H H 1 8.442 0.030 . 1 . . . . 48 THR H . 11109 1 540 . 1 1 48 48 THR HA H 1 3.838 0.030 . 1 . . . . 48 THR HA . 11109 1 541 . 1 1 48 48 THR HB H 1 4.244 0.030 . 1 . . . . 48 THR HB . 11109 1 542 . 1 1 48 48 THR HG21 H 1 1.225 0.030 . 1 . . . . 48 THR HG2 . 11109 1 543 . 1 1 48 48 THR HG22 H 1 1.225 0.030 . 1 . . . . 48 THR HG2 . 11109 1 544 . 1 1 48 48 THR HG23 H 1 1.225 0.030 . 1 . . . . 48 THR HG2 . 11109 1 545 . 1 1 48 48 THR C C 13 176.504 0.300 . 1 . . . . 48 THR C . 11109 1 546 . 1 1 48 48 THR CA C 13 67.037 0.300 . 1 . . . . 48 THR CA . 11109 1 547 . 1 1 48 48 THR CB C 13 68.441 0.300 . 1 . . . . 48 THR CB . 11109 1 548 . 1 1 48 48 THR CG2 C 13 22.335 0.300 . 1 . . . . 48 THR CG2 . 11109 1 549 . 1 1 48 48 THR N N 15 114.866 0.300 . 1 . . . . 48 THR N . 11109 1 550 . 1 1 49 49 SER H H 1 7.869 0.030 . 1 . . . . 49 SER H . 11109 1 551 . 1 1 49 49 SER HA H 1 4.127 0.030 . 1 . . . . 49 SER HA . 11109 1 552 . 1 1 49 49 SER HB2 H 1 3.955 0.030 . 2 . . . . 49 SER HB2 . 11109 1 553 . 1 1 49 49 SER HB3 H 1 4.218 0.030 . 2 . . . . 49 SER HB3 . 11109 1 554 . 1 1 49 49 SER C C 13 176.637 0.300 . 1 . . . . 49 SER C . 11109 1 555 . 1 1 49 49 SER CA C 13 62.593 0.300 . 1 . . . . 49 SER CA . 11109 1 556 . 1 1 49 49 SER CB C 13 62.602 0.300 . 1 . . . . 49 SER CB . 11109 1 557 . 1 1 49 49 SER N N 15 118.773 0.300 . 1 . . . . 49 SER N . 11109 1 558 . 1 1 50 50 LEU H H 1 8.533 0.030 . 1 . . . . 50 LEU H . 11109 1 559 . 1 1 50 50 LEU HA H 1 3.944 0.030 . 1 . . . . 50 LEU HA . 11109 1 560 . 1 1 50 50 LEU HB2 H 1 2.000 0.030 . 2 . . . . 50 LEU HB2 . 11109 1 561 . 1 1 50 50 LEU HB3 H 1 1.405 0.030 . 2 . . . . 50 LEU HB3 . 11109 1 562 . 1 1 50 50 LEU HD11 H 1 0.912 0.030 . 1 . . . . 50 LEU HD1 . 11109 1 563 . 1 1 50 50 LEU HD12 H 1 0.912 0.030 . 1 . . . . 50 LEU HD1 . 11109 1 564 . 1 1 50 50 LEU HD13 H 1 0.912 0.030 . 1 . . . . 50 LEU HD1 . 11109 1 565 . 1 1 50 50 LEU HD21 H 1 0.630 0.030 . 1 . . . . 50 LEU HD2 . 11109 1 566 . 1 1 50 50 LEU HD22 H 1 0.630 0.030 . 1 . . . . 50 LEU HD2 . 11109 1 567 . 1 1 50 50 LEU HD23 H 1 0.630 0.030 . 1 . . . . 50 LEU HD2 . 11109 1 568 . 1 1 50 50 LEU HG H 1 1.464 0.030 . 1 . . . . 50 LEU HG . 11109 1 569 . 1 1 50 50 LEU C C 13 178.231 0.300 . 1 . . . . 50 LEU C . 11109 1 570 . 1 1 50 50 LEU CA C 13 58.126 0.300 . 1 . . . . 50 LEU CA . 11109 1 571 . 1 1 50 50 LEU CB C 13 42.376 0.300 . 1 . . . . 50 LEU CB . 11109 1 572 . 1 1 50 50 LEU CD1 C 13 26.005 0.300 . 2 . . . . 50 LEU CD1 . 11109 1 573 . 1 1 50 50 LEU CD2 C 13 27.441 0.300 . 2 . . . . 50 LEU CD2 . 11109 1 574 . 1 1 50 50 LEU CG C 13 26.110 0.300 . 1 . . . . 50 LEU CG . 11109 1 575 . 1 1 50 50 LEU N N 15 127.011 0.300 . 1 . . . . 50 LEU N . 11109 1 576 . 1 1 51 51 GLY H H 1 8.117 0.030 . 1 . . . . 51 GLY H . 11109 1 577 . 1 1 51 51 GLY HA2 H 1 3.687 0.030 . 2 . . . . 51 GLY HA2 . 11109 1 578 . 1 1 51 51 GLY HA3 H 1 3.411 0.030 . 2 . . . . 51 GLY HA3 . 11109 1 579 . 1 1 51 51 GLY C C 13 176.175 0.300 . 1 . . . . 51 GLY C . 11109 1 580 . 1 1 51 51 GLY CA C 13 47.231 0.300 . 1 . . . . 51 GLY CA . 11109 1 581 . 1 1 51 51 GLY N N 15 105.182 0.300 . 1 . . . . 51 GLY N . 11109 1 582 . 1 1 52 52 LYS H H 1 7.985 0.030 . 1 . . . . 52 LYS H . 11109 1 583 . 1 1 52 52 LYS HA H 1 3.949 0.030 . 1 . . . . 52 LYS HA . 11109 1 584 . 1 1 52 52 LYS HB2 H 1 1.954 0.030 . 2 . . . . 52 LYS HB2 . 11109 1 585 . 1 1 52 52 LYS HB3 H 1 1.892 0.030 . 2 . . . . 52 LYS HB3 . 11109 1 586 . 1 1 52 52 LYS HD2 H 1 1.686 0.030 . 1 . . . . 52 LYS HD2 . 11109 1 587 . 1 1 52 52 LYS HD3 H 1 1.686 0.030 . 1 . . . . 52 LYS HD3 . 11109 1 588 . 1 1 52 52 LYS HE2 H 1 2.857 0.030 . 2 . . . . 52 LYS HE2 . 11109 1 589 . 1 1 52 52 LYS HG2 H 1 1.595 0.030 . 2 . . . . 52 LYS HG2 . 11109 1 590 . 1 1 52 52 LYS HG3 H 1 1.400 0.030 . 2 . . . . 52 LYS HG3 . 11109 1 591 . 1 1 52 52 LYS C C 13 178.895 0.300 . 1 . . . . 52 LYS C . 11109 1 592 . 1 1 52 52 LYS CA C 13 60.005 0.300 . 1 . . . . 52 LYS CA . 11109 1 593 . 1 1 52 52 LYS CB C 13 32.660 0.300 . 1 . . . . 52 LYS CB . 11109 1 594 . 1 1 52 52 LYS CD C 13 29.619 0.300 . 1 . . . . 52 LYS CD . 11109 1 595 . 1 1 52 52 LYS CE C 13 42.082 0.300 . 1 . . . . 52 LYS CE . 11109 1 596 . 1 1 52 52 LYS CG C 13 25.895 0.300 . 1 . . . . 52 LYS CG . 11109 1 597 . 1 1 52 52 LYS N N 15 120.426 0.300 . 1 . . . . 52 LYS N . 11109 1 598 . 1 1 53 53 LYS H H 1 8.335 0.030 . 1 . . . . 53 LYS H . 11109 1 599 . 1 1 53 53 LYS HA H 1 3.929 0.030 . 1 . . . . 53 LYS HA . 11109 1 600 . 1 1 53 53 LYS HB2 H 1 2.011 0.030 . 2 . . . . 53 LYS HB2 . 11109 1 601 . 1 1 53 53 LYS HB3 H 1 1.895 0.030 . 2 . . . . 53 LYS HB3 . 11109 1 602 . 1 1 53 53 LYS HD2 H 1 1.619 0.030 . 2 . . . . 53 LYS HD2 . 11109 1 603 . 1 1 53 53 LYS HD3 H 1 1.389 0.030 . 2 . . . . 53 LYS HD3 . 11109 1 604 . 1 1 53 53 LYS HE2 H 1 2.807 0.030 . 2 . . . . 53 LYS HE2 . 11109 1 605 . 1 1 53 53 LYS HE3 H 1 2.746 0.030 . 2 . . . . 53 LYS HE3 . 11109 1 606 . 1 1 53 53 LYS HG2 H 1 0.546 0.030 . 2 . . . . 53 LYS HG2 . 11109 1 607 . 1 1 53 53 LYS HG3 H 1 1.207 0.030 . 2 . . . . 53 LYS HG3 . 11109 1 608 . 1 1 53 53 LYS C C 13 178.138 0.300 . 1 . . . . 53 LYS C . 11109 1 609 . 1 1 53 53 LYS CA C 13 59.208 0.300 . 1 . . . . 53 LYS CA . 11109 1 610 . 1 1 53 53 LYS CB C 13 32.626 0.300 . 1 . . . . 53 LYS CB . 11109 1 611 . 1 1 53 53 LYS CD C 13 30.220 0.300 . 1 . . . . 53 LYS CD . 11109 1 612 . 1 1 53 53 LYS CE C 13 42.184 0.300 . 1 . . . . 53 LYS CE . 11109 1 613 . 1 1 53 53 LYS CG C 13 24.669 0.300 . 1 . . . . 53 LYS CG . 11109 1 614 . 1 1 53 53 LYS N N 15 121.690 0.300 . 1 . . . . 53 LYS N . 11109 1 615 . 1 1 54 54 TYR H H 1 7.640 0.030 . 1 . . . . 54 TYR H . 11109 1 616 . 1 1 54 54 TYR HA H 1 4.344 0.030 . 1 . . . . 54 TYR HA . 11109 1 617 . 1 1 54 54 TYR HB2 H 1 3.502 0.030 . 2 . . . . 54 TYR HB2 . 11109 1 618 . 1 1 54 54 TYR HB3 H 1 2.511 0.030 . 2 . . . . 54 TYR HB3 . 11109 1 619 . 1 1 54 54 TYR HD1 H 1 7.189 0.030 . 1 . . . . 54 TYR HD1 . 11109 1 620 . 1 1 54 54 TYR HD2 H 1 7.189 0.030 . 1 . . . . 54 TYR HD2 . 11109 1 621 . 1 1 54 54 TYR HE1 H 1 6.794 0.030 . 1 . . . . 54 TYR HE1 . 11109 1 622 . 1 1 54 54 TYR HE2 H 1 6.794 0.030 . 1 . . . . 54 TYR HE2 . 11109 1 623 . 1 1 54 54 TYR C C 13 176.351 0.300 . 1 . . . . 54 TYR C . 11109 1 624 . 1 1 54 54 TYR CA C 13 59.902 0.300 . 1 . . . . 54 TYR CA . 11109 1 625 . 1 1 54 54 TYR CB C 13 38.215 0.300 . 1 . . . . 54 TYR CB . 11109 1 626 . 1 1 54 54 TYR CD1 C 13 132.960 0.300 . 1 . . . . 54 TYR CD1 . 11109 1 627 . 1 1 54 54 TYR CD2 C 13 132.960 0.300 . 1 . . . . 54 TYR CD2 . 11109 1 628 . 1 1 54 54 TYR CE1 C 13 118.124 0.300 . 1 . . . . 54 TYR CE1 . 11109 1 629 . 1 1 54 54 TYR CE2 C 13 118.124 0.300 . 1 . . . . 54 TYR CE2 . 11109 1 630 . 1 1 54 54 TYR N N 15 114.002 0.300 . 1 . . . . 54 TYR N . 11109 1 631 . 1 1 55 55 LYS H H 1 7.307 0.030 . 1 . . . . 55 LYS H . 11109 1 632 . 1 1 55 55 LYS HA H 1 4.162 0.030 . 1 . . . . 55 LYS HA . 11109 1 633 . 1 1 55 55 LYS HB2 H 1 2.099 0.030 . 2 . . . . 55 LYS HB2 . 11109 1 634 . 1 1 55 55 LYS HB3 H 1 1.928 0.030 . 2 . . . . 55 LYS HB3 . 11109 1 635 . 1 1 55 55 LYS HD2 H 1 1.726 0.030 . 1 . . . . 55 LYS HD2 . 11109 1 636 . 1 1 55 55 LYS HD3 H 1 1.726 0.030 . 1 . . . . 55 LYS HD3 . 11109 1 637 . 1 1 55 55 LYS HE2 H 1 2.993 0.030 . 2 . . . . 55 LYS HE2 . 11109 1 638 . 1 1 55 55 LYS HG2 H 1 1.581 0.030 . 2 . . . . 55 LYS HG2 . 11109 1 639 . 1 1 55 55 LYS HG3 H 1 1.453 0.030 . 2 . . . . 55 LYS HG3 . 11109 1 640 . 1 1 55 55 LYS C C 13 176.951 0.300 . 1 . . . . 55 LYS C . 11109 1 641 . 1 1 55 55 LYS CA C 13 59.177 0.300 . 1 . . . . 55 LYS CA . 11109 1 642 . 1 1 55 55 LYS CB C 13 32.334 0.300 . 1 . . . . 55 LYS CB . 11109 1 643 . 1 1 55 55 LYS CD C 13 29.526 0.300 . 1 . . . . 55 LYS CD . 11109 1 644 . 1 1 55 55 LYS CE C 13 42.151 0.300 . 1 . . . . 55 LYS CE . 11109 1 645 . 1 1 55 55 LYS CG C 13 24.118 0.300 . 1 . . . . 55 LYS CG . 11109 1 646 . 1 1 55 55 LYS N N 15 122.841 0.300 . 1 . . . . 55 LYS N . 11109 1 647 . 1 1 56 56 GLY H H 1 8.808 0.030 . 1 . . . . 56 GLY H . 11109 1 648 . 1 1 56 56 GLY HA2 H 1 4.060 0.030 . 2 . . . . 56 GLY HA2 . 11109 1 649 . 1 1 56 56 GLY HA3 H 1 3.793 0.030 . 2 . . . . 56 GLY HA3 . 11109 1 650 . 1 1 56 56 GLY C C 13 173.945 0.300 . 1 . . . . 56 GLY C . 11109 1 651 . 1 1 56 56 GLY CA C 13 45.132 0.300 . 1 . . . . 56 GLY CA . 11109 1 652 . 1 1 56 56 GLY N N 15 107.445 0.300 . 1 . . . . 56 GLY N . 11109 1 653 . 1 1 57 57 GLN H H 1 7.925 0.030 . 1 . . . . 57 GLN H . 11109 1 654 . 1 1 57 57 GLN HA H 1 4.532 0.030 . 1 . . . . 57 GLN HA . 11109 1 655 . 1 1 57 57 GLN HB2 H 1 2.474 0.030 . 2 . . . . 57 GLN HB2 . 11109 1 656 . 1 1 57 57 GLN HB3 H 1 2.269 0.030 . 2 . . . . 57 GLN HB3 . 11109 1 657 . 1 1 57 57 GLN HE21 H 1 6.695 0.030 . 2 . . . . 57 GLN HE21 . 11109 1 658 . 1 1 57 57 GLN HE22 H 1 8.028 0.030 . 2 . . . . 57 GLN HE22 . 11109 1 659 . 1 1 57 57 GLN HG2 H 1 2.478 0.030 . 1 . . . . 57 GLN HG2 . 11109 1 660 . 1 1 57 57 GLN HG3 H 1 2.478 0.030 . 1 . . . . 57 GLN HG3 . 11109 1 661 . 1 1 57 57 GLN C C 13 175.728 0.300 . 1 . . . . 57 GLN C . 11109 1 662 . 1 1 57 57 GLN CA C 13 55.458 0.300 . 1 . . . . 57 GLN CA . 11109 1 663 . 1 1 57 57 GLN CB C 13 27.612 0.300 . 1 . . . . 57 GLN CB . 11109 1 664 . 1 1 57 57 GLN CG C 13 34.129 0.300 . 1 . . . . 57 GLN CG . 11109 1 665 . 1 1 57 57 GLN N N 15 122.881 0.300 . 1 . . . . 57 GLN N . 11109 1 666 . 1 1 57 57 GLN NE2 N 15 112.121 0.300 . 1 . . . . 57 GLN NE2 . 11109 1 667 . 1 1 58 58 LYS H H 1 8.206 0.030 . 1 . . . . 58 LYS H . 11109 1 668 . 1 1 58 58 LYS HA H 1 4.147 0.030 . 1 . . . . 58 LYS HA . 11109 1 669 . 1 1 58 58 LYS HB2 H 1 1.831 0.030 . 