data_18404 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18404 _Entry.Title ; Solution Structure of the Target Recognition Domain of Zoocin A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-17 _Entry.Accession_date 2012-04-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Russell Timkovich . . . 18404 2 Yinghua Chen . . . 18404 3 Robin Simmonds . S. . 18404 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18404 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID specificity . 18404 'target recognition domain' . 18404 TRD . 18404 zoocin . 18404 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18404 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 501 18404 '15N chemical shifts' 141 18404 '1H chemical shifts' 763 18404 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 2 . . 2013-03-11 2012-04-17 update BMRB 'update entry citation' 18404 1 . . 2012-04-12 2012-04-17 original author 'original release' 18404 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LS0 'BMRB Entry Tracking System' 18404 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18404 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23184858 _Citation.Full_citation . _Citation.Title 'Solution structure of the recombinant target recognition domain of zoocin A.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 81 _Citation.Journal_issue 4 _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 722 _Citation.Page_last 727 _Citation.Year 2013 _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 Yinghua Chen . . . 18404 1 2 Robin Simmonds . S. . 18404 1 3 John Young . K. . 18404 1 4 Russell Timkovich . . . 18404 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18404 _Assembly.ID 1 _Assembly.Name 'Target Recognition Domain of Zoocin A' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Target Recognition Domain of Zoocin A' 1 $Target_ZooA A . yes native no no . . . 18404 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Target_ZooA _Entity.Sf_category entity _Entity.Sf_framecode Target_ZooA _Entity.Entry_ID 18404 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Target Recognition Domain of Zoocin A' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID 1 _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRGSHHHHHHGSEPTTPTTN LKIYKVDDLQKINGIWQVRN NILVPTDFTWVDNGIAADDV IEVTSNGTRTSDQVLQKGGY FVINPNNVKSVGTPMKGSGG LSWAQVNFTTGGNVWLNTTS KDNLLYGK ; _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14089.776 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LS0 . "Solution Structure Of The Target Recognition Domain Of Zoocin A" . . . . . 100.00 128 100.00 100.00 1.80e-86 . . . . 18404 1 2 no GB AAC46072 . "zoocin A endopeptidase [Streptococcus equi subsp. zooepidemicus]" . . . . . 91.41 285 99.15 100.00 6.03e-74 . . . . 18404 1 3 no GB ACF59750 . "zoocin A endopeptidase [Streptococcus equi subsp. zooepidemicus]" . . . . . 91.41 285 99.15 100.00 6.03e-74 . . . . 18404 1 4 no GB KIS11991 . "M24/M37 family peptidase [Streptococcus equi subsp. zooepidemicus SzAM60]" . . . . . 91.41 285 99.15 100.00 6.03e-74 . . . . 18404 1 5 no REF WP_043039484 . "zoocin A [Streptococcus equi]" . . . . . 91.41 285 99.15 100.00 6.03e-74 . . . . 18404 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 . MET . 18404 1 2 . ARG . 18404 1 3 . GLY . 18404 1 4 . SER . 18404 1 5 . HIS . 18404 1 6 . HIS . 18404 1 7 . HIS . 18404 1 8 . HIS . 18404 1 9 . HIS . 18404 1 10 . HIS . 18404 1 11 . GLY . 18404 1 12 . SER . 18404 1 13 . GLU . 18404 1 14 . PRO . 18404 1 15 . THR . 18404 1 16 . THR . 18404 1 17 . PRO . 18404 1 18 . THR . 18404 1 19 . THR . 18404 1 20 . ASN . 18404 1 21 . LEU . 18404 1 22 . LYS . 18404 1 23 . ILE . 18404 1 24 . TYR . 18404 1 25 . LYS . 18404 1 26 . VAL . 18404 1 27 . ASP . 18404 1 28 . ASP . 18404 1 29 . LEU . 18404 1 30 . GLN . 18404 1 31 . LYS . 18404 1 32 . ILE . 18404 1 33 . ASN . 18404 1 34 . GLY . 18404 1 35 . ILE . 18404 1 36 . TRP . 18404 1 37 . GLN . 18404 1 38 . VAL . 18404 1 39 . ARG . 18404 1 40 . ASN . 18404 1 41 . ASN . 18404 1 42 . ILE . 18404 1 43 . LEU . 18404 1 44 . VAL . 18404 1 45 . PRO . 18404 1 46 . THR . 18404 1 47 . ASP . 18404 1 48 . PHE . 18404 1 49 . THR . 18404 1 50 . TRP . 18404 1 51 . VAL . 18404 1 52 . ASP . 18404 1 53 . ASN . 18404 1 54 . GLY . 18404 1 55 . ILE . 18404 1 56 . ALA . 18404 1 57 . ALA . 18404 1 58 . ASP . 18404 1 59 . ASP . 18404 1 60 . VAL . 18404 1 61 . ILE . 18404 1 62 . GLU . 18404 1 63 . VAL . 18404 1 64 . THR . 18404 1 65 . SER . 18404 1 66 . ASN . 18404 1 67 . GLY . 18404 1 68 . THR . 18404 1 69 . ARG . 18404 1 70 . THR . 18404 1 71 . SER . 18404 1 72 . ASP . 18404 1 73 . GLN . 18404 1 74 . VAL . 18404 1 75 . LEU . 18404 1 76 . GLN . 18404 1 77 . LYS . 18404 1 78 . GLY . 18404 1 79 . GLY . 18404 1 80 . TYR . 18404 1 81 . PHE . 18404 1 82 . VAL . 18404 1 83 . ILE . 18404 1 84 . ASN . 18404 1 85 . PRO . 18404 1 86 . ASN . 18404 1 87 . ASN . 18404 1 88 . VAL . 18404 1 89 . LYS . 18404 1 90 . SER . 18404 1 91 . VAL . 18404 1 92 . GLY . 18404 1 93 . THR . 18404 1 94 . PRO . 18404 1 95 . MET . 18404 1 96 . LYS . 18404 1 97 . GLY . 18404 1 98 . SER . 18404 1 99 . GLY . 18404 1 100 . GLY . 18404 1 101 . LEU . 18404 1 102 . SER . 18404 1 103 . TRP . 18404 1 104 . ALA . 18404 1 105 . GLN . 18404 1 106 . VAL . 18404 1 107 . ASN . 18404 1 108 . PHE . 18404 1 109 . THR . 18404 1 110 . THR . 18404 1 111 . GLY . 18404 1 112 . GLY . 18404 1 113 . ASN . 18404 1 114 . VAL . 18404 1 115 . TRP . 18404 1 116 . LEU . 18404 1 117 . ASN . 18404 1 118 . THR . 18404 1 119 . THR . 18404 1 120 . SER . 18404 1 121 . LYS . 18404 1 122 . ASP . 18404 1 123 . ASN . 18404 1 124 . LEU . 18404 1 125 . LEU . 18404 1 126 . TYR . 18404 1 127 . GLY . 18404 1 128 . LYS . 18404 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 . MET 1 1 18404 1 . ARG 2 2 18404 1 . GLY 3 3 18404 1 . SER 4 4 18404 1 . HIS 5 5 18404 1 . HIS 6 6 18404 1 . HIS 7 7 18404 1 . HIS 8 8 18404 1 . HIS 9 9 18404 1 . HIS 10 10 18404 1 . GLY 11 11 18404 1 . SER 12 12 18404 1 . GLU 13 13 18404 1 . PRO 14 14 18404 1 . THR 15 15 18404 1 . THR 16 16 18404 1 . PRO 17 17 18404 1 . THR 18 18 18404 1 . THR 19 19 18404 1 . ASN 20 20 18404 1 . LEU 21 21 18404 1 . LYS 22 22 18404 1 . ILE 23 23 18404 1 . TYR 24 24 18404 1 . LYS 25 25 18404 1 . VAL 26 26 18404 1 . ASP 27 27 18404 1 . ASP 28 28 18404 1 . LEU 29 29 18404 1 . GLN 30 30 18404 1 . LYS 31 31 18404 1 . ILE 32 32 18404 1 . ASN 33 33 18404 1 . GLY 34 34 18404 1 . ILE 35 35 18404 1 . TRP 36 36 18404 1 . GLN 37 37 18404 1 . VAL 38 38 18404 1 . ARG 39 39 18404 1 . ASN 40 40 18404 1 . ASN 41 41 18404 1 . ILE 42 42 18404 1 . LEU 43 43 18404 1 . VAL 44 44 18404 1 . PRO 45 45 18404 1 . THR 46 46 18404 1 . ASP 47 47 18404 1 . PHE 48 48 18404 1 . THR 49 49 18404 1 . TRP 50 50 18404 1 . VAL 51 51 18404 1 . ASP 52 52 18404 1 . ASN 53 53 18404 1 . GLY 54 54 18404 1 . ILE 55 55 18404 1 . ALA 56 56 18404 1 . ALA 57 57 18404 1 . ASP 58 58 18404 1 . ASP 59 59 18404 1 . VAL 60 60 18404 1 . ILE 61 61 18404 1 . GLU 62 62 18404 1 . VAL 63 63 18404 1 . THR 64 64 18404 1 . SER 65 65 18404 1 . ASN 66 66 18404 1 . GLY 67 67 18404 1 . THR 68 68 18404 1 . ARG 69 69 18404 1 . THR 70 70 18404 1 . SER 71 71 18404 1 . ASP 72 72 18404 1 . GLN 73 73 18404 1 . VAL 74 74 18404 1 . LEU 75 75 18404 1 . GLN 76 76 18404 1 . LYS 77 77 18404 1 . GLY 78 78 18404 1 . GLY 79 79 18404 1 . TYR 80 80 18404 1 . PHE 81 81 18404 1 . VAL 82 82 18404 1 . ILE 83 83 18404 1 . ASN 84 84 18404 1 . PRO 85 85 18404 1 . ASN 86 86 18404 1 . ASN 87 87 18404 1 . VAL 88 88 18404 1 . LYS 89 89 18404 1 . SER 90 90 18404 1 . VAL 91 91 18404 1 . GLY 92 92 18404 1 . THR 93 93 18404 1 . PRO 94 94 18404 1 . MET 95 95 18404 1 . LYS 96 96 18404 1 . GLY 97 97 18404 1 . SER 98 98 18404 1 . GLY 99 99 18404 1 . GLY 100 100 18404 1 . LEU 101 101 18404 1 . SER 102 102 18404 1 . TRP 103 103 18404 1 . ALA 104 104 18404 1 . GLN 105 105 18404 1 . VAL 106 106 18404 1 . ASN 107 107 18404 1 . PHE 108 108 18404 1 . THR 109 109 18404 1 . THR 110 110 18404 1 . GLY 111 111 18404 1 . GLY 112 112 18404 1 . ASN 113 113 18404 1 . VAL 114 114 18404 1 . TRP 115 115 18404 1 . LEU 116 116 18404 1 . ASN 117 117 18404 1 . THR 118 118 18404 1 . THR 119 119 18404 1 . SER 120 120 18404 1 . LYS 121 121 18404 1 . ASP 122 122 18404 1 . ASN 123 123 18404 1 . LEU 124 124 18404 1 . LEU 125 125 18404 1 . TYR 126 126 18404 1 . GLY 127 127 18404 1 . LYS 128 128 18404 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 18404 _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 $Target_ZooA . 40041 organism . 'Streptococcus equi subspecies zooepidemicus 4881' 'Streptococcus equi subspecies zooepidemicus 4881' . . Bacteria Streptococcus equi 4881 . . . . . . . . . . . . . . . . . . . . . 18404 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 18404 _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 $Target_ZooA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pQE80L+384bp insert containing TRD' . . . . . . 18404 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18404 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.0' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Target Recognition Domain of Zoocin A' '[U-95% 13C; U-90% 15N]' . . 1 $Target_ZooA . . 2.4 . . mM 0.1 . . . 18404 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 18404 1 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . mM 0.01 . . . 18404 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18404 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18404 1 stop_ save_ save_multiple _Sample.Sf_category sample _Sample.Sf_framecode multiple _Sample.Entry_ID 18404 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'multiple samples of N-15 enriched protein were employed in this study at pH values ranging from 5.6 to 7.0.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Target Recognition Domain of Zoocin A' '[U-90% 15N]' . . 1 $Target_ZooA . . . 0.7 1.4 mM . . . . 18404 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18404 2 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . mM . . . . 18404 2 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18404 2 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18404 2 stop_ save_ save_unlabeled _Sample.Sf_category sample _Sample.Sf_framecode unlabeled _Sample.Entry_ID 18404 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Target Recognition Domain of Zoocin A' 'natural abundance' . . 