2 . . . . 58 LYS HB2 . 11109 1 670 . 1 1 58 58 LYS HD2 H 1 1.736 0.030 . 2 . . . . 58 LYS HD2 . 11109 1 671 . 1 1 58 58 LYS HE2 H 1 3.056 0.030 . 2 . . . . 58 LYS HE2 . 11109 1 672 . 1 1 58 58 LYS HG2 H 1 1.514 0.030 . 1 . . . . 58 LYS HG2 . 11109 1 673 . 1 1 58 58 LYS HG3 H 1 1.514 0.030 . 1 . . . . 58 LYS HG3 . 11109 1 674 . 1 1 58 58 LYS C C 13 176.941 0.300 . 1 . . . . 58 LYS C . 11109 1 675 . 1 1 58 58 LYS CA C 13 58.507 0.300 . 1 . . . . 58 LYS CA . 11109 1 676 . 1 1 58 58 LYS CB C 13 32.370 0.300 . 1 . . . . 58 LYS CB . 11109 1 677 . 1 1 58 58 LYS CD C 13 28.986 0.300 . 1 . . . . 58 LYS CD . 11109 1 678 . 1 1 58 58 LYS CE C 13 42.219 0.300 . 1 . . . . 58 LYS CE . 11109 1 679 . 1 1 58 58 LYS CG C 13 24.709 0.300 . 1 . . . . 58 LYS CG . 11109 1 680 . 1 1 58 58 LYS N N 15 123.794 0.300 . 1 . . . . 58 LYS N . 11109 1 681 . 1 1 59 59 ASP H H 1 8.605 0.030 . 1 . . . . 59 ASP H . 11109 1 682 . 1 1 59 59 ASP HA H 1 4.677 0.030 . 1 . . . . 59 ASP HA . 11109 1 683 . 1 1 59 59 ASP HB2 H 1 2.831 0.030 . 2 . . . . 59 ASP HB2 . 11109 1 684 . 1 1 59 59 ASP HB3 H 1 3.013 0.030 . 2 . . . . 59 ASP HB3 . 11109 1 685 . 1 1 59 59 ASP C C 13 172.523 0.300 . 1 . . . . 59 ASP C . 11109 1 686 . 1 1 59 59 ASP CA C 13 54.293 0.300 . 1 . . . . 59 ASP CA . 11109 1 687 . 1 1 59 59 ASP CB C 13 40.433 0.300 . 1 . . . . 59 ASP CB . 11109 1 688 . 1 1 59 59 ASP N N 15 117.153 0.300 . 1 . . . . 59 ASP N . 11109 1 689 . 1 1 60 60 LEU H H 1 7.482 0.030 . 1 . . . . 60 LEU H . 11109 1 690 . 1 1 60 60 LEU HA H 1 5.333 0.030 . 1 . . . . 60 LEU HA . 11109 1 691 . 1 1 60 60 LEU HB2 H 1 1.618 0.030 . 2 . . . . 60 LEU HB2 . 11109 1 692 . 1 1 60 60 LEU HB3 H 1 1.862 0.030 . 2 . . . . 60 LEU HB3 . 11109 1 693 . 1 1 60 60 LEU HD11 H 1 0.774 0.030 . 1 . . . . 60 LEU HD1 . 11109 1 694 . 1 1 60 60 LEU HD12 H 1 0.774 0.030 . 1 . . . . 60 LEU HD1 . 11109 1 695 . 1 1 60 60 LEU HD13 H 1 0.774 0.030 . 1 . . . . 60 LEU HD1 . 11109 1 696 . 1 1 60 60 LEU HD21 H 1 0.783 0.030 . 1 . . . . 60 LEU HD2 . 11109 1 697 . 1 1 60 60 LEU HD22 H 1 0.783 0.030 . 1 . . . . 60 LEU HD2 . 11109 1 698 . 1 1 60 60 LEU HD23 H 1 0.783 0.030 . 1 . . . . 60 LEU HD2 . 11109 1 699 . 1 1 60 60 LEU HG H 1 1.283 0.030 . 1 . . . . 60 LEU HG . 11109 1 700 . 1 1 60 60 LEU C C 13 175.495 0.300 . 1 . . . . 60 LEU C . 11109 1 701 . 1 1 60 60 LEU CA C 13 53.544 0.300 . 1 . . . . 60 LEU CA . 11109 1 702 . 1 1 60 60 LEU CB C 13 44.843 0.300 . 1 . . . . 60 LEU CB . 11109 1 703 . 1 1 60 60 LEU CD1 C 13 23.312 0.300 . 2 . . . . 60 LEU CD1 . 11109 1 704 . 1 1 60 60 LEU CD2 C 13 28.283 0.300 . 2 . . . . 60 LEU CD2 . 11109 1 705 . 1 1 60 60 LEU CG C 13 27.990 0.300 . 1 . . . . 60 LEU CG . 11109 1 706 . 1 1 60 60 LEU N N 15 121.040 0.300 . 1 . . . . 60 LEU N . 11109 1 707 . 1 1 61 61 VAL H H 1 8.889 0.030 . 1 . . . . 61 VAL H . 11109 1 708 . 1 1 61 61 VAL HA H 1 4.205 0.030 . 1 . . . . 61 VAL HA . 11109 1 709 . 1 1 61 61 VAL HB H 1 1.905 0.030 . 1 . . . . 61 VAL HB . 11109 1 710 . 1 1 61 61 VAL HG11 H 1 0.776 0.030 . 1 . . . . 61 VAL HG1 . 11109 1 711 . 1 1 61 61 VAL HG12 H 1 0.776 0.030 . 1 . . . . 61 VAL HG1 . 11109 1 712 . 1 1 61 61 VAL HG13 H 1 0.776 0.030 . 1 . . . . 61 VAL HG1 . 11109 1 713 . 1 1 61 61 VAL HG21 H 1 0.923 0.030 . 1 . . . . 61 VAL HG2 . 11109 1 714 . 1 1 61 61 VAL HG22 H 1 0.923 0.030 . 1 . . . . 61 VAL HG2 . 11109 1 715 . 1 1 61 61 VAL HG23 H 1 0.923 0.030 . 1 . . . . 61 VAL HG2 . 11109 1 716 . 1 1 61 61 VAL C C 13 173.242 0.300 . 1 . . . . 61 VAL C . 11109 1 717 . 1 1 61 61 VAL CA C 13 61.244 0.300 . 1 . . . . 61 VAL CA . 11109 1 718 . 1 1 61 61 VAL CB C 13 34.961 0.300 . 1 . . . . 61 VAL CB . 11109 1 719 . 1 1 61 61 VAL CG1 C 13 20.797 0.300 . 2 . . . . 61 VAL CG1 . 11109 1 720 . 1 1 61 61 VAL CG2 C 13 21.061 0.300 . 2 . . . . 61 VAL CG2 . 11109 1 721 . 1 1 61 61 VAL N N 15 128.337 0.300 . 1 . . . . 61 VAL N . 11109 1 722 . 1 1 62 62 ILE H H 1 8.889 0.030 . 1 . . . . 62 ILE H . 11109 1 723 . 1 1 62 62 ILE HA H 1 4.516 0.030 . 1 . . . . 62 ILE HA . 11109 1 724 . 1 1 62 62 ILE HB H 1 1.932 0.030 . 1 . . . . 62 ILE HB . 11109 1 725 . 1 1 62 62 ILE HD11 H 1 0.575 0.030 . 1 . . . . 62 ILE HD1 . 11109 1 726 . 1 1 62 62 ILE HD12 H 1 0.575 0.030 . 1 . . . . 62 ILE HD1 . 11109 1 727 . 1 1 62 62 ILE HD13 H 1 0.575 0.030 . 1 . . . . 62 ILE HD1 . 11109 1 728 . 1 1 62 62 ILE HG12 H 1 1.256 0.030 . 1 . . . . 62 ILE HG12 . 11109 1 729 . 1 1 62 62 ILE HG13 H 1 1.256 0.030 . 1 . . . . 62 ILE HG13 . 11109 1 730 . 1 1 62 62 ILE HG21 H 1 0.466 0.030 . 1 . . . . 62 ILE HG2 . 11109 1 731 . 1 1 62 62 ILE HG22 H 1 0.466 0.030 . 1 . . . . 62 ILE HG2 . 11109 1 732 . 1 1 62 62 ILE HG23 H 1 0.466 0.030 . 1 . . . . 62 ILE HG2 . 11109 1 733 . 1 1 62 62 ILE C C 13 174.660 0.300 . 1 . . . . 62 ILE C . 11109 1 734 . 1 1 62 62 ILE CA C 13 60.604 0.300 . 1 . . . . 62 ILE CA . 11109 1 735 . 1 1 62 62 ILE CB C 13 36.781 0.300 . 1 . . . . 62 ILE CB . 11109 1 736 . 1 1 62 62 ILE CD1 C 13 12.402 0.300 . 1 . . . . 62 ILE CD1 . 11109 1 737 . 1 1 62 62 ILE CG1 C 13 27.752 0.300 . 1 . . . . 62 ILE CG1 . 11109 1 738 . 1 1 62 62 ILE CG2 C 13 18.237 0.300 . 1 . . . . 62 ILE CG2 . 11109 1 739 . 1 1 62 62 ILE N N 15 128.588 0.300 . 1 . . . . 62 ILE N . 11109 1 740 . 1 1 63 63 ALA H H 1 9.587 0.030 . 1 . . . . 63 ALA H . 11109 1 741 . 1 1 63 63 ALA HA H 1 5.850 0.030 . 1 . . . . 63 ALA HA . 11109 1 742 . 1 1 63 63 ALA HB1 H 1 1.153 0.030 . 1 . . . . 63 ALA HB . 11109 1 743 . 1 1 63 63 ALA HB2 H 1 1.153 0.030 . 1 . . . . 63 ALA HB . 11109 1 744 . 1 1 63 63 ALA HB3 H 1 1.153 0.030 . 1 . . . . 63 ALA HB . 11109 1 745 . 1 1 63 63 ALA C C 13 176.731 0.300 . 1 . . . . 63 ALA C . 11109 1 746 . 1 1 63 63 ALA CA C 13 50.670 0.300 . 1 . . . . 63 ALA CA . 11109 1 747 . 1 1 63 63 ALA CB C 13 24.336 0.300 . 1 . . . . 63 ALA CB . 11109 1 748 . 1 1 63 63 ALA N N 15 128.992 0.300 . 1 . . . . 63 ALA N . 11109 1 749 . 1 1 64 64 LYS H H 1 9.191 0.030 . 1 . . . . 64 LYS H . 11109 1 750 . 1 1 64 64 LYS HA H 1 5.585 0.030 . 1 . . . . 64 LYS HA . 11109 1 751 . 1 1 64 64 LYS HB2 H 1 1.887 0.030 . 2 . . . . 64 LYS HB2 . 11109 1 752 . 1 1 64 64 LYS HB3 H 1 1.671 0.030 . 2 . . . . 64 LYS HB3 . 11109 1 753 . 1 1 64 64 LYS HD2 H 1 1.213 0.030 . 2 . . . . 64 LYS HD2 . 11109 1 754 . 1 1 64 64 LYS HD3 H 1 1.408 0.030 . 2 . . . . 64 LYS HD3 . 11109 1 755 . 1 1 64 64 LYS HE2 H 1 2.838 0.030 . 2 . . . . 64 LYS HE2 . 11109 1 756 . 1 1 64 64 LYS HE3 H 1 2.643 0.030 . 2 . . . . 64 LYS HE3 . 11109 1 757 . 1 1 64 64 LYS HG2 H 1 1.429 0.030 . 2 . . . . 64 LYS HG2 . 11109 1 758 . 1 1 64 64 LYS HG3 H 1 1.319 0.030 . 2 . . . . 64 LYS HG3 . 11109 1 759 . 1 1 64 64 LYS C C 13 172.416 0.300 . 1 . . . . 64 LYS C . 11109 1 760 . 1 1 64 64 LYS CA C 13 54.778 0.300 . 1 . . . . 64 LYS CA . 11109 1 761 . 1 1 64 64 LYS CB C 13 37.126 0.300 . 1 . . . . 64 LYS CB . 11109 1 762 . 1 1 64 64 LYS CD C 13 30.259 0.300 . 1 . . . . 64 LYS CD . 11109 1 763 . 1 1 64 64 LYS CE C 13 42.494 0.300 . 1 . . . . 64 LYS CE . 11109 1 764 . 1 1 64 64 LYS CG C 13 23.432 0.300 . 1 . . . . 64 LYS CG . 11109 1 765 . 1 1 64 64 LYS N N 15 120.157 0.300 . 1 . . . . 64 LYS N . 11109 1 766 . 1 1 65 65 MET H H 1 9.101 0.030 . 1 . . . . 65 MET H . 11109 1 767 . 1 1 65 65 MET HA H 1 4.783 0.030 . 1 . . . . 65 MET HA . 11109 1 768 . 1 1 65 65 MET HB2 H 1 1.985 0.030 . 2 . . . . 65 MET HB2 . 11109 1 769 . 1 1 65 65 MET HB3 H 1 1.720 0.030 . 2 . . . . 65 MET HB3 . 11109 1 770 . 1 1 65 65 MET HE1 H 1 1.869 0.030 . 1 . . . . 65 MET HE . 11109 1 771 . 1 1 65 65 MET HE2 H 1 1.869 0.030 . 1 . . . . 65 MET HE . 11109 1 772 . 1 1 65 65 MET HE3 H 1 1.869 0.030 . 1 . . . . 65 MET HE . 11109 1 773 . 1 1 65 65 MET HG2 H 1 2.765 0.030 . 2 . . . . 65 MET HG2 . 11109 1 774 . 1 1 65 65 MET C C 13 173.326 0.300 . 1 . . . . 65 MET C . 11109 1 775 . 1 1 65 65 MET CA C 13 55.394 0.300 . 1 . . . . 65 MET CA . 11109 1 776 . 1 1 65 65 MET CB C 13 39.614 0.300 . 1 . . . . 65 MET CB . 11109 1 777 . 1 1 65 65 MET CE C 13 19.344 0.300 . 1 . . . . 65 MET CE . 11109 1 778 . 1 1 65 65 MET CG C 13 32.799 0.300 . 1 . . . . 65 MET CG . 11109 1 779 . 1 1 65 65 MET N N 15 119.201 0.300 . 1 . . . . 65 MET N . 11109 1 780 . 1 1 66 66 ASP H H 1 8.964 0.030 . 1 . . . . 66 ASP H . 11109 1 781 . 1 1 66 66 ASP HA H 1 3.346 0.030 . 1 . . . . 66 ASP HA . 11109 1 782 . 1 1 66 66 ASP HB2 H 1 2.579 0.030 . 2 . . . . 66 ASP HB2 . 11109 1 783 . 1 1 66 66 ASP HB3 H 1 2.282 0.030 . 2 . . . . 66 ASP HB3 . 11109 1 784 . 1 1 66 66 ASP C C 13 176.955 0.300 . 1 . . . . 66 ASP C . 11109 1 785 . 1 1 66 66 ASP CA C 13 52.502 0.300 . 1 . . . . 66 ASP CA . 11109 1 786 . 1 1 66 66 ASP CB C 13 39.063 0.300 . 1 . . . . 66 ASP CB . 11109 1 787 . 1 1 66 66 ASP N N 15 127.056 0.300 . 1 . . . . 66 ASP N . 11109 1 788 . 1 1 67 67 ALA H H 1 8.726 0.030 . 1 . . . . 67 ALA H . 11109 1 789 . 1 1 67 67 ALA HA H 1 4.618 0.030 . 1 . . . . 67 ALA HA . 11109 1 790 . 1 1 67 67 ALA HB1 H 1 1.654 0.030 . 1 . . . . 67 ALA HB . 11109 1 791 . 1 1 67 67 ALA HB2 H 1 1.654 0.030 . 1 . . . . 67 ALA HB . 11109 1 792 . 1 1 67 67 ALA HB3 H 1 1.654 0.030 . 1 . . . . 67 ALA HB . 11109 1 793 . 1 1 67 67 ALA C C 13 176.688 0.300 . 1 . . . . 67 ALA C . 11109 1 794 . 1 1 67 67 ALA CA C 13 52.502 0.300 . 1 . . . . 67 ALA CA . 11109 1 795 . 1 1 67 67 ALA CB C 13 19.856 0.300 . 1 . . . . 67 ALA CB . 11109 1 796 . 1 1 67 67 ALA N N 15 132.277 0.300 . 1 . . . . 67 ALA N . 11109 1 797 . 1 1 68 68 THR H H 1 8.910 0.030 . 1 . . . . 68 THR H . 11109 1 798 . 1 1 68 68 THR HA H 1 4.583 0.030 . 1 . . . . 68 THR HA . 11109 1 799 . 1 1 68 68 THR HB H 1 4.473 0.030 . 