1 $Target_ZooA . . . 0.7 1.4 mM . . . . 18404 3 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18404 3 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . mM . . . . 18404 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18404 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18404 3 stop_ save_ save_exchange_samples _Sample.Sf_category sample _Sample.Sf_framecode exchange_samples _Sample.Entry_ID 18404 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '99.8% 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 'Target Recognition Domain of Zoocin A' 'natural abundance' . . 1 $Target_ZooA . . . 0.7 1.4 mM . . . . 18404 4 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18404 4 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . mM . . . . 18404 4 4 D2O 'natural abundance' . . . . . . 99.8 . . % . . . . 18404 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18404 _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' 0.02 . M 18404 1 pH 7.0 0.1 pH 18404 1 pressure 1 . atm 18404 1 temperature 297 2 K 18404 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18404 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18404 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18404 1 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 18404 _Software.ID 2 _Software.Name CNSSOLVE _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18404 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18404 2 'structure solution' 18404 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18404 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18404 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18404 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18404 _Software.ID 4 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18404 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18404 4 'peak picking' 18404 4 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 18404 _Software.ID 5 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 18404 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 18404 5 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18404 _Software.ID 6 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18404 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18404 6 'peak picking' 18404 6 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18404 _Software.ID 7 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18404 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18404 7 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18404 _Software.ID 8 _Software.Name ARIA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18404 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18404 8 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 18404 _Software.ID 9 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 18404 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'quality checking' 18404 9 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18404 _Software.ID 10 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18404 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'diheral determination' 18404 10 stop_ save_ save_PyMOL _Software.Sf_category software _Software.Sf_framecode PyMOL _Software.Entry_ID 18404 _Software.ID 11 _Software.Name PyMol _Software.Version 1.5.0.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schrodinger, LLC' . . 18404 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'molecular graphics' 18404 11 stop_ save_ save_DeepView-Swiss_-PDBViewer _Software.Sf_category software _Software.Sf_framecode DeepView-Swiss_-PDBViewer _Software.Entry_ID 18404 _Software.ID 12 _Software.Name DeepView-Swiss_-PDBViewer _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guex, Peitsch, Schwede, and Diemand' . . 18404 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'molecular graphics' 18404 12 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 18404 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'triple resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 18404 _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 . 600 'triple resonance probe' . . 18404 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 18404 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $multiple isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18404 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18404 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $unlabeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18404 1 4 '2D DQF-COSY' no . . . . . . . . . . 3 $unlabeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18404 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18404 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18404 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18404 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18404 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18404 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18404 1 11 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18404 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18404 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $multiple isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18404 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18404 1 15 '3D CCC-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18404 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18404 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 0.00 na indirect 0.251449530 . . . . . . . . . 