1 . . . . 68 THR HB . 11109 1 800 . 1 1 68 68 THR HG21 H 1 1.118 0.030 . 1 . . . . 68 THR HG2 . 11109 1 801 . 1 1 68 68 THR HG22 H 1 1.118 0.030 . 1 . . . . 68 THR HG2 . 11109 1 802 . 1 1 68 68 THR HG23 H 1 1.118 0.030 . 1 . . . . 68 THR HG2 . 11109 1 803 . 1 1 68 68 THR C C 13 175.053 0.300 . 1 . . . . 68 THR C . 11109 1 804 . 1 1 68 68 THR CA C 13 62.603 0.300 . 1 . . . . 68 THR CA . 11109 1 805 . 1 1 68 68 THR CB C 13 69.273 0.300 . 1 . . . . 68 THR CB . 11109 1 806 . 1 1 68 68 THR CG2 C 13 23.158 0.300 . 1 . . . . 68 THR CG2 . 11109 1 807 . 1 1 68 68 THR N N 15 109.949 0.300 . 1 . . . . 68 THR N . 11109 1 808 . 1 1 69 69 ALA H H 1 6.874 0.030 . 1 . . . . 69 ALA H . 11109 1 809 . 1 1 69 69 ALA HA H 1 4.601 0.030 . 1 . . . . 69 ALA HA . 11109 1 810 . 1 1 69 69 ALA HB1 H 1 1.304 0.030 . 1 . . . . 69 ALA HB . 11109 1 811 . 1 1 69 69 ALA HB2 H 1 1.304 0.030 . 1 . . . . 69 ALA HB . 11109 1 812 . 1 1 69 69 ALA HB3 H 1 1.304 0.030 . 1 . . . . 69 ALA HB . 11109 1 813 . 1 1 69 69 ALA C C 13 176.005 0.300 . 1 . . . . 69 ALA C . 11109 1 814 . 1 1 69 69 ALA CA C 13 51.166 0.300 . 1 . . . . 69 ALA CA . 11109 1 815 . 1 1 69 69 ALA CB C 13 21.102 0.300 . 1 . . . . 69 ALA CB . 11109 1 816 . 1 1 69 69 ALA N N 15 123.587 0.300 . 1 . . . . 69 ALA N . 11109 1 817 . 1 1 70 70 ASN H H 1 7.246 0.030 . 1 . . . . 70 ASN H . 11109 1 818 . 1 1 70 70 ASN HA H 1 4.886 0.030 . 1 . . . . 70 ASN HA . 11109 1 819 . 1 1 70 70 ASN HB2 H 1 2.591 0.030 . 2 . . . . 70 ASN HB2 . 11109 1 820 . 1 1 70 70 ASN HB3 H 1 2.364 0.030 . 2 . . . . 70 ASN HB3 . 11109 1 821 . 1 1 70 70 ASN HD21 H 1 8.418 0.030 . 2 . . . . 70 ASN HD21 . 11109 1 822 . 1 1 70 70 ASN HD22 H 1 7.363 0.030 . 2 . . . . 70 ASN HD22 . 11109 1 823 . 1 1 70 70 ASN C C 13 172.685 0.300 . 1 . . . . 70 ASN C . 11109 1 824 . 1 1 70 70 ASN CA C 13 52.488 0.300 . 1 . . . . 70 ASN CA . 11109 1 825 . 1 1 70 70 ASN CB C 13 43.820 0.300 . 1 . . . . 70 ASN CB . 11109 1 826 . 1 1 70 70 ASN N N 15 115.067 0.300 . 1 . . . . 70 ASN N . 11109 1 827 . 1 1 70 70 ASN ND2 N 15 118.162 0.300 . 1 . . . . 70 ASN ND2 . 11109 1 828 . 1 1 71 71 ASP H H 1 8.548 0.030 . 1 . . . . 71 ASP H . 11109 1 829 . 1 1 71 71 ASP HA H 1 4.595 0.030 . 1 . . . . 71 ASP HA . 11109 1 830 . 1 1 71 71 ASP HB2 H 1 2.444 0.030 . 1 . . . . 71 ASP HB2 . 11109 1 831 . 1 1 71 71 ASP HB3 H 1 2.444 0.030 . 1 . . . . 71 ASP HB3 . 11109 1 832 . 1 1 71 71 ASP C C 13 175.294 0.300 . 1 . . . . 71 ASP C . 11109 1 833 . 1 1 71 71 ASP CA C 13 53.709 0.300 . 1 . . . . 71 ASP CA . 11109 1 834 . 1 1 71 71 ASP CB C 13 41.532 0.300 . 1 . . . . 71 ASP CB . 11109 1 835 . 1 1 71 71 ASP N N 15 120.270 0.300 . 1 . . . . 71 ASP N . 11109 1 836 . 1 1 72 72 ILE H H 1 8.286 0.030 . 1 . . . . 72 ILE H . 11109 1 837 . 1 1 72 72 ILE HA H 1 3.738 0.030 . 1 . . . . 72 ILE HA . 11109 1 838 . 1 1 72 72 ILE HB H 1 1.533 0.030 . 1 . . . . 72 ILE HB . 11109 1 839 . 1 1 72 72 ILE HD11 H 1 0.329 0.030 . 1 . . . . 72 ILE HD1 . 11109 1 840 . 1 1 72 72 ILE HD12 H 1 0.329 0.030 . 1 . . . . 72 ILE HD1 . 11109 1 841 . 1 1 72 72 ILE HD13 H 1 0.329 0.030 . 1 . . . . 72 ILE HD1 . 11109 1 842 . 1 1 72 72 ILE HG12 H 1 1.195 0.030 . 2 . . . . 72 ILE HG12 . 11109 1 843 . 1 1 72 72 ILE HG13 H 1 0.618 0.030 . 2 . . . . 72 ILE HG13 . 11109 1 844 . 1 1 72 72 ILE HG21 H 1 0.505 0.030 . 1 . . . . 72 ILE HG2 . 11109 1 845 . 1 1 72 72 ILE HG22 H 1 0.505 0.030 . 1 . . . . 72 ILE HG2 . 11109 1 846 . 1 1 72 72 ILE HG23 H 1 0.505 0.030 . 1 . . . . 72 ILE HG2 . 11109 1 847 . 1 1 72 72 ILE C C 13 176.630 0.300 . 1 . . . . 72 ILE C . 11109 1 848 . 1 1 72 72 ILE CA C 13 60.853 0.300 . 1 . . . . 72 ILE CA . 11109 1 849 . 1 1 72 72 ILE CB C 13 38.703 0.300 . 1 . . . . 72 ILE CB . 11109 1 850 . 1 1 72 72 ILE CD1 C 13 13.726 0.300 . 1 . . . . 72 ILE CD1 . 11109 1 851 . 1 1 72 72 ILE CG1 C 13 27.693 0.300 . 1 . . . . 72 ILE CG1 . 11109 1 852 . 1 1 72 72 ILE CG2 C 13 18.087 0.300 . 1 . . . . 72 ILE CG2 . 11109 1 853 . 1 1 72 72 ILE N N 15 121.772 0.300 . 1 . . . . 72 ILE N . 11109 1 854 . 1 1 73 73 THR H H 1 7.690 0.030 . 1 . . . . 73 THR H . 11109 1 855 . 1 1 73 73 THR HA H 1 4.182 0.030 . 1 . . . . 73 THR HA . 11109 1 856 . 1 1 73 73 THR HB H 1 4.273 0.030 . 1 . . . . 73 THR HB . 11109 1 857 . 1 1 73 73 THR HG21 H 1 1.052 0.030 . 1 . . . . 73 THR HG2 . 11109 1 858 . 1 1 73 73 THR HG22 H 1 1.052 0.030 . 1 . . . . 73 THR HG2 . 11109 1 859 . 1 1 73 73 THR HG23 H 1 1.052 0.030 . 1 . . . . 73 THR HG2 . 11109 1 860 . 1 1 73 73 THR C C 13 173.911 0.300 . 1 . . . . 73 THR C . 11109 1 861 . 1 1 73 73 THR CA C 13 61.840 0.300 . 1 . . . . 73 THR CA . 11109 1 862 . 1 1 73 73 THR CB C 13 68.694 0.300 . 1 . . . . 73 THR CB . 11109 1 863 . 1 1 73 73 THR CG2 C 13 21.713 0.300 . 1 . . . . 73 THR CG2 . 11109 1 864 . 1 1 73 73 THR N N 15 116.193 0.300 . 1 . . . . 73 THR N . 11109 1 865 . 1 1 74 74 ASN H H 1 7.045 0.030 . 1 . . . . 74 ASN H . 11109 1 866 . 1 1 74 74 ASN HA H 1 4.772 0.030 . 1 . . . . 74 ASN HA . 11109 1 867 . 1 1 74 74 ASN HB2 H 1 2.696 0.030 . 2 . . . . 74 ASN HB2 . 11109 1 868 . 1 1 74 74 ASN HB3 H 1 2.633 0.030 . 2 . . . . 74 ASN HB3 . 11109 1 869 . 1 1 74 74 ASN HD21 H 1 7.767 0.030 . 2 . . . . 74 ASN HD21 . 11109 1 870 . 1 1 74 74 ASN HD22 H 1 7.145 0.030 . 2 . . . . 74 ASN HD22 . 11109 1 871 . 1 1 74 74 ASN C C 13 175.262 0.300 . 1 . . . . 74 ASN C . 11109 1 872 . 1 1 74 74 ASN CA C 13 53.221 0.300 . 1 . . . . 74 ASN CA . 11109 1 873 . 1 1 74 74 ASN CB C 13 40.113 0.300 . 1 . . . . 74 ASN CB . 11109 1 874 . 1 1 74 74 ASN N N 15 120.110 0.300 . 1 . . . . 74 ASN N . 11109 1 875 . 1 1 74 74 ASN ND2 N 15 113.473 0.300 . 1 . . . . 74 ASN ND2 . 11109 1 876 . 1 1 75 75 ASP H H 1 8.693 0.030 . 1 . . . . 75 ASP H . 11109 1 877 . 1 1 75 75 ASP HA H 1 4.233 0.030 . 1 . . . . 75 ASP HA . 11109 1 878 . 1 1 75 75 ASP HB2 H 1 2.671 0.030 . 1 . . . . 75 ASP HB2 . 11109 1 879 . 1 1 75 75 ASP HB3 H 1 2.671 0.030 . 1 . . . . 75 ASP HB3 . 11109 1 880 . 1 1 75 75 ASP C C 13 176.813 0.300 . 1 . . . . 75 ASP C . 11109 1 881 . 1 1 75 75 ASP CA C 13 56.258 0.300 . 1 . . . . 75 ASP CA . 11109 1 882 . 1 1 75 75 ASP CB C 13 40.695 0.300 . 1 . . . . 75 ASP CB . 11109 1 883 . 1 1 75 75 ASP N N 15 124.960 0.300 . 1 . . . . 75 ASP N . 11109 1 884 . 1 1 76 76 GLN H H 1 8.575 0.030 . 1 . . . . 76 GLN H . 11109 1 885 . 1 1 76 76 GLN HA H 1 4.149 0.030 . 1 . . . . 76 GLN HA . 11109 1 886 . 1 1 76 76 GLN HB2 H 1 1.919 0.030 . 2 . . . . 76 GLN HB2 . 11109 1 887 . 1 1 76 76 GLN HB3 H 1 1.748 0.030 . 2 . . . . 76 GLN HB3 . 11109 1 888 . 1 1 76 76 GLN HE21 H 1 7.662 0.030 . 2 . . . . 76 GLN HE21 . 11109 1 889 . 1 1 76 76 GLN HE22 H 1 6.920 0.030 . 2 . . . . 76 GLN HE22 . 11109 1 890 . 1 1 76 76 GLN HG2 H 1 2.543 0.030 . 2 . . . . 76 GLN HG2 . 11109 1 891 . 1 1 76 76 GLN HG3 H 1 2.442 0.030 . 2 . . . . 76 GLN HG3 . 11109 1 892 . 1 1 76 76 GLN C C 13 175.659 0.300 . 1 . . . . 76 GLN C . 11109 1 893 . 1 1 76 76 GLN CA C 13 56.959 0.300 . 1 . . . . 76 GLN CA . 11109 1 894 . 1 1 76 76 GLN CB C 13 28.489 0.300 . 1 . . . . 76 GLN CB . 11109 1 895 . 1 1 76 76 GLN CG C 13 34.540 0.300 . 1 . . . . 76 GLN CG . 11109 1 896 . 1 1 76 76 GLN N N 15 116.721 0.300 . 1 . . . . 76 GLN N . 11109 1 897 . 1 1 76 76 GLN NE2 N 15 112.421 0.300 . 1 . . . . 76 GLN NE2 . 11109 1 898 . 1 1 77 77 TYR H H 1 7.501 0.030 . 1 . . . . 77 TYR H . 11109 1 899 . 1 1 77 77 TYR HA H 1 3.542 0.030 . 1 . . . . 77 TYR HA . 11109 1 900 . 1 1 77 77 TYR HB2 H 1 2.857 0.030 . 2 . . . . 77 TYR HB2 . 11109 1 901 . 1 1 77 77 TYR HB3 H 1 2.609 0.030 . 2 . . . . 77 TYR HB3 . 11109 1 902 . 1 1 77 77 TYR HD1 H 1 6.748 0.030 . 1 . . . . 77 TYR HD1 . 11109 1 903 . 1 1 77 77 TYR HD2 H 1 6.748 0.030 . 1 . . . . 77 TYR HD2 . 11109 1 904 . 1 1 77 77 TYR HE1 H 1 6.485 0.030 . 1 . . . . 77 TYR HE1 . 11109 1 905 . 1 1 77 77 TYR HE2 H 1 6.485 0.030 . 1 . . . . 77 TYR HE2 . 11109 1 906 . 1 1 77 77 TYR C C 13 173.456 0.300 . 1 . . . . 77 TYR C . 11109 1 907 . 1 1 77 77 TYR CA C 13 56.723 0.300 . 1 . . . . 77 TYR CA . 11109 1 908 . 1 1 77 77 TYR CB C 13 36.637 0.300 . 1 . . . . 77 TYR CB . 11109 1 909 . 1 1 77 77 TYR CD1 C 13 132.196 0.300 . 1 . . . . 77 TYR CD1 . 11109 1 910 . 1 1 77 77 TYR CD2 C 13 132.196 0.300 . 1 . . . . 77 TYR CD2 . 11109 1 911 . 1 1 77 77 TYR CE1 C 13 117.709 0.300 . 1 . . . . 77 TYR CE1 . 11109 1 912 . 1 1 77 77 TYR CE2 C 13 117.709 0.300 . 1 . . . . 77 TYR CE2 . 11109 1 913 . 1 1 77 77 TYR N N 15 119.669 0.300 . 1 . . . . 77 TYR N . 11109 1 914 . 1 1 78 78 LYS H H 1 6.645 0.030 . 1 . . . . 78 LYS H . 11109 1 915 . 1 1 78 78 LYS HA H 1 4.066 0.030 . 1 . . . . 78 LYS HA . 11109 1 916 . 1 1 78 78 LYS HB2 H 1 1.701 0.030 . 1 . . . . 78 LYS HB2 . 11109 1 917 . 1 1 78 78 LYS HB3 H 1 1.701 0.030 . 1 . . . . 78 LYS HB3 . 11109 1 918 . 1 1 78 78 LYS HE2 H 1 2.961 0.030 . 2 . . . . 78 LYS HE2 . 11109 1 919 . 1 1 78 78 LYS HG2 H 1 1.322 0.030 . 1 . . . . 78 LYS HG2 . 11109 1 920 . 1 1 78 78 LYS HG3 H 1 1.322 0.030 . 1 . . . . 78 LYS HG3 . 11109 1 921 . 1 1 78 78 LYS C C 13 177.401 0.300 . 1 . . . . 78 LYS C . 11109 1 922 . 1 1 78 78 LYS CA C 13 56.294 0.300 . 1 . . . . 78 LYS CA . 11109 1 923 . 1 1 78 78 LYS CB C 13 33.554 0.300 . 1 . . . . 78 LYS CB . 11109 1 924 . 1 1 78 78 LYS CD C 13 29.260 0.300 . 1 . . . . 78 LYS CD . 11109 1 925 . 1 1 78 78 LYS CE C 13 42.082 0.300 . 1 . . . . 78 LYS CE . 11109 1 926 . 1 1 78 78 LYS CG C 13 24.545 0.300 . 1 . . . . 78 LYS CG . 11109 1 927 . 1 1 78 78 LYS N N 15 117.052 0.300 . 1 . . . . 78 LYS N . 11109 1 928 . 1 1 79 79 VAL H H 1 8.711 0.030 . 1 . . . . 79 VAL H . 11109 1 929 . 1 1 79 79 VAL HA H 1 3.896 0.030 . 1 . . . . 79 VAL HA . 11109 1 930 . 1 1 79 79 VAL HB H 1 1.849 0.030 . 1 . . . . 79 VAL HB . 11109 1 931 . 1 1 79 79 VAL HG11 H 1 0.540 0.030 . 1 . . . . 79 VAL HG1 . 11109 1 932 . 1 1 79 79 VAL HG12 H 1 0.540 0.030 . 1 . . . . 79 VAL HG1 . 11109 1 933 . 1 1 79 79 VAL HG13 H 1 0.540 0.030 . 1 . . . . 79 VAL HG1 . 11109 1 934 . 1 1 79 79 VAL HG21 H 1 0.540 0.030 . 1 . . . . 79 VAL HG2 . 11109 1 935 . 1 1 79 79 VAL HG22 H 1 0.540 0.030 . 1 . . . . 79 VAL HG2 . 11109 1 936 . 1 1 79 79 VAL HG23 H 1 0.540 0.030 . 1 . . . . 79 VAL HG2 . 11109 1 937 . 1 1 79 79 VAL C C 13 175.086 0.300 . 1 . . . . 79 VAL C . 11109 1 938 . 1 1 79 79 VAL CA C 13 62.967 0.300 . 1 . . . . 79 VAL CA . 11109 1 939 . 1 1 79 79 VAL CB C 13 32.412 0.300 . 1 . . . . 79 VAL CB . 11109 1 940 . 1 1 79 79 VAL CG1 C 13 22.061 0.300 . 1 . . . . 79 VAL CG1 . 11109 1 941 . 1 1 79 79 VAL CG2 C 13 22.061 0.300 . 1 . . . . 79 VAL CG2 . 11109 1 942 . 1 1 79 79 VAL N N 15 125.854 0.300 . 1 . . . . 79 VAL N . 11109 1 943 . 1 1 80 80 GLU H H 1 8.330 0.030 . 1 . . . . 80 GLU H . 11109 1 944 . 1 1 80 80 GLU HA H 1 4.407 0.030 . 1 . . . . 80 GLU HA . 11109 1 945 . 1 1 80 80 GLU HB2 H 1 1.990 0.030 . 2 . . . . 80 GLU HB2 . 11109 1 946 . 1 1 80 80 GLU HB3 H 1 1.699 0.030 . 2 . . . . 80 GLU HB3 . 11109 1 947 . 1 1 80 80 GLU HG2 H 1 2.040 0.030 . 1 . . . . 80 GLU HG2 . 11109 1 948 . 1 1 80 80 GLU HG3 H 1 2.040 0.030 . 1 . . . . 80 GLU HG3 . 11109 1 949 . 1 1 80 80 GLU C C 13 175.032 0.300 . 1 . . . . 80 GLU C . 11109 1 950 . 1 1 80 80 GLU CA C 13 55.199 0.300 . 1 . . . . 80 GLU CA . 11109 1 951 . 1 1 80 80 GLU CB C 13 30.295 0.300 . 1 . . . . 80 GLU CB . 11109 1 952 . 1 1 80 80 GLU CG C 13 36.415 0.300 . 1 . . . . 80 GLU CG . 11109 1 953 . 1 1 81 81 GLY H H 1 7.341 0.030 . 1 . . . . 81 GLY H . 11109 1 954 . 1 1 81 81 GLY HA2 H 1 3.929 0.030 . 2 . . . . 81 GLY HA2 . 11109 1 955 . 1 1 81 81 GLY HA3 H 1 3.452 0.030 . 2 . . . . 81 GLY HA3 . 11109 1 956 . 1 1 81 81 GLY C C 13 170.931 0.300 . 1 . . . . 81 GLY C . 11109 1 957 . 1 1 81 81 GLY CA C 13 43.620 0.300 . 1 . . . . 81 GLY CA . 11109 1 958 . 1 1 81 81 GLY N N 15 109.170 0.300 . 1 . . . . 81 GLY N . 11109 1 959 . 1 1 82 82 PHE H H 1 8.458 0.030 . 1 . . . . 82 PHE H . 11109 1 960 . 1 1 82 82 PHE HA H 1 5.113 0.030 . 1 . . . . 82 PHE HA . 11109 1 961 . 1 1 82 82 PHE HB2 H 1 3.107 0.030 . 2 . . . . 82 PHE HB2 . 11109 1 962 . 1 1 82 82 PHE HB3 H 1 2.819 0.030 . 2 . . . . 82 PHE HB3 . 11109 1 963 . 1 1 82 82 PHE HD1 H 1 7.079 0.030 . 1 . . . . 82 PHE HD1 . 11109 1 964 . 1 1 82 82 PHE HD2 H 1 7.079 0.030 . 1 . . . . 82 PHE HD2 . 11109 1 965 . 1 1 82 82 PHE HE1 H 1 7.190 0.030 . 1 . . . . 82 PHE HE1 . 11109 1 966 . 1 1 82 82 PHE HE2 H 1 7.190 0.030 . 1 . . . . 82 PHE HE2 . 11109 1 967 . 1 1 82 82 PHE HZ H 1 7.170 0.030 . 1 . . . . 82 PHE HZ . 11109 1 968 . 1 1 82 82 PHE C C 13 173.579 0.300 . 1 . . . . 82 PHE C . 11109 1 969 . 1 1 82 82 PHE CA C 13 54.309 0.300 . 1 . . . . 82 PHE CA . 11109 1 970 . 1 1 82 82 PHE CB C 13 41.839 0.300 . 1 . . . . 82 PHE CB . 11109 1 971 . 1 1 82 82 PHE CD1 C 13 131.598 0.300 . 1 . . . . 82 PHE CD1 . 11109 1 972 . 1 1 82 82 PHE CD2 C 13 131.598 0.300 . 1 . . . . 82 PHE CD2 . 11109 1 973 . 1 1 82 82 PHE CE1 C 13 131.323 0.300 . 1 . . . . 82 PHE CE1 . 11109 1 974 . 1 1 82 82 PHE CE2 C 13 131.323 0.300 . 1 . . . . 82 PHE CE2 . 11109 1 975 . 1 1 82 82 PHE CZ C 13 129.276 0.300 . 1 . . . . 82 PHE CZ . 11109 1 976 . 1 1 82 82 PHE N N 15 116.469 0.300 . 1 . . . . 82 PHE N . 11109 1 977 . 1 1 83 83 PRO HA H 1 5.357 0.030 . 1 . . . . 83 PRO HA . 11109 1 978 . 1 1 83 83 PRO HB2 H 1 2.909 0.030 . 2 . . . . 83 PRO HB2 . 11109 1 979 . 1 1 83 83 PRO HB3 H 1 1.732 0.030 . 2 . . . . 83 PRO HB3 . 11109 1 980 . 1 1 83 83 PRO HD2 H 1 3.667 0.030 . 2 . . . . 83 PRO HD2 . 11109 1 981 . 1 1 83 83 PRO HD3 H 1 3.422 0.030 . 2 . . . . 83 PRO HD3 . 11109 1 982 . 1 1 83 83 PRO HG2 H 1 1.841 0.030 . 1 . . . . 83 PRO HG2 . 11109 1 983 . 1 1 83 83 PRO HG3 H 1 1.841 0.030 . 1 . . . . 83 PRO HG3 . 11109 1 984 . 1 1 83 83 PRO C C 13 177.854 0.300 . 1 . . . . 83 PRO C . 11109 1 985 . 1 1 83 83 PRO CA C 13 63.322 0.300 . 1 . . . . 83 PRO CA . 11109 1 986 . 1 1 83 83 PRO CB C 13 34.628 0.300 . 1 . . . . 83 PRO CB . 11109 1 987 . 1 1 83 83 PRO CD C 13 49.333 0.300 . 1 . . . . 83 PRO CD . 11109 1 988 . 1 1 83 83 PRO CG C 13 24.572 0.300 . 1 . . . . 83 PRO CG . 11109 1 989 . 1 1 84 84 THR H H 1 8.742 0.030 . 1 . . . . 84 THR H . 11109 1 990 . 1 1 84 84 THR HA H 1 4.609 0.030 . 1 . . . . 84 THR HA . 11109 1 991 . 1 1 84 84 THR HB H 1 4.253 0.030 . 1 . . . . 84 THR HB . 11109 1 992 . 1 1 84 84 THR HG21 H 1 1.359 0.030 . 1 . . . . 84 THR HG2 . 11109 1 993 . 1 1 84 84 THR HG22 H 1 1.359 0.030 . 1 . . . . 84 THR HG2 . 11109 1 994 . 1 1 84 84 THR HG23 H 1 1.359 0.030 . 1 . . . . 84 THR HG2 . 11109 1 995 . 1 1 84 84 THR C C 13 172.164 0.300 . 1 . . . . 84 THR C . 11109 1 996 . 1 1 84 84 THR CA C 13 63.572 0.300 . 1 . . . . 84 THR CA . 11109 1 997 . 1 1 84 84 THR CB C 13 72.195 0.300 . 1 . . . . 84 THR CB . 11109 1 998 . 1 1 84 84 THR CG2 C 13 22.587 0.300 . 1 . . . . 84 THR CG2 . 11109 1 999 . 1 1 84 84 THR N N 15 117.217 0.300 . 1 . . . . 84 THR N . 11109 1 1000 . 1 1 85 85 ILE H H 1 9.369 0.030 . 1 . . . . 85 ILE H . 11109 1 1001 . 1 1 85 85 ILE HA H 1 5.331 0.030 . 1 . . . . 85 ILE HA . 11109 1 1002 . 1 1 85 85 ILE HB H 1 1.533 0.030 . 1 . . . . 85 ILE HB . 11109 1 1003 . 1 1 85 85 ILE HD11 H 1 0.623 0.030 . 1 . . . . 85 ILE HD1 . 11109 1 1004 . 1 1 85 85 ILE HD12 H 1 0.623 0.030 . 1 . . . . 85 ILE HD1 . 11109 1 1005 . 1 1 85 85 ILE HD13 H 1 0.623 0.030 . 1 . . . . 85 ILE HD1 . 11109 1 1006 . 1 1 85 85 ILE HG12 H 1 1.472 0.030 . 2 . . . . 85 ILE HG12 . 11109 1 1007 . 1 1 85 85 ILE HG13 H 1 0.677 0.030 . 2 . . . . 85 ILE HG13 . 11109 1 1008 . 1 1 85 85 ILE HG21 H 1 0.802 0.030 . 1 . . . . 85 ILE HG2 . 11109 1 1009 . 1 1 85 85 ILE HG22 H 1 0.802 0.030 . 1 . . . . 85 ILE HG2 . 11109 1 1010 . 1 1 85 85 ILE HG23 H 1 0.802 0.030 . 1 . . . . 85 ILE HG2 . 11109 1 1011 . 1 1 85 85 ILE C C 13 173.875 0.300 . 1 . . . . 85 ILE C . 11109 1 1012 . 1 1 85 85 ILE CA C 13 59.755 0.300 . 1 . . . . 85 ILE CA . 11109 1 1013 . 1 1 85 85 ILE CB C 13 41.779 0.300 . 1 . . . . 85 ILE CB . 11109 1 1014 . 1 1 85 85 ILE CD1 C 13 14.073 0.300 . 1 . . . . 85 ILE CD1 . 11109 1 1015 . 1 1 85 85 ILE CG1 C 13 28.334 0.300 . 1 . . . . 85 ILE CG1 . 11109 1 1016 . 1 1 85 85 ILE CG2 C 13 17.913 0.300 . 1 . . . . 85 ILE CG2 . 11109 1 1017 . 1 1 85 85 ILE N N 15 129.537 0.300 . 1 . . . . 85 ILE N . 11109 1 1018 . 1 1 86 86 TYR H H 1 9.044 0.030 . 1 . . . . 86 TYR H . 11109 1 1019 . 1 1 86 86 TYR HA H 1 5.770 0.030 . 1 . . . . 86 TYR HA . 11109 1 1020 . 1 1 86 86 TYR HB2 H 1 2.876 0.030 . 1 . . . . 86 TYR HB2 . 11109 1 1021 . 1 1 86 86 TYR HB3 H 1 2.876 0.030 . 1 . . . . 86 TYR HB3 . 11109 1 1022 . 1 1 86 86 TYR HD1 H 1 6.907 0.030 . 1 . . . . 86 TYR HD1 . 11109 1 1023 . 1 1 86 86 TYR HD2 H 1 6.907 0.030 . 1 . . . . 86 TYR HD2 . 11109 1 1024 . 1 1 86 86 TYR HE1 H 1 6.793 0.030 . 1 . . . . 86 TYR HE1 . 11109 1 1025 . 1 1 86 86 TYR HE2 H 1 6.793 0.030 . 1 . . . . 86 TYR HE2 . 11109 1 1026 . 1 1 86 86 TYR C C 13 174.720 0.300 . 1 . . . . 86 TYR C . 11109 1 1027 . 1 1 86 86 TYR CA C 13 56.760 0.300 . 1 . . . . 86 TYR CA . 11109 1 1028 . 1 1 86 86 TYR CB C 13 44.080 0.300 . 1 . . . . 86 TYR CB . 11109 1 1029 . 1 1 86 86 TYR CD1 C 13 132.292 0.300 . 1 . . . . 86 TYR CD1 . 11109 1 1030 . 1 1 86 86 TYR CD2 C 13 132.292 0.300 . 1 . . . . 86 TYR CD2 . 11109 1 1031 . 1 1 86 86 TYR CE1 C 13 118.090 0.300 . 1 . . . . 86 TYR CE1 . 11109 1 1032 . 1 1 86 86 TYR CE2 C 13 118.090 0.300 . 1 . . . . 86 TYR CE2 . 11109 1 1033 . 1 1 86 86 TYR N N 15 122.437 0.300 . 1 . . . . 86 TYR N . 11109 1 1034 . 1 1 87 87 PHE H H 1 10.045 0.030 . 1 . . . . 87 PHE H . 11109 1 1035 . 1 1 87 87 PHE HA H 1 5.262 0.030 . 1 . . . . 87 PHE HA . 11109 1 1036 . 1 1 87 87 PHE HB2 H 1 2.877 0.030 . 1 . . . . 87 PHE HB2 . 11109 1 1037 . 1 1 87 87 PHE HB3 H 1 2.877 0.030 . 1 . . . . 87 PHE HB3 . 11109 1 1038 . 1 1 87 87 PHE HD1 H 1 6.830 0.030 . 1 . . . . 87 PHE HD1 . 11109 1 1039 . 1 1 87 87 PHE HD2 H 1 6.830 0.030 . 1 . . . . 87 PHE HD2 . 11109 1 1040 . 1 1 87 87 PHE HE1 H 1 7.045 0.030 . 1 . . . . 87 PHE HE1 . 11109 1 1041 . 1 1 87 87 PHE HE2 H 1 7.045 0.030 . 1 . . . . 87 PHE HE2 . 11109 1 1042 . 1 1 87 87 PHE HZ H 1 7.097 0.030 . 1 . . . . 87 PHE HZ . 11109 1 1043 . 1 1 87 87 PHE C C 13 173.558 0.300 . 1 . . . . 87 PHE C . 11109 1 1044 . 1 1 87 87 PHE CA C 13 57.291 0.300 . 1 . . . . 87 PHE CA . 11109 1 1045 . 1 1 87 87 PHE CB C 13 42.272 0.300 . 1 . . . . 87 PHE CB . 11109 1 1046 . 1 1 87 87 PHE CD1 C 13 130.725 0.300 . 1 . . . . 87 PHE CD1 . 11109 1 1047 . 1 1 87 87 PHE CD2 C 13 130.725 0.300 . 1 . . . . 87 PHE CD2 . 11109 1 1048 . 1 1 87 87 PHE CE1 C 13 130.742 0.300 . 1 . . . . 87 PHE CE1 . 11109 1 1049 . 1 1 87 87 PHE CE2 C 13 130.742 0.300 . 1 . . . . 87 PHE CE2 . 11109 1 1050 . 1 1 87 87 PHE CZ C 13 129.241 0.300 . 1 . . . . 87 PHE CZ . 11109 1 1051 . 1 1 87 87 PHE N N 15 121.574 0.300 . 1 . . . . 87 PHE N . 11109 1 1052 . 1 1 88 88 ALA H H 1 9.637 0.030 . 1 . . . . 88 ALA H . 11109 1 1053 . 1 1 88 88 ALA HA H 1 5.102 0.030 . 1 . . . . 88 ALA HA . 11109 1 1054 . 1 1 88 88 ALA HB1 H 1 1.398 0.030 . 1 . . . . 88 ALA HB . 11109 1 1055 . 1 1 88 88 ALA HB2 H 1 1.398 0.030 . 1 . . . . 88 ALA HB . 11109 1 1056 . 1 1 88 88 ALA HB3 H 1 1.398 0.030 . 1 . . . . 88 ALA HB . 11109 1 1057 . 1 1 88 88 ALA C C 13 174.231 0.300 . 1 . . . . 88 ALA C . 11109 1 1058 . 