18404 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18404 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18404 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18404 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 5 '3D HNCO' . . . 18404 1 7 '3D HNCACB' . . . 18404 1 12 '3D 1H-15N NOESY' . . . 18404 1 14 '3D 1H-13C NOESY' . . . 18404 1 15 '3D CCC-TOCSY' . . . 18404 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.80 0.03 . 1 . . . 1 1 MET HA . 18404 1 2 . 1 1 1 1 MET HB2 H 1 1.96 0.03 . 2 . . . 1 1 MET HB2 . 18404 1 3 . 1 1 1 1 MET HB3 H 1 1.86 0.03 . 2 . . . 1 1 MET HB3 . 18404 1 4 . 1 1 1 1 MET HG2 H 1 2.25 0.03 . 2 . . . 1 1 MET HG2 . 18404 1 5 . 1 1 1 1 MET CA C 13 55.80 0.5 . 1 . . . 1 1 MET CA . 18404 1 6 . 1 1 1 1 MET CB C 13 32.82 0.5 . 1 . . . 1 1 MET CB . 18404 1 7 . 1 1 1 1 MET CG C 13 31.20 0.5 . 1 . . . 1 1 MET CG . 18404 1 8 . 1 1 2 2 ARG HA H 1 4.57 0.03 . 1 . . . 1 2 ARG HA . 18404 1 9 . 1 1 2 2 ARG HB2 H 1 1.67 0.03 . 2 . . . 1 2 ARG HB2 . 18404 1 10 . 1 1 2 2 ARG HB3 H 1 1.75 0.03 . 2 . . . 1 2 ARG HB3 . 18404 1 11 . 1 1 2 2 ARG HG2 H 1 1.51 0.03 . 2 . . . 1 2 ARG HG2 . 18404 1 12 . 1 1 2 2 ARG HD2 H 1 3.07 0.03 . 2 . . . 1 2 ARG HD2 . 18404 1 13 . 1 1 2 2 ARG HE H 1 7.90 0.03 . 1 . . . 1 2 ARG HE . 18404 1 14 . 1 1 2 2 ARG C C 13 175.84 0.1 . 1 . . . 1 2 ARG C . 18404 1 15 . 1 1 2 2 ARG CA C 13 56.49 0.5 . 1 . . . 1 2 ARG CA . 18404 1 16 . 1 1 2 2 ARG CB C 13 31.02 0.5 . 1 . . . 1 2 ARG CB . 18404 1 17 . 1 1 2 2 ARG CG C 13 23.46 0.5 . 1 . . . 1 2 ARG CG . 18404 1 18 . 1 1 3 3 GLY H H 1 8.40 0.03 . 1 . . . 1 3 GLY H . 18404 1 19 . 1 1 3 3 GLY HA2 H 1 3.95 0.03 . 2 . . . 1 3 GLY HA2 . 18404 1 20 . 1 1 3 3 GLY HA3 H 1 3.83 0.03 . 2 . . . 1 3 GLY HA3 . 18404 1 21 . 1 1 3 3 GLY C C 13 174.00 0.1 . 1 . . . 1 3 GLY C . 18404 1 22 . 1 1 3 3 GLY CA C 13 45.31 0.5 . 1 . . . 1 3 GLY CA . 18404 1 23 . 1 1 3 3 GLY N N 15 110.53 0.25 . 1 . . . 1 3 GLY N . 18404 1 24 . 1 1 4 4 SER H H 1 8.24 0.03 . 1 . . . 1 4 SER H . 18404 1 25 . 1 1 4 4 SER HA H 1 4.47 0.03 . 1 . . . 1 4 SER HA . 18404 1 26 . 1 1 4 4 SER HB2 H 1 3.84 0.03 . 2 . . . 1 4 SER HB2 . 18404 1 27 . 1 1 4 4 SER C C 13 174.19 0.1 . 1 . . . 1 4 SER C . 18404 1 28 . 1 1 4 4 SER CA C 13 58.36 0.5 . 1 . . . 1 4 SER CA . 18404 1 29 . 1 1 4 4 SER CB C 13 63.59 0.5 . 1 . . . 1 4 SER CB . 18404 1 30 . 1 1 4 4 SER N N 15 115.58 0.25 . 1 . . . 1 4 SER N . 18404 1 31 . 1 1 5 5 HIS H H 1 8.45 0.03 . 1 . . . 1 5 HIS H . 18404 1 32 . 1 1 5 5 HIS HA H 1 4.54 0.03 . 1 . . . 1 5 HIS HA . 18404 1 33 . 1 1 5 5 HIS HB2 H 1 2.02 0.03 . 2 . . . 1 5 HIS HB2 . 18404 1 34 . 1 1 5 5 HIS HB3 H 1 1.98 0.03 . 2 . . . 1 5 HIS HB3 . 18404 1 35 . 1 1 5 5 HIS C C 13 174.71 0.1 . 1 . . . 1 5 HIS C . 18404 1 36 . 1 1 5 5 HIS CA C 13 54.66 0.5 . 1 . . . 1 5 HIS CA . 18404 1 37 . 1 1 5 5 HIS CB C 13 29.55 0.5 . 1 . . . 1 5 HIS CB . 18404 1 38 . 1 1 5 5 HIS N N 15 123.78 0.25 . 1 . . . 1 5 HIS N . 18404 1 39 . 1 1 6 6 HIS H H 1 8.13 0.03 . 1 . . . 1 6 HIS H . 18404 1 40 . 1 1 6 6 HIS HA H 1 4.57 0.03 . 1 . . . 1 6 HIS HA . 18404 1 41 . 1 1 6 6 HIS HB2 H 1 2.27 0.03 . 2 . . . 1 6 HIS HB2 . 18404 1 42 . 1 1 6 6 HIS HB3 H 1 1.88 0.03 . 2 . . . 1 6 HIS HB3 . 18404 1 43 . 1 1 6 6 HIS C C 13 172.65 0.1 . 1 . . . 1 6 HIS C . 18404 1 44 . 1 1 6 6 HIS CA C 13 55.41 0.5 . 1 . . . 1 6 HIS CA . 18404 1 45 . 1 1 6 6 HIS CB C 13 30.95 0.5 . 1 . . . 1 6 HIS CB . 18404 1 46 . 1 1 6 6 HIS N N 15 119.89 0.25 . 1 . . . 1 6 HIS N . 18404 1 47 . 1 1 7 7 HIS H H 1 8.57 0.03 . 5 . . . 1 7 HIS H . 18404 1 48 . 1 1 7 7 HIS HA H 1 4.04 0.03 . 5 . . . 1 7 HIS HA . 18404 1 49 . 1 1 7 7 HIS CA C 13 59.23 0.5 . 5 . . . 1 7 HIS CA . 18404 1 50 . 1 1 7 7 HIS CB C 13 38.45 0.5 . 5 . . . 1 7 HIS CB . 18404 1 51 . 1 1 7 7 HIS N N 15 128.89 0.25 . 5 . . . 1 7 HIS N . 18404 1 52 . 1 1 8 8 HIS H H 1 7.94 0.03 . 5 . . . 1 8 HIS H . 18404 1 53 . 1 1 8 8 HIS HA H 1 4.42 0.03 . 5 . . . 1 8 HIS HA . 18404 1 54 . 1 1 8 8 HIS HB2 H 1 1.28 0.03 . 5 . . . 1 8 HIS HB2 . 18404 1 55 . 1 1 8 8 HIS CA C 13 54.12 0.5 . 5 . . . 1 8 HIS CA . 18404 1 56 . 1 1 8 8 HIS CB C 13 43.24 0.5 . 5 . . . 1 8 HIS CB . 18404 1 57 . 1 1 8 8 HIS N N 15 130.46 0.25 . 5 . . . 1 8 HIS N . 18404 1 58 . 1 1 9 9 HIS H H 1 8.83 0.03 . 5 . . . 1 9 HIS H . 18404 1 59 . 1 1 9 9 HIS CA C 13 58.06 0.5 . 5 . . . 1 9 HIS CA . 18404 1 60 . 1 1 9 9 HIS CB C 13 29.56 0.5 . 5 . . . 1 9 HIS CB . 18404 1 61 . 1 1 10 10 HIS H H 1 8.48 0.03 . 5 . . . 1 10 HIS H . 18404 1 62 . 1 1 10 10 HIS HA H 1 3.80 0.03 . 5 . . . 1 10 HIS HA . 18404 1 63 . 1 1 10 10 HIS CB C 13 26.50 0.5 . 5 . . . 1 10 HIS CB . 18404 1 64 . 1 1 10 10 HIS N N 15 123.95 0.25 . 1 . . . 1 10 HIS N . 18404 1 65 . 1 1 11 11 GLY H H 1 8.33 0.03 . 1 . . . 1 11 GLY H . 18404 1 66 . 1 1 11 11 GLY HA2 H 1 4.30 0.03 . 2 . . . 