1 1 88 88 ALA CA C 13 48.036 0.300 . 1 . . . . 88 ALA CA . 11109 1 1059 . 1 1 88 88 ALA CB C 13 20.943 0.300 . 1 . . . . 88 ALA CB . 11109 1 1060 . 1 1 88 88 ALA N N 15 134.057 0.300 . 1 . . . . 88 ALA N . 11109 1 1061 . 1 1 89 89 PRO HA H 1 4.470 0.030 . 1 . . . . 89 PRO HA . 11109 1 1062 . 1 1 89 89 PRO HB2 H 1 2.562 0.030 . 2 . . . . 89 PRO HB2 . 11109 1 1063 . 1 1 89 89 PRO HB3 H 1 1.983 0.030 . 2 . . . . 89 PRO HB3 . 11109 1 1064 . 1 1 89 89 PRO HD2 H 1 3.758 0.030 . 2 . . . . 89 PRO HD2 . 11109 1 1065 . 1 1 89 89 PRO HD3 H 1 4.394 0.030 . 2 . . . . 89 PRO HD3 . 11109 1 1066 . 1 1 89 89 PRO HG2 H 1 2.115 0.030 . 2 . . . . 89 PRO HG2 . 11109 1 1067 . 1 1 89 89 PRO HG3 H 1 2.314 0.030 . 2 . . . . 89 PRO HG3 . 11109 1 1068 . 1 1 89 89 PRO C C 13 177.449 0.300 . 1 . . . . 89 PRO C . 11109 1 1069 . 1 1 89 89 PRO CA C 13 62.583 0.300 . 1 . . . . 89 PRO CA . 11109 1 1070 . 1 1 89 89 PRO CB C 13 32.753 0.300 . 1 . . . . 89 PRO CB . 11109 1 1071 . 1 1 89 89 PRO CD C 13 51.586 0.300 . 1 . . . . 89 PRO CD . 11109 1 1072 . 1 1 89 89 PRO CG C 13 27.500 0.300 . 1 . . . . 89 PRO CG . 11109 1 1073 . 1 1 90 90 SER H H 1 9.486 0.030 . 1 . . . . 90 SER H . 11109 1 1074 . 1 1 90 90 SER HA H 1 3.688 0.030 . 1 . . . . 90 SER HA . 11109 1 1075 . 1 1 90 90 SER HB2 H 1 3.728 0.030 . 2 . . . . 90 SER HB2 . 11109 1 1076 . 1 1 90 90 SER HB3 H 1 3.532 0.030 . 2 . . . . 90 SER HB3 . 11109 1 1077 . 1 1 90 90 SER C C 13 174.638 0.300 . 1 . . . . 90 SER C . 11109 1 1078 . 1 1 90 90 SER CA C 13 61.300 0.300 . 1 . . . . 90 SER CA . 11109 1 1079 . 1 1 90 90 SER CB C 13 62.389 0.300 . 1 . . . . 90 SER CB . 11109 1 1080 . 1 1 90 90 SER N N 15 119.121 0.300 . 1 . . . . 90 SER N . 11109 1 1081 . 1 1 91 91 GLY H H 1 8.338 0.030 . 1 . . . . 91 GLY H . 11109 1 1082 . 1 1 91 91 GLY HA2 H 1 4.206 0.030 . 2 . . . . 91 GLY HA2 . 11109 1 1083 . 1 1 91 91 GLY HA3 H 1 3.840 0.030 . 2 . . . . 91 GLY HA3 . 11109 1 1084 . 1 1 91 91 GLY C C 13 174.436 0.300 . 1 . . . . 91 GLY C . 11109 1 1085 . 1 1 91 91 GLY CA C 13 45.253 0.300 . 1 . . . . 91 GLY CA . 11109 1 1086 . 1 1 91 91 GLY N N 15 107.001 0.300 . 1 . . . . 91 GLY N . 11109 1 1087 . 1 1 92 92 ASP H H 1 7.746 0.030 . 1 . . . . 92 ASP H . 11109 1 1088 . 1 1 92 92 ASP HA H 1 5.003 0.030 . 1 . . . . 92 ASP HA . 11109 1 1089 . 1 1 92 92 ASP HB2 H 1 2.798 0.030 . 2 . . . . 92 ASP HB2 . 11109 1 1090 . 1 1 92 92 ASP HB3 H 1 2.448 0.030 . 2 . . . . 92 ASP HB3 . 11109 1 1091 . 1 1 92 92 ASP C C 13 175.233 0.300 . 1 . . . . 92 ASP C . 11109 1 1092 . 1 1 92 92 ASP CA C 13 53.446 0.300 . 1 . . . . 92 ASP CA . 11109 1 1093 . 1 1 92 92 ASP CB C 13 40.385 0.300 . 1 . . . . 92 ASP CB . 11109 1 1094 . 1 1 92 92 ASP N N 15 120.281 0.300 . 1 . . . . 92 ASP N . 11109 1 1095 . 1 1 93 93 LYS H H 1 8.565 0.030 . 1 . . . . 93 LYS H . 11109 1 1096 . 1 1 93 93 LYS HA H 1 3.912 0.030 . 1 . . . . 93 LYS HA . 11109 1 1097 . 1 1 93 93 LYS HB2 H 1 2.163 0.030 . 2 . . . . 93 LYS HB2 . 11109 1 1098 . 1 1 93 93 LYS HB3 H 1 1.971 0.030 . 2 . . . . 93 LYS HB3 . 11109 1 1099 . 1 1 93 93 LYS HD2 H 1 1.512 0.030 . 2 . . . . 93 LYS HD2 . 11109 1 1100 . 1 1 93 93 LYS HD3 H 1 1.462 0.030 . 2 . . . . 93 LYS HD3 . 11109 1 1101 . 1 1 93 93 LYS HE2 H 1 3.163 0.030 . 2 . . . . 93 LYS HE2 . 11109 1 1102 . 1 1 93 93 LYS HE3 H 1 2.540 0.030 . 2 . . . . 93 LYS HE3 . 11109 1 1103 . 1 1 93 93 LYS HG2 H 1 1.299 0.030 . 2 . . . . 93 LYS HG2 . 11109 1 1104 . 1 1 93 93 LYS HG3 H 1 1.434 0.030 . 2 . . . . 93 LYS HG3 . 11109 1 1105 . 1 1 93 93 LYS C C 13 178.330 0.300 . 1 . . . . 93 LYS C . 11109 1 1106 . 1 1 93 93 LYS CA C 13 55.698 0.300 . 1 . . . . 93 LYS CA . 11109 1 1107 . 1 1 93 93 LYS CB C 13 31.696 0.300 . 1 . . . . 93 LYS CB . 11109 1 1108 . 1 1 93 93 LYS CD C 13 27.521 0.300 . 1 . . . . 93 LYS CD . 11109 1 1109 . 1 1 93 93 LYS CE C 13 44.671 0.300 . 1 . . . . 93 LYS CE . 11109 1 1110 . 1 1 93 93 LYS CG C 13 24.040 0.300 . 1 . . . . 93 LYS CG . 11109 1 1111 . 1 1 93 93 LYS N N 15 117.846 0.300 . 1 . . . . 93 LYS N . 11109 1 1112 . 1 1 94 94 LYS H H 1 8.215 0.030 . 1 . . . . 94 LYS H . 11109 1 1113 . 1 1 94 94 LYS HA H 1 4.279 0.030 . 1 . . . . 94 LYS HA . 11109 1 1114 . 1 1 94 94 LYS HB2 H 1 1.833 0.030 . 2 . . . . 94 LYS HB2 . 11109 1 1115 . 1 1 94 94 LYS HB3 H 1 1.954 0.030 . 2 . . . . 94 LYS HB3 . 11109 1 1116 . 1 1 94 94 LYS HD2 H 1 1.693 0.030 . 1 . . . . 94 LYS HD2 . 11109 1 1117 . 1 1 94 94 LYS HD3 H 1 1.693 0.030 . 1 . . . . 94 LYS HD3 . 11109 1 1118 . 1 1 94 94 LYS HE2 H 1 2.993 0.030 . 2 . . . . 94 LYS HE2 . 11109 1 1119 . 1 1 94 94 LYS C C 13 174.756 0.300 . 1 . . . . 94 LYS C . 11109 1 1120 . 1 1 94 94 LYS CA C 13 56.760 0.300 . 1 . . . . 94 LYS CA . 11109 1 1121 . 1 1 94 94 LYS CB C 13 32.317 0.300 . 1 . . . . 94 LYS CB . 11109 1 1122 . 1 1 94 94 LYS CD C 13 29.192 0.300 . 1 . . . . 94 LYS CD . 11109 1 1123 . 1 1 94 94 LYS CE C 13 42.014 0.300 . 1 . . . . 94 LYS CE . 11109 1 1124 . 1 1 94 94 LYS CG C 13 25.377 0.300 . 1 . . . . 94 LYS CG . 11109 1 1125 . 1 1 94 94 LYS N N 15 115.403 0.300 . 1 . . . . 94 LYS N . 11109 1 1126 . 1 1 95 95 ASN H H 1 7.192 0.030 . 1 . . . . 95 ASN H . 11109 1 1127 . 1 1 95 95 ASN HA H 1 5.186 0.030 . 1 . . . . 95 ASN HA . 11109 1 1128 . 1 1 95 95 ASN HB2 H 1 2.590 0.030 . 1 . . . . 95 ASN HB2 . 11109 1 1129 . 1 1 95 95 ASN HB3 H 1 2.590 0.030 . 1 . . . . 95 ASN HB3 . 11109 1 1130 . 1 1 95 95 ASN HD21 H 1 8.628 0.030 . 2 . . . . 95 ASN HD21 . 11109 1 1131 . 1 1 95 95 ASN HD22 H 1 6.800 0.030 . 2 . . . . 95 ASN HD22 . 11109 1 1132 . 1 1 95 95 ASN C C 13 171.033 0.300 . 1 . . . . 95 ASN C . 11109 1 1133 . 1 1 95 95 ASN CA C 13 51.063 0.300 . 1 . . . . 95 ASN CA . 11109 1 1134 . 1 1 95 95 ASN CB C 13 40.025 0.300 . 1 . . . . 95 ASN CB . 11109 1 1135 . 1 1 95 95 ASN N N 15 115.485 0.300 . 1 . . . . 95 ASN N . 11109 1 1136 . 1 1 95 95 ASN ND2 N 15 117.923 0.300 . 1 . . . . 95 ASN ND2 . 11109 1 1137 . 1 1 96 96 PRO HA H 1 4.704 0.030 . 1 . . . . 96 PRO HA . 11109 1 1138 . 1 1 96 96 PRO HB2 H 1 1.943 0.030 . 2 . . . . 96 PRO HB2 . 11109 1 1139 . 1 1 96 96 PRO HB3 H 1 1.569 0.030 . 2 . . . . 96 PRO HB3 . 11109 1 1140 . 1 1 96 96 PRO HD2 H 1 3.324 0.030 . 2 . . . . 96 PRO HD2 . 11109 1 1141 . 1 1 96 96 PRO HD3 H 1 2.896 0.030 . 2 . . . . 96 PRO HD3 . 11109 1 1142 . 1 1 96 96 PRO HG2 H 1 -0.115 0.030 . 2 . . . . 96 PRO HG2 . 11109 1 1143 . 1 1 96 96 PRO HG3 H 1 1.138 0.030 . 2 . . . . 96 PRO HG3 . 11109 1 1144 . 1 1 96 96 PRO C C 13 175.815 0.300 . 1 . . . . 96 PRO C . 11109 1 1145 . 1 1 96 96 PRO CA C 13 63.006 0.300 . 1 . . . . 96 PRO CA . 11109 1 1146 . 1 1 96 96 PRO CB C 13 32.908 0.300 . 1 . . . . 96 PRO CB . 11109 1 1147 . 1 1 96 96 PRO CD C 13 50.059 0.300 . 1 . . . . 96 PRO CD . 11109 1 1148 . 1 1 96 96 PRO CG C 13 25.969 0.300 . 1 . . . . 96 PRO CG . 11109 1 1149 . 1 1 97 97 ILE H H 1 9.184 0.030 . 1 . . . . 97 ILE H . 11109 1 1150 . 1 1 97 97 ILE HA H 1 4.377 0.030 . 1 . . . . 97 ILE HA . 11109 1 1151 . 1 1 97 97 ILE HB H 1 1.733 0.030 . 1 . . . . 97 ILE HB . 11109 1 1152 . 1 1 97 97 ILE HD11 H 1 0.813 0.030 . 1 . . . . 97 ILE HD1 . 11109 1 1153 . 1 1 97 97 ILE HD12 H 1 0.813 0.030 . 1 . . . . 97 ILE HD1 . 11109 1 1154 . 1 1 97 97 ILE HD13 H 1 0.813 0.030 . 1 . . . . 97 ILE HD1 . 11109 1 1155 . 1 1 97 97 ILE HG12 H 1 1.560 0.030 . 2 . . . . 97 ILE HG12 . 11109 1 1156 . 1 1 97 97 ILE HG13 H 1 1.164 0.030 . 2 . . . . 97 ILE HG13 . 11109 1 1157 . 1 1 97 97 ILE HG21 H 1 0.768 0.030 . 1 . . . . 97 ILE HG2 . 11109 1 1158 . 1 1 97 97 ILE HG22 H 1 0.768 0.030 . 1 . . . . 97 ILE HG2 . 11109 1 1159 . 1 1 97 97 ILE HG23 H 1 0.768 0.030 . 1 . . . . 97 ILE HG2 . 11109 1 1160 . 1 1 97 97 ILE C C 13 175.814 0.300 . 1 . . . . 97 ILE C . 11109 1 1161 . 1 1 97 97 ILE CA C 13 60.753 0.300 . 1 . . . . 97 ILE CA . 11109 1 1162 . 1 1 97 97 ILE CB C 13 40.669 0.300 . 1 . . . . 97 ILE CB . 11109 1 1163 . 1 1 97 97 ILE CD1 C 13 14.633 0.300 . 1 . . . . 97 ILE CD1 . 11109 1 1164 . 1 1 97 97 ILE CG1 C 13 27.955 0.300 . 1 . . . . 97 ILE CG1 . 11109 1 1165 . 1 1 97 97 ILE CG2 C 13 18.787 0.300 . 1 . . . . 97 ILE CG2 . 11109 1 1166 . 1 1 97 97 ILE N N 15 120.932 0.300 . 1 . . . . 97 ILE N . 11109 1 1167 . 1 1 98 98 LYS H H 1 9.153 0.030 . 1 . . . . 98 LYS H . 11109 1 1168 . 1 1 98 98 LYS HA H 1 4.285 0.030 . 1 . . . . 98 LYS HA . 11109 1 1169 . 1 1 98 98 LYS HB2 H 1 1.719 0.030 . 2 . . . . 98 LYS HB2 . 11109 1 1170 . 1 1 98 98 LYS HB3 H 1 1.649 0.030 . 2 . . . . 98 LYS HB3 . 11109 1 1171 . 1 1 98 98 LYS HD2 H 1 1.536 0.030 . 2 . . . . 98 LYS HD2 . 11109 1 1172 . 1 1 98 98 LYS HD3 H 1 1.642 0.030 . 2 . . . . 98 LYS HD3 . 11109 1 1173 . 1 1 98 98 LYS HE2 H 1 2.869 0.030 . 2 . . . . 98 LYS HE2 . 11109 1 1174 . 1 1 98 98 LYS HG2 H 1 0.799 0.030 . 2 . . . . 98 LYS HG2 . 11109 1 1175 . 1 1 98 98 LYS HG3 H 1 1.141 0.030 . 2 . . . . 98 LYS HG3 . 11109 1 1176 . 1 1 98 98 LYS C C 13 176.229 0.300 . 1 . . . . 98 LYS C . 11109 1 1177 . 1 1 98 98 LYS CA C 13 56.413 0.300 . 1 . . . . 98 LYS CA . 11109 1 1178 . 1 1 98 98 LYS CB C 13 33.934 0.300 . 1 . . . . 98 LYS CB . 11109 1 1179 . 1 1 98 98 LYS CD C 13 29.304 0.300 . 1 . . . . 98 LYS CD . 11109 1 1180 . 1 1 98 98 LYS CE C 13 42.012 0.300 . 1 . . . . 98 LYS CE . 11109 1 1181 . 1 1 98 98 LYS CG C 13 24.845 0.300 . 1 . . . . 98 LYS CG . 11109 1 1182 . 1 1 98 98 LYS N N 15 131.449 0.300 . 1 . . . . 98 LYS N . 11109 1 1183 . 1 1 99 99 PHE H H 1 8.723 0.030 . 1 . . . . 99 PHE H . 11109 1 1184 . 1 1 99 99 PHE HA H 1 3.739 0.030 . 1 . . . . 99 PHE HA . 11109 1 1185 . 1 1 99 99 PHE HB2 H 1 2.633 0.030 . 2 . . . . 99 PHE HB2 . 11109 1 1186 . 1 1 99 99 PHE HB3 H 1 1.891 0.030 . 2 . . . . 99 PHE HB3 . 11109 1 1187 . 1 1 99 99 PHE HD1 H 1 6.287 0.030 . 1 . . . . 99 PHE HD1 . 11109 1 1188 . 1 1 99 99 PHE HD2 H 1 6.287 0.030 . 1 . . . . 99 PHE HD2 . 11109 1 1189 . 1 1 99 99 PHE HE1 H 1 6.983 0.030 . 1 . . . . 99 PHE HE1 . 11109 1 1190 . 1 1 99 99 PHE HE2 H 1 6.983 0.030 . 1 . . . . 99 PHE HE2 . 11109 1 1191 . 1 1 99 99 PHE HZ H 1 7.184 0.030 . 1 . . . . 99 PHE HZ . 11109 1 1192 . 1 1 99 99 PHE C C 13 175.024 0.300 . 1 . . . . 99 PHE C . 11109 1 1193 . 1 1 99 99 PHE CA C 13 58.580 0.300 . 1 . . . . 99 PHE CA . 11109 1 1194 . 1 1 99 99 PHE CB C 13 38.618 0.300 . 1 . . . . 99 PHE CB . 11109 1 1195 . 1 1 99 99 PHE CD1 C 13 131.615 0.300 . 1 . . . . 99 PHE CD1 . 11109 1 1196 . 1 1 99 99 PHE CD2 C 13 131.615 0.300 . 1 . . . . 99 PHE CD2 . 11109 1 1197 . 1 1 99 99 PHE CE1 C 13 130.961 0.300 . 1 . . . . 99 PHE CE1 . 11109 1 1198 . 1 1 99 99 PHE CE2 C 13 130.961 0.300 . 1 . . . . 99 PHE CE2 . 11109 1 1199 . 1 1 99 99 PHE CZ C 13 129.380 0.300 . 1 . . . . 99 PHE CZ . 11109 1 1200 . 1 1 99 99 PHE N N 15 126.988 0.300 . 1 . . . . 99 PHE N . 11109 1 1201 . 1 1 100 100 GLU H H 1 8.041 0.030 . 1 . . . . 100 GLU H . 11109 1 1202 . 1 1 100 100 GLU HA H 1 4.314 0.030 . 1 . . . . 100 GLU HA . 11109 1 1203 . 1 1 100 100 GLU HB2 H 1 1.958 0.030 . 2 . . . . 100 GLU HB2 . 11109 1 1204 . 1 1 100 100 GLU HB3 H 1 1.624 0.030 . 2 . . . . 100 GLU HB3 . 11109 1 1205 . 1 1 100 100 GLU HG2 H 1 2.113 0.030 . 2 . . . . 100 GLU HG2 . 11109 1 1206 . 1 1 100 100 GLU HG3 H 1 1.980 0.030 . 2 . . . . 100 GLU HG3 . 11109 1 1207 . 1 1 100 100 GLU C C 13 175.755 0.300 . 1 . . . . 100 GLU C . 11109 1 1208 . 1 1 100 100 GLU CA C 13 55.321 0.300 . 1 . . . . 100 GLU CA . 11109 1 1209 . 1 1 100 100 GLU CB C 13 31.478 0.300 . 1 . . . . 100 GLU CB . 11109 1 1210 . 1 1 100 100 GLU CG C 13 36.099 0.300 . 1 . . . . 100 GLU CG . 11109 1 1211 . 1 1 100 100 GLU N N 15 129.325 0.300 . 1 . . . . 100 GLU N . 11109 1 1212 . 1 1 101 101 GLY H H 1 6.733 0.030 . 1 . . . . 101 GLY H . 11109 1 1213 . 1 1 101 101 GLY HA2 H 1 3.721 0.030 . 2 . . . . 101 GLY HA2 . 11109 1 1214 . 1 1 101 101 GLY HA3 H 1 3.657 0.030 . 2 . . . . 101 GLY HA3 . 11109 1 1215 . 1 1 101 101 GLY C C 13 173.710 0.300 . 1 . . . . 101 GLY C . 11109 1 1216 . 1 1 101 101 GLY CA C 13 45.087 0.300 . 1 . . . . 101 GLY CA . 11109 1 1217 . 1 1 101 101 GLY N N 15 107.008 0.300 . 1 . . . . 101 GLY N . 11109 1 1218 . 1 1 102 102 GLY H H 1 8.135 0.030 . 1 . . . . 102 GLY H . 11109 1 1219 . 1 1 102 102 GLY HA2 H 1 3.974 0.030 . 2 . . . . 102 GLY HA2 . 11109 1 1220 . 1 1 102 102 GLY HA3 H 1 3.604 0.030 . 2 . . . . 102 GLY HA3 . 11109 1 1221 . 1 1 102 102 GLY C C 13 173.728 0.300 . 1 . . . . 102 GLY C . 11109 1 1222 . 1 1 102 102 GLY CA C 13 45.176 0.300 . 1 . . . . 102 GLY CA . 11109 1 1223 . 1 1 102 102 GLY N N 15 105.912 0.300 . 1 . . . . 102 GLY N . 11109 1 1224 . 1 1 103 103 ASN H H 1 7.723 0.030 . 1 . . . . 103 ASN H . 11109 1 1225 . 1 1 103 103 ASN HA H 1 4.690 0.030 . 1 . . . . 103 ASN HA . 11109 1 1226 . 1 1 103 103 ASN HB2 H 1 2.187 0.030 . 2 . . . . 103 ASN HB2 . 11109 1 1227 . 1 1 103 103 ASN HB3 H 1 2.137 0.030 . 2 . . . . 103 ASN HB3 . 11109 1 1228 . 1 1 103 103 ASN HD21 H 1 7.234 0.030 . 2 . . . . 103 ASN HD21 . 11109 1 1229 . 1 1 103 103 ASN HD22 H 1 6.697 0.030 . 2 . . . . 103 ASN HD22 . 11109 1 1230 . 1 1 103 103 ASN C C 13 174.440 0.300 . 1 . . . . 103 ASN C . 11109 1 1231 . 1 1 103 103 ASN CA C 13 52.062 0.300 . 1 . . . . 103 ASN CA . 11109 1 1232 . 1 1 103 103 ASN CB C 13 38.041 0.300 . 1 . . . . 103 ASN CB . 11109 1 1233 . 1 1 103 103 ASN N N 15 118.514 0.300 . 1 . . . . 103 ASN N . 11109 1 1234 . 1 1 103 103 ASN ND2 N 15 111.709 0.300 . 1 . . . . 103 ASN ND2 . 11109 1 1235 . 1 1 104 104 ARG H H 1 8.478 0.030 . 1 . . . . 104 ARG H . 11109 1 1236 . 1 1 104 104 ARG HA H 1 4.283 0.030 . 1 . . . . 104 ARG HA . 11109 1 1237 . 1 1 104 104 ARG HB2 H 1 1.814 0.030 . 2 . . . . 104 ARG HB2 . 11109 1 1238 . 1 1 104 104 ARG HB3 H 1 1.675 0.030 . 2 . . . . 104 ARG HB3 . 11109 1 1239 . 1 1 104 104 ARG HD2 H 1 3.316 0.030 . 2 . . . . 104 ARG HD2 . 11109 1 1240 . 1 1 104 104 ARG HD3 H 1 3.008 0.030 . 2 . . . . 104 ARG HD3 . 11109 1 1241 . 1 1 104 104 ARG HG2 H 1 1.545 0.030 . 2 . . . . 104 ARG HG2 . 11109 1 1242 . 1 1 104 104 ARG HG3 H 1 1.345 0.030 . 2 . . . . 104 ARG HG3 . 11109 1 1243 . 1 1 104 104 ARG C C 13 173.485 0.300 . 1 . . . . 104 ARG C . 11109 1 1244 . 1 1 104 104 ARG CA C 13 54.278 0.300 . 1 . . . . 104 ARG CA . 11109 1 1245 . 1 1 104 104 ARG CB C 13 29.125 0.300 . 1 . . . . 104 ARG CB . 11109 1 1246 . 1 1 104 104 ARG CD C 13 43.735 0.300 . 1 . . . . 104 ARG CD . 11109 1 1247 . 1 1 104 104 ARG CG C 13 28.398 0.300 . 1 . . . . 104 ARG CG . 11109 1 1248 . 1 1 104 104 ARG N N 15 124.328 0.300 . 1 . . . . 104 ARG N . 11109 1 1249 . 1 1 105 105 ASP H H 1 7.516 0.030 . 1 . . . . 105 ASP H . 11109 1 1250 . 1 1 105 105 ASP HA H 1 4.788 0.030 . 1 . . . . 105 ASP HA . 11109 1 1251 . 1 1 105 105 ASP HB2 H 1 3.270 0.030 . 2 . . . . 105 ASP HB2 . 11109 1 1252 . 1 1 105 105 ASP HB3 H 1 2.797 0.030 . 2 . . . . 105 ASP HB3 . 11109 1 1253 . 1 1 105 105 ASP C C 13 175.275 0.300 . 1 . . . . 105 ASP C . 11109 1 1254 . 1 1 105 105 ASP CA C 13 51.622 0.300 . 1 . . . . 105 ASP CA . 11109 1 1255 . 1 1 105 105 ASP CB C 13 41.897 0.300 . 1 . . . . 105 ASP CB . 11109 1 1256 . 1 1 105 105 ASP N N 15 117.439 0.300 . 1 . . . . 105 ASP N . 11109 1 1257 . 1 1 106 106 LEU H H 1 8.738 0.030 . 1 . . . . 106 LEU H . 11109 1 1258 . 1 1 106 106 LEU HA H 1 3.848 0.030 . 1 . . . . 106 LEU HA . 11109 1 1259 . 1 1 106 106 LEU HB2 H 1 1.822 0.030 . 2 . . . . 106 LEU HB2 . 11109 1 1260 . 1 1 106 106 LEU HB3 H 1 1.634 0.030 . 2 . . . . 106 LEU HB3 . 11109 1 1261 . 1 1 106 106 LEU HD11 H 1 0.907 0.030 . 1 . . . . 106 LEU HD1 . 11109 1 1262 . 1 1 106 106 LEU HD12 H 1 0.907 0.030 . 1 . . . . 106 LEU HD1 . 11109 1 1263 . 1 1 106 106 LEU HD13 H 1 0.907 0.030 . 1 . . . . 106 LEU HD1 . 11109 1 1264 . 1 1 106 106 LEU HD21 H 1 0.916 0.030 . 1 . . . . 106 LEU HD2 . 11109 1 1265 . 1 1 106 106 LEU HD22 H 1 0.916 0.030 . 1 . . . . 106 LEU HD2 . 11109 1 1266 . 1 1 106 106 LEU HD23 H 1 0.916 0.030 . 1 . . . . 106 LEU HD2 . 11109 1 1267 . 1 1 106 106 LEU HG H 1 1.595 0.030 . 1 . . . . 106 LEU HG . 11109 1 1268 . 1 1 106 106 LEU C C 13 179.950 0.300 . 1 . . . . 106 LEU C . 11109 1 1269 . 1 1 106 106 LEU CA C 13 58.962 0.300 . 1 . . . . 106 LEU CA . 11109 1 1270 . 1 1 106 106 LEU CB C 13 42.310 0.300 . 1 . . . . 106 LEU CB . 11109 1 1271 . 1 1 106 106 LEU CD1 C 13 25.652 0.300 . 2 . . . . 106 LEU CD1 . 11109 1 1272 . 1 1 106 106 LEU CD2 C 13 24.483 0.300 . 2 . . . . 106 LEU CD2 . 11109 1 1273 . 1 1 106 106 LEU CG C 13 27.174 0.300 . 1 . . . . 106 LEU CG . 11109 1 1274 . 1 1 106 106 LEU N N 15 120.567 0.300 . 1 . . . . 106 LEU N . 11109 1 1275 . 1 1 107 107 GLU H H 1 8.792 0.030 . 1 . . . . 107 GLU H . 11109 1 1276 . 1 1 107 107 GLU HA H 1 4.028 0.030 . 1 . . . . 107 GLU HA . 11109 1 1277 . 1 1 107 107 GLU HB2 H 1 2.108 0.030 . 2 . . . . 107 GLU HB2 . 11109 1 1278 . 1 1 107 107 GLU HB3 H 1 1.879 0.030 . 2 . . . . 107 GLU HB3 . 11109 1 1279 . 1 1 107 107 GLU HG2 H 1 2.149 0.030 . 2 . . . . 107 GLU HG2 . 11109 1 1280 . 1 1 107 107 GLU HG3 H 1 2.008 0.030 . 2 . . . . 107 GLU HG3 . 11109 1 1281 . 1 1 107 107 GLU C C 13 179.343 0.300 . 1 . . . . 107 GLU C . 11109 1 1282 . 1 1 107 107 GLU CA C 13 59.976 0.300 . 1 . . . . 107 GLU CA . 11109 1 1283 . 1 1 107 107 GLU CB C 13 29.269 0.300 . 1 . . . . 107 GLU CB . 11109 1 1284 . 1 1 107 107 GLU CG C 13 36.014 0.300 . 1 . . . . 107 GLU CG . 11109 1 1285 . 1 1 107 107 GLU N N 15 120.661 0.300 . 1 . . . . 107 GLU N . 11109 1 1286 . 1 1 108 108 HIS H H 1 8.885 0.030 . 1 . . . . 108 HIS H . 11109 1 1287 . 1 1 108 108 HIS HA H 1 4.281 0.030 . 1 . . . . 108 HIS HA . 11109 1 1288 . 1 1 108 108 HIS HB2 H 1 3.571 0.030 . 2 . . . . 108 HIS HB2 . 11109 1 1289 . 1 1 108 108 HIS HB3 H 1 3.447 0.030 . 2 . . . . 108 HIS HB3 . 11109 1 1290 . 1 1 108 108 HIS HD2 H 1 7.373 0.030 . 1 . . . . 108 HIS HD2 . 11109 1 1291 . 1 1 108 108 HIS HE1 H 1 8.168 0.030 . 1 . . . . 108 HIS HE1 . 11109 1 1292 . 1 1 108 108 HIS C C 13 179.688 0.300 . 1 . . . . 108 HIS C . 11109 1 1293 . 1 1 108 108 HIS CA C 13 62.001 0.300 . 1 . . . . 108 HIS CA . 11109 1 1294 . 1 1 108 108 HIS CB C 13 28.814 0.300 . 1 . . . . 108 HIS CB . 11109 1 1295 . 1 1 108 108 HIS CD2 C 13 123.087 0.300 . 1 . . . . 108 HIS CD2 . 11109 1 1296 . 1 1 108 108 HIS CE1 C 13 137.800 0.300 . 1 . . . . 108 HIS CE1 . 11109 1 1297 . 1 1 108 108 HIS N N 15 117.475 0.300 . 1 . . . . 108 HIS N . 11109 1 1298 . 1 1 109 109 LEU H H 1 8.696 0.030 . 1 . . . . 109 LEU H . 11109 1 1299 . 1 1 109 109 LEU HA H 1 4.101 0.030 . 1 . . . . 109 LEU HA . 11109 1 1300 . 1 1 109 109 LEU HB2 H 1 1.882 0.030 . 2 . . . . 109 LEU HB2 . 11109 1 1301 . 1 1 109 109 LEU HB3 H 1 1.292 0.030 . 2 . . . . 109 LEU HB3 . 11109 1 1302 . 1 1 109 109 LEU HD11 H 1 0.637 0.030 . 1 . . . . 109 LEU HD1 . 11109 1 1303 . 1 1 109 109 LEU HD12 H 1 0.637 0.030 . 1 . . . . 109 LEU HD1 . 11109 1 1304 . 1 1 109 109 LEU HD13 H 1 0.637 0.030 . 1 . . . . 109 LEU HD1 . 11109 1 1305 . 1 1 109 109 LEU HD21 H 1 0.057 0.030 . 1 . . . . 109 LEU HD2 . 11109 1 1306 . 1 1 109 109 LEU HD22 H 1 0.057 0.030 . 1 . . . . 109 LEU HD2 . 11109 1 1307 . 1 1 109 109 LEU HD23 H 1 0.057 0.030 . 1 . . . . 109 LEU HD2 . 11109 1 1308 . 1 1 109 109 LEU HG H 1 1.420 0.030 . 1 . . . . 109 LEU HG . 11109 1 1309 . 1 1 109 109 LEU C C 13 178.190 0.300 . 1 . . . . 109 LEU C . 11109 1 1310 . 