1 11 GLY HA2 . 18404 1 67 . 1 1 11 11 GLY CA C 13 43.19 0.05 . 1 . . . 1 11 GLY CA . 18404 1 68 . 1 1 11 11 GLY N N 15 109.90 0.25 . 1 . . . 1 11 GLY N . 18404 1 69 . 1 1 12 12 SER H H 1 7.37 0.03 . 1 . . . 1 12 SER H . 18404 1 70 . 1 1 12 12 SER HA H 1 4.45 0.03 . 1 . . . 1 12 SER HA . 18404 1 71 . 1 1 12 12 SER HB2 H 1 3.80 0.03 . 2 . . . 1 12 SER HB2 . 18404 1 72 . 1 1 12 12 SER C C 13 173.40 0.1 . 1 . . . 1 12 SER C . 18404 1 73 . 1 1 12 12 SER CA C 13 58.42 0.5 . 1 . . . 1 12 SER CA . 18404 1 74 . 1 1 12 12 SER CB C 13 64.01 0.5 . 1 . . . 1 12 SER CB . 18404 1 75 . 1 1 12 12 SER N N 15 107.11 0.25 . 1 . . . 1 12 SER N . 18404 1 76 . 1 1 13 13 GLU H H 1 8.17 0.03 . 1 . . . 1 13 GLU H . 18404 1 77 . 1 1 13 13 GLU HA H 1 4.39 0.03 . 1 . . . 1 13 GLU HA . 18404 1 78 . 1 1 13 13 GLU HB2 H 1 2.27 0.03 . 2 . . . 1 13 GLU HB2 . 18404 1 79 . 1 1 13 13 GLU HB3 H 1 1.95 0.03 . 2 . . . 1 13 GLU HB3 . 18404 1 80 . 1 1 13 13 GLU C C 13 176.31 0.1 . 1 . . . 1 13 GLU C . 18404 1 81 . 1 1 13 13 GLU CA C 13 54.24 0.5 . 1 . . . 1 13 GLU CA . 18404 1 82 . 1 1 13 13 GLU CB C 13 30.67 0.5 . 1 . . . 1 13 GLU CB . 18404 1 83 . 1 1 13 13 GLU N N 15 121.58 0.25 . 1 . . . 1 13 GLU N . 18404 1 84 . 1 1 14 14 PRO HA H 1 4.45 0.03 . 1 . . . 1 14 PRO HA . 18404 1 85 . 1 1 14 14 PRO HB2 H 1 2.30 0.03 . 2 . . . 1 14 PRO HB2 . 18404 1 86 . 1 1 14 14 PRO HB3 H 1 1.95 0.03 . 2 . . . 1 14 PRO HB3 . 18404 1 87 . 1 1 14 14 PRO HG2 H 1 1.98 0.03 . 2 . . . 1 14 PRO HG2 . 18404 1 88 . 1 1 14 14 PRO HD2 H 1 3.92 0.03 . 2 . . . 1 14 PRO HD2 . 18404 1 89 . 1 1 14 14 PRO HD3 H 1 3.75 0.03 . 2 . . . 1 14 PRO HD3 . 18404 1 90 . 1 1 14 14 PRO C C 13 177.02 0.1 . 1 . . . 1 14 PRO C . 18404 1 91 . 1 1 14 14 PRO CA C 13 63.15 0.5 . 1 . . . 1 14 PRO CA . 18404 1 92 . 1 1 14 14 PRO CB C 13 32.21 0.5 . 1 . . . 1 14 PRO CB . 18404 1 93 . 1 1 14 14 PRO CG C 13 27.56 0.5 . 1 . . . 1 14 PRO CG . 18404 1 94 . 1 1 14 14 PRO CD C 13 50.75 0.5 . 1 . . . 1 14 PRO CD . 18404 1 95 . 1 1 15 15 THR H H 1 8.23 0.03 . 1 . . . 1 15 THR H . 18404 1 96 . 1 1 15 15 THR HA H 1 4.35 0.03 . 1 . . . 1 15 THR HA . 18404 1 97 . 1 1 15 15 THR HB H 1 4.17 0.03 . 1 . . . 1 15 THR HB . 18404 1 98 . 1 1 15 15 THR HG21 H 1 1.17 0.03 . 5 . . . 1 15 THR HG21 . 18404 1 99 . 1 1 15 15 THR HG22 H 1 1.17 0.03 . 5 . . . 1 15 THR HG22 . 18404 1 100 . 1 1 15 15 THR HG23 H 1 1.17 0.03 . 5 . . . 1 15 THR HG23 . 18404 1 101 . 1 1 15 15 THR C C 13 174.55 0.1 . 1 . . . 1 15 THR C . 18404 1 102 . 1 1 15 15 THR CA C 13 62.28 0.5 . 1 . . . 1 15 THR CA . 18404 1 103 . 1 1 15 15 THR CB C 13 70.20 0.5 . 1 . . . 1 15 THR CB . 18404 1 104 . 1 1 15 15 THR N N 15 114.11 0.25 . 1 . . . 1 15 THR N . 18404 1 105 . 1 1 16 16 THR H H 1 8.15 0.03 . 1 . . . 1 16 THR H . 18404 1 106 . 1 1 16 16 THR HA H 1 4.59 0.03 . 1 . . . 1 16 THR HA . 18404 1 107 . 1 1 16 16 THR HB H 1 4.07 0.03 . 1 . . . 1 16 THR HB . 18404 1 108 . 1 1 16 16 THR HG21 H 1 1.26 0.03 . 1 . . . 1 16 THR HG21 . 18404 1 109 . 1 1 16 16 THR HG22 H 1 1.26 0.03 . 1 . . . 1 16 THR HG22 . 18404 1 110 . 1 1 16 16 THR HG23 H 1 1.26 0.03 . 1 . . . 1 16 THR HG23 . 18404 1 111 . 1 1 16 16 THR C C 13 172.65 0.1 . 1 . . . 1 16 THR C . 18404 1 112 . 1 1 16 16 THR CA C 13 60.21 0.5 . 1 . . . 1 16 THR CA . 18404 1 113 . 1 1 16 16 THR CB C 13 69.98 0.5 . 1 . . . 1 16 THR CB . 18404 1 114 . 1 1 16 16 THR N N 15 119.46 0.25 . 1 . . . 1 16 THR N . 18404 1 115 . 1 1 17 17 PRO HA H 1 4.54 0.03 . 1 . . . 1 17 PRO HA . 18404 1 116 . 1 1 17 17 PRO HB2 H 1 1.99 0.03 . 2 . . . 1 17 PRO HB2 . 18404 1 117 . 1 1 17 17 PRO HB3 H 1 2.35 0.03 . 2 . . . 1 17 PRO HB3 . 18404 1 118 . 1 1 17 17 PRO HG2 H 1 2.08 0.03 . 2 . . . 1 17 PRO HG2 . 18404 1 119 . 1 1 17 17 PRO HD2 H 1 3.91 0.03 . 2 . . . 1 17 PRO HD2 . 18404 1 120 . 1 1 17 17 PRO HD3 H 1 3.79 0.03 . 2 . . . 1 17 PRO HD3 . 18404 1 121 . 1 1 17 17 PRO CA C 13 63.10 0.5 . 1 . . . 1 17 PRO CA . 18404 1 122 . 1 1 17 17 PRO CB C 13 32.44 0.5 . 1 . . . 1 17 PRO CB . 18404 1 123 . 1 1 17 17 PRO CG C 13 27.54 0.5 . 1 . . . 1 17 PRO CG . 18404 1 124 . 1 1 17 17 PRO CD C 13 51.27 0.5 . 1 . . . 1 17 PRO CD . 18404 1 125 . 1 1 18 18 THR H H 1 8.42 0.03 . 1 . . . 1 18 THR H . 18404 1 126 . 1 1 18 18 THR HA H 1 4.35 0.03 . 1 . . . 1 18 THR HA . 18404 1 127 . 1 1 18 18 THR HB H 1 3.13 0.03 . 1 . . . 1 18 THR HB . 18404 1 128 . 1 1 18 18 THR HG21 H 1 1.34 0.03 . 1 . . . 1 18 THR HG21 . 18404 1 129 . 1 1 18 18 THR HG22 H 1 1.34 0.03 . 1 . . . 1 18 THR HG22 . 18404 1 130 . 1 1 18 18 THR HG23 H 1 1.34 0.03 . 1 . . . 1 18 THR HG23 . 18404 1 131 . 1 1 18 18 THR C C 13 174.90 0.1 . 1 . . . 1 18 THR C . 18404 1 132 . 1 1 18 18 THR CA C 13 62.01 0.5 . 1 . . . 1 18 THR CA . 18404 1 133 . 1 1 18 18 THR CB C 13 69.67 0.5 . 1 . . . 1 18 THR CB . 18404 1 134 . 1 1 18 18 THR N N 15 112.34 0.25 . 1 . . . 1 18 THR N . 18404 1 135 . 1 1 19 19 THR H H 1 7.69 0.03 . 1 . . . 1 19 THR H . 18404 1 136 . 1 1 19 19 THR HA H 1 4.09 0.03 . 1 . . . 1 19 THR HA . 18404 1 137 . 1 1 19 19 THR HB H 1 4.09 0.03 . 4 . . . 1 19 THR HB . 18404 1 138 . 1 1 19 19 THR HG21 H 1 1.13 0.03 . 1 . . . 1 19 THR HG21 . 18404 1 139 . 1 1 19 19 THR HG22 H 1 1.13 0.03 . 1 . . . 1 19 THR HG22 . 18404 1 140 . 1 1 19 19 THR HG23 H 1 1.13 0.03 . 