1 1 109 109 LEU CA C 13 58.449 0.300 . 1 . . . . 109 LEU CA . 11109 1 1311 . 1 1 109 109 LEU CB C 13 42.420 0.300 . 1 . . . . 109 LEU CB . 11109 1 1312 . 1 1 109 109 LEU CD1 C 13 25.883 0.300 . 2 . . . . 109 LEU CD1 . 11109 1 1313 . 1 1 109 109 LEU CD2 C 13 22.100 0.300 . 2 . . . . 109 LEU CD2 . 11109 1 1314 . 1 1 109 109 LEU CG C 13 27.905 0.300 . 1 . . . . 109 LEU CG . 11109 1 1315 . 1 1 109 109 LEU N N 15 121.479 0.300 . 1 . . . . 109 LEU N . 11109 1 1316 . 1 1 110 110 SER H H 1 8.255 0.030 . 1 . . . . 110 SER H . 11109 1 1317 . 1 1 110 110 SER HA H 1 4.123 0.030 . 1 . . . . 110 SER HA . 11109 1 1318 . 1 1 110 110 SER HB2 H 1 4.413 0.030 . 1 . . . . 110 SER HB2 . 11109 1 1319 . 1 1 110 110 SER HB3 H 1 4.413 0.030 . 1 . . . . 110 SER HB3 . 11109 1 1320 . 1 1 110 110 SER C C 13 174.564 0.300 . 1 . . . . 110 SER C . 11109 1 1321 . 1 1 110 110 SER CA C 13 62.652 0.300 . 1 . . . . 110 SER CA . 11109 1 1322 . 1 1 110 110 SER CB C 13 62.502 0.300 . 1 . . . . 110 SER CB . 11109 1 1323 . 1 1 110 110 SER N N 15 115.242 0.300 . 1 . . . . 110 SER N . 11109 1 1324 . 1 1 111 111 LYS H H 1 7.772 0.030 . 1 . . . . 111 LYS H . 11109 1 1325 . 1 1 111 111 LYS HA H 1 4.021 0.030 . 1 . . . . 111 LYS HA . 11109 1 1326 . 1 1 111 111 LYS HB2 H 1 1.913 0.030 . 1 . . . . 111 LYS HB2 . 11109 1 1327 . 1 1 111 111 LYS HB3 H 1 1.913 0.030 . 1 . . . . 111 LYS HB3 . 11109 1 1328 . 1 1 111 111 LYS HD2 H 1 1.683 0.030 . 2 . . . . 111 LYS HD2 . 11109 1 1329 . 1 1 111 111 LYS HD3 H 1 1.642 0.030 . 2 . . . . 111 LYS HD3 . 11109 1 1330 . 1 1 111 111 LYS HE2 H 1 2.951 0.030 . 1 . . . . 111 LYS HE2 . 11109 1 1331 . 1 1 111 111 LYS HE3 H 1 2.951 0.030 . 1 . . . . 111 LYS HE3 . 11109 1 1332 . 1 1 111 111 LYS HG2 H 1 1.598 0.030 . 2 . . . . 111 LYS HG2 . 11109 1 1333 . 1 1 111 111 LYS HG3 H 1 1.488 0.030 . 2 . . . . 111 LYS HG3 . 11109 1 1334 . 1 1 111 111 LYS C C 13 178.017 0.300 . 1 . . . . 111 LYS C . 11109 1 1335 . 1 1 111 111 LYS CA C 13 59.643 0.300 . 1 . . . . 111 LYS CA . 11109 1 1336 . 1 1 111 111 LYS CB C 13 32.554 0.300 . 1 . . . . 111 LYS CB . 11109 1 1337 . 1 1 111 111 LYS CD C 13 29.365 0.300 . 1 . . . . 111 LYS CD . 11109 1 1338 . 1 1 111 111 LYS CE C 13 42.082 0.300 . 1 . . . . 111 LYS CE . 11109 1 1339 . 1 1 111 111 LYS CG C 13 25.215 0.300 . 1 . . . . 111 LYS CG . 11109 1 1340 . 1 1 111 111 LYS N N 15 120.832 0.300 . 1 . . . . 111 LYS N . 11109 1 1341 . 1 1 112 112 PHE H H 1 7.614 0.030 . 1 . . . . 112 PHE H . 11109 1 1342 . 1 1 112 112 PHE HA H 1 4.661 0.030 . 1 . . . . 112 PHE HA . 11109 1 1343 . 1 1 112 112 PHE HB2 H 1 3.648 0.030 . 2 . . . . 112 PHE HB2 . 11109 1 1344 . 1 1 112 112 PHE HB3 H 1 3.508 0.030 . 2 . . . . 112 PHE HB3 . 11109 1 1345 . 1 1 112 112 PHE HD1 H 1 7.465 0.030 . 1 . . . . 112 PHE HD1 . 11109 1 1346 . 1 1 112 112 PHE HD2 H 1 7.465 0.030 . 1 . . . . 112 PHE HD2 . 11109 1 1347 . 1 1 112 112 PHE HE1 H 1 7.295 0.030 . 1 . . . . 112 PHE HE1 . 11109 1 1348 . 1 1 112 112 PHE HE2 H 1 7.295 0.030 . 1 . . . . 112 PHE HE2 . 11109 1 1349 . 1 1 112 112 PHE HZ H 1 7.371 0.030 . 1 . . . . 112 PHE HZ . 11109 1 1350 . 1 1 112 112 PHE C C 13 177.193 0.300 . 1 . . . . 112 PHE C . 11109 1 1351 . 1 1 112 112 PHE CA C 13 61.033 0.300 . 1 . . . . 112 PHE CA . 11109 1 1352 . 1 1 112 112 PHE CB C 13 40.077 0.300 . 1 . . . . 112 PHE CB . 11109 1 1353 . 1 1 112 112 PHE CD1 C 13 131.893 0.300 . 1 . . . . 112 PHE CD1 . 11109 1 1354 . 1 1 112 112 PHE CD2 C 13 131.893 0.300 . 1 . . . . 112 PHE CD2 . 11109 1 1355 . 1 1 112 112 PHE CE1 C 13 131.829 0.300 . 1 . . . . 112 PHE CE1 . 11109 1 1356 . 1 1 112 112 PHE CE2 C 13 131.829 0.300 . 1 . . . . 112 PHE CE2 . 11109 1 1357 . 1 1 112 112 PHE CZ C 13 130.476 0.300 . 1 . . . . 112 PHE CZ . 11109 1 1358 . 1 1 112 112 PHE N N 15 119.057 0.300 . 1 . . . . 112 PHE N . 11109 1 1359 . 1 1 113 113 ILE H H 1 7.849 0.030 . 1 . . . . 113 ILE H . 11109 1 1360 . 1 1 113 113 ILE HA H 1 3.037 0.030 . 1 . . . . 113 ILE HA . 11109 1 1361 . 1 1 113 113 ILE HB H 1 1.846 0.030 . 1 . . . . 113 ILE HB . 11109 1 1362 . 1 1 113 113 ILE HD11 H 1 0.411 0.030 . 1 . . . . 113 ILE HD1 . 11109 1 1363 . 1 1 113 113 ILE HD12 H 1 0.411 0.030 . 1 . . . . 113 ILE HD1 . 11109 1 1364 . 1 1 113 113 ILE HD13 H 1 0.411 0.030 . 1 . . . . 113 ILE HD1 . 11109 1 1365 . 1 1 113 113 ILE HG12 H 1 0.751 0.030 . 2 . . . . 113 ILE HG12 . 11109 1 1366 . 1 1 113 113 ILE HG13 H 1 1.924 0.030 . 2 . . . . 113 ILE HG13 . 11109 1 1367 . 1 1 113 113 ILE HG21 H 1 0.564 0.030 . 1 . . . . 113 ILE HG2 . 11109 1 1368 . 1 1 113 113 ILE HG22 H 1 0.564 0.030 . 1 . . . . 113 ILE HG2 . 11109 1 1369 . 1 1 113 113 ILE HG23 H 1 0.564 0.030 . 1 . . . . 113 ILE HG2 . 11109 1 1370 . 1 1 113 113 ILE C C 13 177.437 0.300 . 1 . . . . 113 ILE C . 11109 1 1371 . 1 1 113 113 ILE CA C 13 65.462 0.300 . 1 . . . . 113 ILE CA . 11109 1 1372 . 1 1 113 113 ILE CB C 13 38.396 0.300 . 1 . . . . 113 ILE CB . 11109 1 1373 . 1 1 113 113 ILE CD1 C 13 14.940 0.300 . 1 . . . . 113 ILE CD1 . 11109 1 1374 . 1 1 113 113 ILE CG1 C 13 29.314 0.300 . 1 . . . . 113 ILE CG1 . 11109 1 1375 . 1 1 113 113 ILE CG2 C 13 18.108 0.300 . 1 . . . . 113 ILE CG2 . 11109 1 1376 . 1 1 113 113 ILE N N 15 119.157 0.300 . 1 . . . . 113 ILE N . 11109 1 1377 . 1 1 114 114 ASP H H 1 8.691 0.030 . 1 . . . . 114 ASP H . 11109 1 1378 . 1 1 114 114 ASP HA H 1 4.191 0.030 . 1 . . . . 114 ASP HA . 11109 1 1379 . 1 1 114 114 ASP HB2 H 1 2.655 0.030 . 1 . . . . 114 ASP HB2 . 11109 1 1380 . 1 1 114 114 ASP HB3 H 1 2.655 0.030 . 1 . . . . 114 ASP HB3 . 11109 1 1381 . 1 1 114 114 ASP C C 13 179.169 0.300 . 1 . . . . 114 ASP C . 11109 1 1382 . 1 1 114 114 ASP CA C 13 57.141 0.300 . 1 . . . . 114 ASP CA . 11109 1 1383 . 1 1 114 114 ASP CB C 13 39.664 0.300 . 1 . . . . 114 ASP CB . 11109 1 1384 . 1 1 114 114 ASP N N 15 118.254 0.300 . 1 . . . . 114 ASP N . 11109 1 1385 . 1 1 115 115 GLU H H 1 8.054 0.030 . 1 . . . . 115 GLU H . 11109 1 1386 . 1 1 115 115 GLU HA H 1 3.882 0.030 . 1 . . . . 115 GLU HA . 11109 1 1387 . 1 1 115 115 GLU HB2 H 1 1.834 0.030 . 2 . . . . 115 GLU HB2 . 11109 1 1388 . 1 1 115 115 GLU HB3 H 1 1.448 0.030 . 2 . . . . 115 GLU HB3 . 11109 1 1389 . 1 1 115 115 GLU HG2 H 1 2.028 0.030 . 2 . . . . 115 GLU HG2 . 11109 1 1390 . 1 1 115 115 GLU HG3 H 1 1.769 0.030 . 2 . . . . 115 GLU HG3 . 11109 1 1391 . 1 1 115 115 GLU C C 13 177.195 0.300 . 1 . . . . 115 GLU C . 11109 1 1392 . 1 1 115 115 GLU CA C 13 58.075 0.300 . 1 . . . . 115 GLU CA . 11109 1 1393 . 1 1 115 115 GLU CB C 13 29.636 0.300 . 1 . . . . 115 GLU CB . 11109 1 1394 . 1 1 115 115 GLU CG C 13 36.048 0.300 . 1 . . . . 115 GLU CG . 11109 1 1395 . 1 1 115 115 GLU N N 15 117.312 0.300 . 1 . . . . 115 GLU N . 11109 1 1396 . 1 1 116 116 HIS H H 1 6.785 0.030 . 1 . . . . 116 HIS H . 11109 1 1397 . 1 1 116 116 HIS HA H 1 4.382 0.030 . 1 . . . . 116 HIS HA . 11109 1 1398 . 1 1 116 116 HIS HB2 H 1 2.472 0.030 . 2 . . . . 116 HIS HB2 . 11109 1 1399 . 1 1 116 116 HIS HB3 H 1 1.228 0.030 . 2 . . . . 116 HIS HB3 . 11109 1 1400 . 1 1 116 116 HIS HD2 H 1 6.508 0.030 . 1 . . . . 116 HIS HD2 . 11109 1 1401 . 1 1 116 116 HIS HE1 H 1 8.163 0.030 . 1 . . . . 116 HIS HE1 . 11109 1 1402 . 1 1 116 116 HIS C C 13 173.827 0.300 . 1 . . . . 116 HIS C . 11109 1 1403 . 1 1 116 116 HIS CA C 13 56.848 0.300 . 1 . . . . 116 HIS CA . 11109 1 1404 . 1 1 116 116 HIS CB C 13 30.111 0.300 . 1 . . . . 116 HIS CB . 11109 1 1405 . 1 1 116 116 HIS CD2 C 13 121.812 0.300 . 1 . . . . 116 HIS CD2 . 11109 1 1406 . 1 1 116 116 HIS CE1 C 13 137.381 0.300 . 1 . . . . 116 HIS CE1 . 11109 1 1407 . 1 1 116 116 HIS N N 15 114.253 0.300 . 1 . . . . 116 HIS N . 11109 1 1408 . 1 1 117 117 ALA H H 1 7.963 0.030 . 1 . . . . 117 ALA H . 11109 1 1409 . 1 1 117 117 ALA HA H 1 4.305 0.030 . 1 . . . . 117 ALA HA . 11109 1 1410 . 1 1 117 117 ALA HB1 H 1 1.454 0.030 . 1 . . . . 117 ALA HB . 11109 1 1411 . 1 1 117 117 ALA HB2 H 1 1.454 0.030 . 1 . . . . 117 ALA HB . 11109 1 1412 . 1 1 117 117 ALA HB3 H 1 1.454 0.030 . 1 . . . . 117 ALA HB . 11109 1 1413 . 1 1 117 117 ALA C C 13 178.177 0.300 . 1 . . . . 117 ALA C . 11109 1 1414 . 1 1 117 117 ALA CA C 13 53.133 0.300 . 1 . . . . 117 ALA CA . 11109 1 1415 . 1 1 117 117 ALA CB C 13 18.457 0.300 . 1 . . . . 117 ALA CB . 11109 1 1416 . 1 1 117 117 ALA N N 15 122.619 0.300 . 1 . . . . 117 ALA N . 11109 1 1417 . 1 1 118 118 THR H H 1 9.996 0.030 . 1 . . . . 118 THR H . 11109 1 1418 . 1 1 118 118 THR HA H 1 4.139 0.030 . 1 . . . . 118 THR HA . 11109 1 1419 . 1 1 118 118 THR HB H 1 4.310 0.030 . 1 . . . . 118 THR HB . 11109 1 1420 . 1 1 118 118 THR HG21 H 1 1.295 0.030 . 1 . . . . 118 THR HG2 . 11109 1 1421 . 1 1 118 118 THR HG22 H 1 1.295 0.030 . 1 . . . . 118 THR HG2 . 11109 1 1422 . 1 1 118 118 THR HG23 H 1 1.295 0.030 . 1 . . . . 118 THR HG2 . 11109 1 1423 . 1 1 118 118 THR C C 13 175.458 0.300 . 1 . . . . 118 THR C . 11109 1 1424 . 1 1 118 118 THR CA C 13 64.351 0.300 . 1 . . . . 118 THR CA . 11109 1 1425 . 1 1 118 118 THR CB C 13 69.022 0.300 . 1 . . . . 118 THR CB . 11109 1 1426 . 1 1 118 118 THR CG2 C 13 21.850 0.300 . 1 . . . . 118 THR CG2 . 11109 1 1427 . 1 1 118 118 THR N N 15 119.978 0.300 . 1 . . . . 118 THR N . 11109 1 1428 . 1 1 119 119 LYS H H 1 8.502 0.030 . 1 . . . . 119 LYS H . 11109 1 1429 . 1 1 119 119 LYS HA H 1 4.409 0.030 . 1 . . . . 119 LYS HA . 11109 1 1430 . 1 1 119 119 LYS HB2 H 1 1.799 0.030 . 2 . . . . 119 LYS HB2 . 11109 1 1431 . 1 1 119 119 LYS HB3 H 1 1.868 0.030 . 2 . . . . 119 LYS HB3 . 11109 1 1432 . 1 1 119 119 LYS HD2 H 1 1.683 0.030 . 2 . . . . 119 LYS HD2 . 11109 1 1433 . 1 1 119 119 LYS HE2 H 1 2.972 0.030 . 2 . . . . 119 LYS HE2 . 11109 1 1434 . 1 1 119 119 LYS HG2 H 1 1.454 0.030 . 2 . . . . 119 LYS HG2 . 11109 1 1435 . 1 1 119 119 LYS C C 13 176.370 0.300 . 1 . . . . 119 LYS C . 11109 1 1436 . 1 1 119 119 LYS CA C 13 55.919 0.300 . 1 . . . . 119 LYS CA . 11109 1 1437 . 1 1 119 119 LYS CB C 13 32.478 0.300 . 1 . . . . 119 LYS CB . 11109 1 1438 . 1 1 119 119 LYS CD C 13 28.550 0.300 . 1 . . . . 119 LYS CD . 11109 1 1439 . 1 1 119 119 LYS CE C 13 42.219 0.300 . 1 . . . . 119 LYS CE . 11109 1 1440 . 1 1 119 119 LYS CG C 13 24.529 0.300 . 1 . . . . 119 LYS CG . 11109 1 1441 . 1 1 119 119 LYS N N 15 125.696 0.300 . 1 . . . . 119 LYS N . 11109 1 1442 . 1 1 120 120 ARG H H 1 8.324 0.030 . 1 . . . . 120 ARG H . 11109 1 1443 . 1 1 120 120 ARG HA H 1 4.375 0.030 . 1 . . . . 120 ARG HA . 11109 1 1444 . 1 1 120 120 ARG HB2 H 1 1.886 0.030 . 2 . . . . 120 ARG HB2 . 11109 1 1445 . 1 1 120 120 ARG HB3 H 1 1.772 0.030 . 2 . . . . 120 ARG HB3 . 11109 1 1446 . 1 1 120 120 ARG HD2 H 1 3.198 0.030 . 1 . . . . 120 ARG HD2 . 11109 1 1447 . 1 1 120 120 ARG HD3 H 1 3.198 0.030 . 1 . . . . 120 ARG HD3 . 11109 1 1448 . 1 1 120 120 ARG HG2 H 1 1.616 0.030 . 2 . . . . 120 ARG HG2 . 11109 1 1449 . 1 1 120 120 ARG C C 13 176.383 0.300 . 1 . . . . 120 ARG C . 11109 1 1450 . 1 1 120 120 ARG CA C 13 55.908 0.300 . 1 . . . . 120 ARG CA . 11109 1 1451 . 1 1 120 120 ARG CB C 13 31.050 0.300 . 1 . . . . 120 ARG CB . 11109 1 1452 . 1 1 120 120 ARG CD C 13 43.265 0.300 . 1 . . . . 120 ARG CD . 11109 1 1453 . 1 1 120 120 ARG CG C 13 27.172 0.300 . 1 . . . . 120 ARG CG . 11109 1 1454 . 1 1 120 120 ARG N N 15 122.347 0.300 . 1 . . . . 120 ARG N . 11109 1 1455 . 1 1 121 121 SER H H 1 8.462 0.030 . 1 . . . . 121 SER H . 11109 1 1456 . 1 1 121 121 SER HA H 1 4.469 0.030 . 1 . . . . 121 SER HA . 11109 1 1457 . 1 1 121 121 SER HB2 H 1 3.889 0.030 . 1 . . . . 121 SER HB2 . 11109 1 1458 . 1 1 121 121 SER HB3 H 1 3.889 0.030 . 1 . . . . 121 SER HB3 . 11109 1 1459 . 1 1 121 121 SER C C 13 174.597 0.300 . 1 . . . . 121 SER C . 11109 1 1460 . 1 1 121 121 SER CA C 13 58.477 0.300 . 1 . . . . 121 SER CA . 11109 1 1461 . 1 1 121 121 SER CB C 13 63.822 0.300 . 1 . . . . 121 SER CB . 11109 1 1462 . 1 1 121 121 SER N N 15 117.289 0.300 . 1 . . . . 121 SER N . 11109 1 1463 . 1 1 122 122 ARG H H 1 8.485 0.030 . 1 . . . . 122 ARG H . 11109 1 1464 . 1 1 122 122 ARG HA H 1 4.517 0.030 . 1 . . . . 122 ARG HA . 11109 1 1465 . 1 1 122 122 ARG HB2 H 1 1.904 0.030 . 2 . . . . 122 ARG HB2 . 11109 1 1466 . 1 1 122 122 ARG HB3 H 1 1.777 0.030 . 2 . . . . 122 ARG HB3 . 11109 1 1467 . 1 1 122 122 ARG HD2 H 1 3.207 0.030 . 1 . . . . 122 ARG HD2 . 11109 1 1468 . 1 1 122 122 ARG HD3 H 1 3.207 0.030 . 1 . . . . 122 ARG HD3 . 11109 1 1469 . 1 1 122 122 ARG HG2 H 1 1.693 0.030 . 2 . . . . 122 ARG HG2 . 11109 1 1470 . 1 1 122 122 ARG HG3 H 1 1.650 0.030 . 2 . . . . 122 ARG HG3 . 11109 1 1471 . 1 1 122 122 ARG C C 13 176.637 0.300 . 1 . . . . 122 ARG C . 11109 1 1472 . 1 1 122 122 ARG CA C 13 56.017 0.300 . 1 . . . . 122 ARG CA . 11109 1 1473 . 1 1 122 122 ARG CB C 13 31.139 0.300 . 1 . . . . 122 ARG CB . 11109 1 1474 . 1 1 122 122 ARG CD C 13 43.385 0.300 . 1 . . . . 122 ARG CD . 11109 1 1475 . 1 1 122 122 ARG CG C 13 27.224 0.300 . 1 . . . . 122 ARG CG . 11109 1 1476 . 1 1 122 122 ARG N N 15 123.478 0.300 . 1 . . . . 122 ARG N . 11109 1 1477 . 1 1 123 123 THR H H 1 8.335 0.030 . 1 . . . . 123 THR H . 11109 1 1478 . 1 1 123 123 THR HA H 1 4.341 0.030 . 1 . . . . 123 THR HA . 11109 1 1479 . 1 1 123 123 THR HB H 1 4.308 0.030 . 1 . . . . 123 THR HB . 11109 1 1480 . 1 1 123 123 THR HG21 H 1 1.239 0.030 . 1 . . . . 123 THR HG2 . 11109 1 1481 . 1 1 123 123 THR HG22 H 1 1.239 0.030 . 1 . . . . 123 THR HG2 . 11109 1 1482 . 1 1 123 123 THR HG23 H 1 1.239 0.030 . 1 . . . . 123 THR HG2 . 11109 1 1483 . 1 1 123 123 THR C C 13 174.713 0.300 . 1 . . . . 123 THR C . 11109 1 1484 . 1 1 123 123 THR CA C 13 61.854 0.300 . 1 . . . . 123 THR CA . 11109 1 1485 . 1 1 123 123 THR CB C 13 70.122 0.300 . 1 . . . . 123 THR CB . 11109 1 1486 . 1 1 123 123 THR CG2 C 13 21.859 0.300 . 1 . . . . 123 THR CG2 . 11109 1 1487 . 1 1 123 123 THR N N 15 115.420 0.300 . 1 . . . . 123 THR N . 11109 1 1488 . 1 1 124 124 LYS H H 1 8.442 0.030 . 1 . . . . 124 LYS H . 11109 1 1489 . 1 1 124 124 LYS HA H 1 4.233 0.030 . 1 . . . . 124 LYS HA . 11109 1 1490 . 1 1 124 124 LYS HB2 H 1 1.810 0.030 . 2 . . . . 124 LYS HB2 . 11109 1 1491 . 1 1 124 124 LYS HE2 H 1 2.993 0.030 . 2 . . . . 124 LYS HE2 . 11109 1 1492 . 1 1 124 124 LYS HG2 H 1 1.420 0.030 . 2 . . . . 124 LYS HG2 . 11109 1 1493 . 1 1 124 124 LYS C C 13 176.988 0.300 . 1 . . . . 124 LYS C . 11109 1 1494 . 1 1 124 124 LYS CA C 13 57.215 0.300 . 1 . . . . 124 LYS CA . 11109 1 1495 . 1 1 124 124 LYS CB C 13 32.783 0.300 . 1 . . . . 124 LYS CB . 11109 1 1496 . 1 1 124 124 LYS CD C 13 29.260 0.300 . 1 . . . . 124 LYS CD . 11109 1 1497 . 1 1 124 124 LYS CE C 13 42.082 0.300 . 1 . . . . 124 LYS CE . 11109 1 1498 . 1 1 124 124 LYS CG C 13 24.735 0.300 . 1 . . . . 124 LYS CG . 11109 1 1499 . 1 1 124 124 LYS N N 15 122.999 0.300 . 1 . . . . 124 LYS N . 11109 1 1500 . 1 1 125 125 GLU H H 1 8.503 0.030 . 1 . . . . 125 GLU H . 11109 1 1501 . 1 1 125 125 GLU HA H 1 4.224 0.030 . 1 . . . . 125 GLU HA . 11109 1 1502 . 1 1 125 125 GLU HB2 H 1 1.953 0.030 . 2 . . . . 125 GLU HB2 . 11109 1 1503 . 1 1 125 125 GLU HB3 H 1 2.024 0.030 . 2 . . . . 125 GLU HB3 . 11109 1 1504 . 1 1 125 125 GLU HG2 H 1 2.274 0.030 . 2 . . . . 125 GLU HG2 . 11109 1 1505 . 1 1 125 125 GLU C C 13 176.882 0.300 . 1 . . . . 125 GLU C . 11109 1 1506 . 1 1 125 125 GLU CA C 13 57.333 0.300 . 1 . . . . 125 GLU CA . 11109 1 1507 . 1 1 125 125 GLU CB C 13 30.052 0.300 . 1 . . . . 125 GLU CB . 11109 1 1508 . 1 1 125 125 GLU CG C 13 36.460 0.300 . 1 . . . . 125 GLU CG . 11109 1 1509 . 1 1 125 125 GLU N N 15 121.826 0.300 . 1 . . . . 125 GLU N . 11109 1 1510 . 1 1 126 126 GLU H H 1 8.323 0.030 . 1 . . . . 126 GLU H . 11109 1 1511 . 1 1 126 126 GLU HA H 1 4.253 0.030 . 1 . . . . 126 GLU HA . 11109 1 1512 . 1 1 126 126 GLU HB2 H 1 2.038 0.030 . 2 . . . . 126 GLU HB2 . 11109 1 1513 . 1 1 126 126 GLU HB3 H 1 2.002 0.030 . 2 . . . . 126 GLU HB3 . 11109 1 1514 . 1 1 126 126 GLU HG2 H 1 2.274 0.030 . 2 . . . . 126 GLU HG2 . 11109 1 1515 . 1 1 126 126 GLU C C 13 176.729 0.300 . 1 . . . . 126 GLU C . 11109 1 1516 . 1 1 126 126 GLU CA C 13 56.789 0.300 . 1 . . . . 126 GLU CA . 11109 1 1517 . 1 1 126 126 GLU CB C 13 30.257 0.300 . 1 . . . . 126 GLU CB . 11109 1 1518 . 1 1 126 126 GLU CG C 13 36.460 0.300 . 1 . . . . 126 GLU CG . 11109 1 1519 . 1 1 126 126 GLU N N 15 121.737 0.300 . 1 . . . . 126 GLU N . 11109 1 1520 . 1 1 127 127 LEU H H 1 8.227 0.030 . 1 . . . . 127 LEU H . 11109 1 1521 . 1 1 127 127 LEU HA H 1 4.384 0.030 . 1 . . . . 127 LEU HA . 11109 1 1522 . 1 1 127 127 LEU HB2 H 1 1.704 0.030 . 2 . . . . 127 LEU HB2 . 11109 1 1523 . 1 1 127 127 LEU HB3 H 1 1.613 0.030 . 2 . . . . 127 LEU HB3 . 11109 1 1524 . 1 1 127 127 LEU HD11 H 1 0.916 0.030 . 1 . . . . 127 LEU HD1 . 11109 1 1525 . 1 1 127 127 LEU HD12 H 1 0.916 0.030 . 1 . . . . 127 LEU HD1 . 11109 1 1526 . 1 1 127 127 LEU HD13 H 1 0.916 0.030 . 1 . . . . 127 LEU HD1 . 11109 1 1527 . 1 1 127 127 LEU HD21 H 1 0.871 0.030 . 1 . . . . 127 LEU HD2 . 11109 1 1528 . 1 1 127 127 LEU HD22 H 1 0.871 0.030 . 1 . . . . 127 LEU HD2 . 11109 1 1529 . 1 1 127 127 LEU HD23 H 1 0.871 0.030 . 1 . . . . 127 LEU HD2 . 11109 1 1530 . 1 1 127 127 LEU HG H 1 1.610 0.030 . 1 . . . . 127 LEU HG . 11109 1 1531 . 1 1 127 127 LEU C C 13 177.497 0.300 . 1 . . . . 127 LEU C . 11109 1 1532 . 1 1 127 127 LEU CA C 13 55.335 0.300 . 1 . . . . 127 LEU CA . 11109 1 1533 . 1 1 127 127 LEU CB C 13 42.319 0.300 . 1 . . . . 127 LEU CB . 11109 1 1534 . 1 1 127 127 LEU CD1 C 13 25.100 0.300 . 2 . . . . 127 LEU CD1 . 11109 1 1535 . 1 1 127 127 LEU CD2 C 13 23.250 0.300 . 2 . . . . 127 LEU CD2 . 11109 1 1536 . 1 1 127 127 LEU CG C 13 26.998 0.300 . 1 . . . . 127 LEU CG . 11109 1 1537 . 1 1 127 127 LEU N N 15 122.693 0.300 . 1 . . . . 127 LEU N . 11109 1 1538 . 1 1 128 128 SER H H 1 8.220 0.030 . 1 . . . . 128 SER H . 11109 1 1539 . 1 1 128 128 SER HA H 1 4.506 0.030 . 1 . . . . 128 SER HA . 11109 1 1540 . 1 1 128 128 SER HB2 H 1 3.894 0.030 . 2 . . . . 128 SER HB2 . 11109 1 1541 . 1 1 128 128 SER C C 13 174.533 0.300 . 1 . . . . 128 SER C . 11109 1 1542 . 1 1 128 128 SER CA C 13 58.404 0.300 . 1 . . . . 128 SER CA . 11109 1 1543 . 1 1 128 128 SER CB C 13 63.987 0.300 . 1 . . . . 128 SER CB . 11109 1 1544 . 1 1 128 128 SER N N 15 116.037 0.300 . 1 . . . . 128 SER N . 11109 1 1545 . 1 1 129 129 GLY H H 1 8.173 0.030 . 1 . . . . 129 GLY H . 11109 1 1546 . 1 1 129 129 GLY C C 13 171.807 0.300 . 1 . . . . 129 GLY C . 11109 1 1547 . 1 1 129 129 GLY CA C 13 44.746 0.300 . 1 . . . . 129 GLY CA . 11109 1 1548 . 1 1 129 129 GLY N N 15 110.606 0.300 . 1 . . . . 129 GLY N . 11109 1 1549 . 1 1 130 130 PRO HA H 1 4.488 0.030 . 1 . . . . 130 PRO HA . 11109 1 1550 . 1 1 130 130 PRO HB2 H 1 2.307 0.030 . 2 . . . . 130 PRO HB2 . 11109 1 1551 . 1 1 130 130 PRO HD2 H 1 3.633 0.030 . 2 . . . . 130 PRO HD2 . 11109 1 1552 . 1 1 130 130 PRO HG2 H 1 2.009 0.030 . 2 . . . . 130 PRO HG2 . 11109 1 1553 . 1 1 130 130 PRO CA C 13 63.259 0.300 . 1 . . . . 130 PRO CA . 11109 1 1554 . 1 1 130 130 PRO CB C 13 32.212 0.300 . 1 . . . . 130 PRO CB . 11109 1 1555 . 1 1 130 130 PRO CD C 13 49.669 0.300 . 1 . . . . 130 PRO CD . 11109 1 1556 . 1 1 130 130 PRO CG C 13 27.305 0.300 . 1 . . . . 130 PRO CG . 11109 1 stop_ save_