1 . . . 1 19 THR HG23 . 18404 1 141 . 1 1 19 19 THR C C 13 173.91 0.1 . 1 . . . 1 19 THR C . 18404 1 142 . 1 1 19 19 THR CA C 13 63.02 0.5 . 1 . . . 1 19 THR CA . 18404 1 143 . 1 1 19 19 THR CB C 13 69.88 0.5 . 1 . . . 1 19 THR CB . 18404 1 144 . 1 1 19 19 THR CG2 C 13 21.65 0.5 . 1 . . . 1 19 THR CG2 . 18404 1 145 . 1 1 19 19 THR N N 15 115.30 0.25 . 1 . . . 1 19 THR N . 18404 1 146 . 1 1 20 20 ASN H H 1 8.57 0.03 . 1 . . . 1 20 ASN H . 18404 1 147 . 1 1 20 20 ASN HA H 1 4.72 0.03 . 1 . . . 1 20 ASN HA . 18404 1 148 . 1 1 20 20 ASN HB2 H 1 2.88 0.03 . 2 . . . 1 20 ASN HB2 . 18404 1 149 . 1 1 20 20 ASN HD21 H 1 7.52 0.03 . 1 . . . 1 20 ASN HD21 . 18404 1 150 . 1 1 20 20 ASN HD22 H 1 6.86 0.03 . 1 . . . 1 20 ASN HD22 . 18404 1 151 . 1 1 20 20 ASN C C 13 175.03 0.1 . 1 . . . 1 20 ASN C . 18404 1 152 . 1 1 20 20 ASN CA C 13 53.51 0.5 . 1 . . . 1 20 ASN CA . 18404 1 153 . 1 1 20 20 ASN CB C 13 38.60 0.5 . 1 . . . 1 20 ASN CB . 18404 1 154 . 1 1 20 20 ASN CG C 13 177.27 0.1 . 1 . . . 1 20 ASN CG . 18404 1 155 . 1 1 20 20 ASN N N 15 120.26 0.25 . 1 . . . 1 20 ASN N . 18404 1 156 . 1 1 20 20 ASN ND2 N 15 112.07 0.25 . 1 . . . 1 20 ASN ND2 . 18404 1 157 . 1 1 21 21 LEU H H 1 7.91 0.03 . 1 . . . 1 21 LEU H . 18404 1 158 . 1 1 21 21 LEU HA H 1 4.36 0.03 . 1 . . . 1 21 LEU HA . 18404 1 159 . 1 1 21 21 LEU HB2 H 1 1.73 0.03 . 2 . . . 1 21 LEU HB2 . 18404 1 160 . 1 1 21 21 LEU HG H 1 1.47 0.03 . 1 . . . 1 21 LEU HG . 18404 1 161 . 1 1 21 21 LEU HD11 H 1 1.10 0.03 . 1 . . . 1 21 LEU HD11 . 18404 1 162 . 1 1 21 21 LEU HD12 H 1 1.10 0.03 . 1 . . . 1 21 LEU HD12 . 18404 1 163 . 1 1 21 21 LEU HD13 H 1 1.10 0.03 . 1 . . . 1 21 LEU HD13 . 18404 1 164 . 1 1 21 21 LEU HD21 H 1 0.84 0.03 . 1 . . . 1 21 LEU HD21 . 18404 1 165 . 1 1 21 21 LEU HD22 H 1 0.84 0.03 . 1 . . . 1 21 LEU HD22 . 18404 1 166 . 1 1 21 21 LEU HD23 H 1 0.84 0.03 . 1 . . . 1 21 LEU HD23 . 18404 1 167 . 1 1 21 21 LEU C C 13 176.75 0.1 . 1 . . . 1 21 LEU C . 18404 1 168 . 1 1 21 21 LEU CA C 13 55.60 0.5 . 1 . . . 1 21 LEU CA . 18404 1 169 . 1 1 21 21 LEU CB C 13 42.16 0.5 . 1 . . . 1 21 LEU CB . 18404 1 170 . 1 1 21 21 LEU CG C 13 27.64 0.5 . 1 . . . 1 21 LEU CG . 18404 1 171 . 1 1 21 21 LEU CD1 C 13 26.05 0.5 . 2 . . . 1 21 LEU CD1 . 18404 1 172 . 1 1 21 21 LEU N N 15 122.51 0.25 . 1 . . . 1 21 LEU N . 18404 1 173 . 1 1 22 22 LYS H H 1 8.79 0.03 . 1 . . . 1 22 LYS H . 18404 1 174 . 1 1 22 22 LYS HA H 1 3.81 0.03 . 1 . . . 1 22 LYS HA . 18404 1 175 . 1 1 22 22 LYS HB2 H 1 0.96 0.03 . 1 . . . 1 22 LYS HB2 . 18404 1 176 . 1 1 22 22 LYS HB3 H 1 1.36 0.03 . 1 . . . 1 22 LYS HB3 . 18404 1 177 . 1 1 22 22 LYS HG2 H 1 0.17 0.03 . 2 . . . 1 22 LYS HG2 . 18404 1 178 . 1 1 22 22 LYS HD2 H 1 0.78 0.03 . 2 . . . 1 22 LYS HD2 . 18404 1 179 . 1 1 22 22 LYS HE2 H 1 2.77 0.03 . 2 . . . 1 22 LYS HE2 . 18404 1 180 . 1 1 22 22 LYS HE3 H 1 2.61 0.03 . 2 . . . 1 22 LYS HE3 . 18404 1 181 . 1 1 22 22 LYS C C 13 173.74 0.1 . 1 . . . 1 22 LYS C . 18404 1 182 . 1 1 22 22 LYS CA C 13 56.60 0.5 . 1 . . . 1 22 LYS CA . 18404 1 183 . 1 1 22 22 LYS CB C 13 32.61 0.5 . 1 . . . 1 22 LYS CB . 18404 1 184 . 1 1 22 22 LYS CG C 13 24.77 0.5 . 1 . . . 1 22 LYS CG . 18404 1 185 . 1 1 22 22 LYS CD C 13 29.76 0.5 . 1 . . . 1 22 LYS CD . 18404 1 186 . 1 1 22 22 LYS CE C 13 42.38 0.5 . 1 . . . 1 22 LYS CE . 18404 1 187 . 1 1 22 22 LYS N N 15 123.61 0.25 . 1 . . . 1 22 LYS N . 18404 1 188 . 1 1 23 23 ILE H H 1 7.66 0.03 . 1 . . . 1 23 ILE H . 18404 1 189 . 1 1 23 23 ILE HA H 1 3.96 0.03 . 1 . . . 1 23 ILE HA . 18404 1 190 . 1 1 23 23 ILE HB H 1 1.33 0.03 . 1 . . . 1 23 ILE HB . 18404 1 191 . 1 1 23 23 ILE HG12 H 1 0.66 0.03 . 2 . . . 1 23 ILE HG12 . 18404 1 192 . 1 1 23 23 ILE HG13 H 1 1.03 0.03 . 2 . . . 1 23 ILE HG13 . 18404 1 193 . 1 1 23 23 ILE HG21 H 1 1.64 0.03 . 1 . . . 1 23 ILE HG21 . 18404 1 194 . 1 1 23 23 ILE HG22 H 1 1.64 0.03 . 1 . . . 1 23 ILE HG22 . 18404 1 195 . 1 1 23 23 ILE HG23 H 1 1.64 0.03 . 1 . . . 1 23 ILE HG23 . 18404 1 196 . 1 1 23 23 ILE HD11 H 1 0.57 0.03 . 1 . . . 1 23 ILE HD11 . 18404 1 197 . 1 1 23 23 ILE HD12 H 1 0.57 0.03 . 1 . . . 1 23 ILE HD12 . 18404 1 198 . 1 1 23 23 ILE HD13 H 1 0.57 0.03 . 1 . . . 1 23 ILE HD13 . 18404 1 199 . 1 1 23 23 ILE C C 13 175.29 0.1 . 1 . . . 1 23 ILE C . 18404 1 200 . 1 1 23 23 ILE CA C 13 61.34 0.5 . 1 . . . 1 23 ILE CA . 18404 1 201 . 1 1 23 23 ILE CB C 13 39.24 0.5 . 1 . . . 1 23 ILE CB . 18404 1 202 . 1 1 23 23 ILE CG1 C 13 28.14 0.5 . 1 . . . 1 23 ILE CG1 . 18404 1 203 . 1 1 23 23 ILE CG2 C 13 19.49 0.5 . 1 . . . 1 23 ILE CG2 . 18404 1 204 . 1 1 23 23 ILE CD1 C 13 14.20 0.5 . 1 . . . 1 23 ILE CD1 . 18404 1 205 . 1 1 23 23 ILE N N 15 124.91 0.25 . 1 . . . 1 23 ILE N . 18404 1 206 . 1 1 24 24 TYR H H 1 9.16 0.03 . 1 . . . 1 24 TYR H . 18404 1 207 . 1 1 24 24 TYR HA H 1 4.41 0.03 . 1 . . . 1 24 TYR HA . 18404 1 208 . 1 1 24 24 TYR HB2 H 1 2.51 0.03 . 1 . . . 1 24 TYR HB2 . 18404 1 209 . 1 1 24 24 TYR HB3 H 1 0.58 0.03 . 1 . . . 1 24 TYR HB3 . 18404 1 210 . 1 1 24 24 TYR HD2 H 1 6.95 0.03 . 4 . . . 1 24 TYR HD2 . 18404 1 211 . 1 1 24 24 TYR HE2 H 1 6.61 0.03 . 4 . . . 1 24 TYR HE2 . 18404 1 212 . 1 1 24 24 TYR C C 13 173.86 0.1 . 1 . . . 1 24 TYR C . 18404 1 213 . 1 1 24 24 TYR CA C 13 56.88 0.5 . 1 . . . 1 24 TYR CA . 18404 1 214 . 1 1 24 24 TYR CB C 13 41.53 0.5 . 1 . . . 1 24 TYR CB . 18404 1 215 . 1 1 24 24 TYR N N 15 129.35 0.25 . 1 . . . 1 24 TYR N . 18404 1 216 . 1 1 25 25 LYS H H 1 8.75 0.03 . 1 . . . 1 25 LYS H . 18404 1 217 . 1 1 25 25 LYS HA H 1 4.53 0.03 . 1 . . . 1 25 LYS HA . 18404 1 218 . 1 1 25 25 LYS HB2 H 1 1.14 0.03 . 2 . . . 1 25 LYS HB2 . 18404 1 219 . 1 1 25 25 LYS C C 13 177.15 0.1 . 1 . . . 1 25 LYS C . 18404 1 220 . 1 1 25 25 LYS CA C 13 55.59 0.5 . 1 . . . 1 25 LYS CA . 18404 1 221 . 1 1 25 25 LYS CB C 13 34.41 0.5 . 1 . . . 1 25 LYS CB . 18404 1 222 . 1 1 25 25 LYS CG C 13 24.98 0.5 . 1 . . . 1 25 LYS CG . 18404 1 223 . 1 1 25 25 LYS CD C 13 29.24 0.5 . 1 . . . 1 25 LYS CD . 18404 1 224 . 1 1 25 25 LYS CE C 13 42.16 0.5 . 1 . . . 1 25 LYS CE . 18404 1 225 . 1 1 25 25 LYS N N 15 120.45 0.25 . 1 . . . 1 25 LYS N . 18404 1 226 . 1 1 26 26 VAL H H 1 8.82 0.03 . 1 . . . 1 26 VAL H . 18404 1 227 . 1 1 26 26 VAL HA H 1 4.07 0.03 . 1 . . . 1 26 VAL HA . 18404 1 228 . 1 1 26 26 VAL HB H 1 2.30 0.03 . 1 . . . 1 26 VAL HB . 18404 1 229 . 1 1 26 26 VAL HG11 H 1 0.79 0.03 . 1 . . . 1 26 VAL HG11 . 18404 1 230 . 1 1 26 26 VAL HG12 H 1 0.79 0.03 . 1 . . . 1 26 VAL HG12 . 18404 1 231 . 1 1 26 26 VAL HG13 H 1 0.79 0.03 . 1 . . . 1 26 VAL HG13 . 18404 1 232 . 1 1 26 26 VAL HG21 H 1 0.94 0.03 . 1 . . . 1 26 VAL HG21 . 18404 1 233 . 1 1 26 26 VAL HG22 H 1 0.94 0.03 . 1 . . . 1 26 VAL HG22 . 18404 1 234 . 1 1 26 26 VAL HG23 H 1 0.94 0.03 . 1 . . . 1 26 VAL HG23 . 18404 1 235 . 1 1 26 26 VAL C C 13 175.10 0.1 . 1 . . . 1 26 VAL C . 18404 1 236 . 1 1 26 26 VAL CA C 13 61.56 0.5 . 1 . . . 1 26 VAL CA . 18404 1 237 . 1 1 26 26 VAL CB C 13 30.31 0.5 . 1 . . . 1 26 VAL CB . 18404 1 238 . 1 1 26 26 VAL CG1 C 13 24.30 0.5 . 1 . . . 1 26 VAL CG1 . 18404 1 239 . 1 1 26 26 VAL CG2 C 13 21.98 0.5 . 1 . . . 1 26 VAL CG2 . 18404 1 240 . 1 1 26 26 VAL N N 15 123.58 0.25 . 1 . . . 1 26 VAL N . 18404 1 241 . 1 1 27 27 ASP H H 1 8.46 0.03 . 1 . . . 1 27 ASP H . 18404 1 242 . 1 1 27 27 ASP HA H 1 4.62 0.03 . 1 . . . 1 27 ASP HA . 18404 1 243 . 1 1 27 27 ASP HB2 H 1 2.23 0.03 . 1 . . . 1 27 ASP HB2 . 18404 1 244 . 1 1 27 27 ASP HB3 H 1 2.41 0.03 . 1 . . . 1 27 ASP HB3 . 18404 1 245 . 1 1 27 27 ASP C C 13 177.13 0.1 . 1 . . . 1 27 ASP C . 18404 1 246 . 1 1 27 27 ASP CA C 13 58.32 0.5 . 1 . . . 1 27 ASP CA . 18404 1 247 . 1 1 27 27 ASP CB C 13 41.76 0.5 . 1 . . . 1 27 ASP CB . 18404 1 248 . 1 1 27 27 ASP N N 15 130.62 0.25 . 1 . . . 1 27 ASP N . 18404 1 249 . 1 1 28 28 ASP H H 1 8.07 0.03 . 1 . . . 1 28 ASP H . 18404 1 250 . 1 1 28 28 ASP HA H 1 4.69 0.03 . 1 . . . 1 28 ASP HA . 18404 1 251 . 1 1 28 28 ASP HB2 H 1 2.55 0.03 . 2 . . . 1 28 ASP HB2 . 18404 1 252 . 1 1 28 28 ASP HB3 H 1 2.82 0.03 . 2 . . . 1 28 ASP HB3 . 18404 1 253 . 1 1 28 28 ASP C C 13 173.04 0.1 . 1 . . . 1 28 ASP C . 18404 1 254 . 1 1 28 28 ASP CA C 13 53.90 0.5 . 1 . . . 1 28 ASP CA . 18404 1 255 . 1 1 28 28 ASP CB C 13 43.55 0.5 . 1 . . . 1 28 ASP CB . 18404 1 256 . 1 1 28 28 ASP N N 15 112.90 0.25 . 1 . . . 1 28 ASP N . 18404 1 257 . 1 1 29 29 LEU H H 1 8.95 0.03 . 1 . . . 1 29 LEU H . 18404 1 258 . 1 1 29 29 LEU HA H 1 5.60 0.03 . 1 . . . 1 29 LEU HA . 18404 1 259 . 1 1 29 29 LEU HB2 H 1 1.16 0.03 . 1 . . . 1 29 LEU HB2 . 18404 1 260 . 1 1 29 29 LEU HB3 H 1 1.69 0.03 . 1 . . . 1 29 LEU HB3 . 18404 1 261 . 1 1 29 29 LEU HG H 1 1.49 0.03 . 1 . . . 1 29 LEU HG . 18404 1 262 . 1 1 29 29 LEU HD11 H 1 0.74 0.03 . 1 . . . 1 29 LEU HD11 . 18404 1 263 . 1 1 29 29 LEU HD12 H 1 0.74 0.03 . 1 . . . 1 29 LEU HD12 . 18404 1 264 . 1 1 29 29 LEU HD13 H 1 0.74 0.03 . 1 . . . 1 29 LEU HD13 . 18404 1 265 . 1 1 29 29 LEU HD21 H 1 0.45 0.03 . 1 . . . 1 29 LEU HD21 . 18404 1 266 . 1 1 29 29 LEU HD22 H 1 0.45 0.03 . 1 . . . 1 29 LEU HD22 . 18404 1 267 . 1 1 29 29 LEU HD23 H 1 0.45 0.03 . 1 . . . 1 29 LEU HD23 . 18404 1 268 . 1 1 29 29 LEU C C 13 174.78 0.1 . 1 . . . 1 29 LEU C . 18404 1 269 . 1 1 29 29 LEU CA C 13 54.52 0.5 . 1 . . . 1 29 LEU CA . 18404 1 270 . 1 1 29 29 LEU CB C 13 46.29 0.5 . 1 . . . 1 29 LEU CB . 18404 1 271 . 1 1 29 29 LEU CG C 13 27.17 0.5 . 1 . . . 1 29 LEU CG . 18404 1 272 . 1 1 29 29 LEU CD1 C 13 24.26 0.5 . 1 . . . 1 29 LEU CD1 . 18404 1 273 . 1 1 29 29 LEU CD2 C 13 27.00 0.5 . 1 . . . 1 29 LEU CD2 . 18404 1 274 . 1 1 29 29 LEU N N 15 127.16 0.25 . 1 . . . 1 29 LEU N . 18404 1 275 . 1 1 30 30 GLN H H 1 8.73 0.03 . 1 . . . 1 30 GLN H . 18404 1 276 . 1 1 30 30 GLN HA H 1 4.52 0.03 . 1 . . . 1 30 GLN HA . 18404 1 277 . 1 1 30 30 GLN HB2 H 1 0.31 0.03 . 1 . . . 1 30 GLN HB2 . 18404 1 278 . 1 1 30 30 GLN HB3 H 1 1.22 0.03 . 1 . . . 1 30 GLN HB3 . 18404 1 279 . 1 1 30 30 GLN HG2 H 1 2.03 0.03 . 2 . . . 1 30 GLN HG2 . 18404 1 280 . 1 1 30 30 GLN HG3 H 1 1.87 0.03 . 2 . . . 1 30 GLN HG3 . 18404 1 281 . 1 1 30 30 GLN HE21 H 1 7.99 0.03 . 1 . . . 1 30 GLN HE21 . 18404 1 282 . 1 1 30 30 GLN HE22 H 1 6.75 0.03 . 1 . . . 1 30 GLN HE22 . 18404 1 283 . 1 1 30 30 GLN C C 13 172.45 0.1 . 1 . . . 1 30 GLN C . 18404 1 284 . 1 1 30 30 GLN CA C 13 54.07 0.5 . 1 . . . 1 30 GLN CA . 18404 1 285 . 1 1 30 30 GLN CB C 13 32.96 0.5 . 1 . . . 1 30 GLN CB . 18404 1 286 . 1 1 30 30 GLN CG C 13 34.43 0.5 . 1 . . . 1 30 GLN CG . 18404 1 287 . 1 1 30 30 GLN CD C 13 179.61 0.1 . 1 . . . 1 30 GLN CD . 18404 1 288 . 1 1 30 30 GLN N N 15 124.51 0.25 . 1 . . . 1 30 GLN N . 18404 1 289 . 1 1 30 30 GLN NE2 N 15 112.70 0.25 . 1 . . . 1 30 GLN NE2 . 18404 1 290 . 1 1 31 31 LYS H H 1 8.23 0.03 . 1 . . . 1 31 LYS H . 18404 1 291 . 1 1 31 31 LYS HA H 1 3.81 0.03 . 1 . . . 1 31 LYS HA . 18404 1 292 . 1 1 31 31 LYS HB2 H 1 -0.99 0.03 . 1 . . . 1 31 LYS HB2 . 18404 1 293 . 1 1 31 31 LYS HB3 H 1 0.26 0.03 . 1 . . . 1 31 LYS HB3 . 18404 1 294 . 1 1 31 31 LYS HG2 H 1 -0.45 0.03 . 1 . . . 1 31 LYS HG2 . 18404 1 295 . 1 1 31 31 LYS HG3 H 1 0.57 0.03 . 1 . . . 1 31 LYS HG3 . 18404 1 296 . 1 1 31 31 LYS HD2 H 1 0.87 0.03 . 2 . . . 1 31 LYS HD2 . 18404 1 297 . 1 1 31 31 LYS HE2 H 1 2.32 0.03 . 2 . . . 1 31 LYS HE2 . 18404 1 298 . 1 1 31 31 LYS C C 13 174.78 0.1 . 1 . . . 1 31 LYS C . 18404 1 299 . 1 1 31 31 LYS CA C 13 54.82 0.5 . 1 . . . 1 31 LYS CA . 18404 1 300 . 1 1 31 31 LYS CB C 13 30.40 0.5 . 1 . . . 1 31 LYS CB . 18404 1 301 . 1 1 31 31 LYS CG C 13 24.72 0.5 . 1 . . . 1 31 LYS CG . 18404 1 302 . 1 1 31 31 LYS CD C 13 29.00 0.5 . 1 . . . 1 31 LYS CD . 18404 1 303 . 1 1 31 31 LYS CE C 13 41.40 0.5 . 1 . . . 1 31 LYS CE . 18404 1 304 . 1 1 31 31 LYS N N 15 125.88 0.25 . 1 . . . 1 31 LYS N . 18404 1 305 . 1 1 32 32 ILE H H 1 8.32 0.03 . 1 . . . 1 32 ILE H . 18404 1 306 . 1 1 32 32 ILE HA H 1 3.96 0.03 . 1 . . . 1 32 ILE HA . 18404 1 307 . 1 1 32 32 ILE HB H 1 1.61 0.03 . 1 . . . 1 32 ILE HB . 18404 1 308 . 1 1 32 32 ILE HG12 H 1 0.70 0.03 . 2 . . . 1 32 ILE HG12 . 18404 1 309 . 1 1 32 32 ILE HG13 H 1 0.51 0.03 . 2 . . . 1 32 ILE HG13 . 18404 1 310 . 1 1 32 32 ILE HG21 H 1 0.64 0.03 . 1 . . . 1 32 ILE HG21 . 18404 1 311 . 1 1 32 32 ILE HG22 H 1 0.64 0.03 . 1 . . . 1 32 ILE HG22 . 18404 1 312 . 1 1 32 32 ILE HG23 H 1 0.64 0.03 . 1 . . . 1 32 ILE HG23 . 18404 1 313 . 1 1 32 32 ILE HD11 H 1 -0.06 0.03 . 1 . . . 1 32 ILE HD11 . 18404 1 314 . 1 1 32 32 ILE HD12 H 1 -0.06 0.03 . 1 . . . 1 32 ILE HD12 . 18404 1 315 . 1 1 32 32 ILE HD13 H 1 -0.06 0.03 . 1 . . . 1 32 ILE HD13 . 18404 1 316 . 1 1 32 32 ILE C C 13 176.00 0.1 . 1 . . . 1 32 ILE C . 18404 1 317 . 1 1 32 32 ILE CA C 13 58.68 0.5 . 1 . . . 1 32 ILE CA . 18404 1 318 . 1 1 32 32 ILE CB C 13 38.26 0.5 . 1 . . . 1 32 ILE CB . 18404 1 319 . 1 1 32 32 ILE CG1 C 13 25.61 0.5 . 1 . . . 1 32 ILE CG1 . 18404 1 320 . 1 1 32 32 ILE CG2 C 13 16.60 0.5 . 1 . . . 1 32 ILE CG2 . 18404 1 321 . 1 1 32 32 ILE CD1 C 13 10.80 0.5 . 1 . . . 1 32 ILE CD1 . 18404 1 322 . 1 1 32 32 ILE N N 15 129.88 0.25 . 1 . . . 1 32 ILE N . 18404 1 323 . 1 1 33 33 ASN H H 1 9.20 0.03 . 1 . . . 1 33 ASN H . 18404 1 324 . 1 1 33 33 ASN HA H 1 4.25 0.03 . 1 . . . 1 33 ASN HA . 18404 1 325 . 1 1 33 33 ASN HB2 H 1 2.68 0.03 . 1 . . . 1 33 ASN HB2 . 18404 1 326 . 1 1 33 33 ASN HB3 H 1 2.98 0.03 . 1 . . . 1 33 ASN HB3 . 18404 1 327 . 1 1 33 33 ASN HD21 H 1 7.75 0.03 . 1 . . . 1 33 ASN HD21 . 18404 1 328 . 1 1 33 33 ASN HD22 H 1 6.77 0.03 . 1 . . . 1 33 ASN HD22 . 18404 1 329 . 1 1 33 33 ASN C C 13 175.15 0.1 . 1 . . . 1 33 ASN C . 18404 1 330 . 1 1 33 33 ASN CA C 13 53.94 0.5 . 1 . . . 1 33 ASN CA . 18404 1 331 . 1 1 33 33 ASN CB C 13 37.29 0.5 . 1 . . . 1 33 ASN CB . 18404 1 332 . 1 1 33 33 ASN CG C 13 178.08 0.1 . 1 . . . 1 33 ASN CG . 18404 1 333 . 1 1 33 33 ASN N N 15 125.87 0.25 . 1 . . . 1 33 ASN N . 18404 1 334 . 1 1 33 33 ASN ND2 N 15 113.01 0.25 . 1 . . . 1 33 ASN ND2 . 18404 1 335 . 1 1 34 34 GLY H H 1 8.27 0.03 . 1 . . . 1 34 GLY H . 18404 1 336 . 1 1 34 34 GLY HA2 H 1 4.09 0.03 . 2 . . . 1 34 GLY HA2 . 18404 1 337 . 1 1 34 34 GLY HA3 H 1 3.25 0.03 . 2 . . . 1 34 GLY HA3 . 18404 1 338 . 1 1 34 34 GLY C C 13 173.19 0.1 . 1 . . . 1 34 GLY C . 18404 1 339 . 1 1 34 34 GLY CA C 13 45.13 0.5 . 1 . . . 1 34 GLY CA . 18404 1 340 . 1 1 34 34 GLY N N 15 101.69 0.25 . 1 . . . 1 34 GLY N . 18404 1 341 . 1 1 35 35 ILE H H 1 7.40 0.03 . 1 . . . 1 35 ILE H . 18404 1 342 . 1 1 35 35 ILE HA H 1 4.36 0.03 . 1 . . . 1 35 ILE HA . 18404 1 343 . 1 1 35 35 ILE HB H 1 1.79 0.03 . 1 . . . 1 35 ILE HB . 18404 1 344 . 1 1 35 35 ILE HG12 H 1 1.36 0.03 . 1 . . . 1 35 ILE HG12 . 18404 1 345 . 1 1 35 35 ILE HG13 H 1 1.03 0.03 . 1 . . . 1 35 ILE HG13 . 18404 1 346 . 1 1 35 35 ILE HG21 H 1 0.85 0.03 . 1 . . . 1 35 ILE HG21 . 18404 1 347 . 1 1 35 35 ILE HG22 H 1 0.85 0.03 . 1 . . . 1 35 ILE HG22 . 18404 1 348 . 1 1 35 35 ILE HG23 H 1 0.85 0.03 . 1 . . . 1 35 ILE HG23 . 18404 1 349 . 1 1 35 35 ILE HD11 H 1 0.92 0.03 . 1 . . . 1 35 ILE HD11 . 18404 1 350 . 1 1 35 35 ILE HD12 H 1 0.92 0.03 . 1 . . . 1 35 ILE HD12 . 18404 1 351 . 1 1 35 35 ILE HD13 H 1 0.92 0.03 . 1 . . . 1 35 ILE HD13 . 18404 1 352 . 1 1 35 35 ILE C C 13 175.31 0.1 . 1 . . . 1 35 ILE C . 18404 1 353 . 1 1 35 35 ILE CA C 13 58.83 0.5 . 1 . . . 1 35 ILE CA . 18404 1 354 . 1 1 35 35 ILE CB C 13 41.42 0.5 . 1 . . . 1 35 ILE CB . 18404 1 355 . 1 1 35 35 ILE CG1 C 13 26.34 0.5 . 1 . . . 1 35 ILE CG1 . 18404 1 356 . 1 1 35 35 ILE CG2 C 13 17.07 0.5 . 1 . . . 1 35 ILE CG2 . 18404 1 357 . 1 1 35 35 ILE CD1 C 13 12.32 0.5 . 1 . . . 1 35 ILE CD1 . 18404 1 358 . 1 1 35 35 ILE N N 15 119.02 0.25 . 1 . . . 1 35 ILE N . 18404 1 359 . 1 1 36 36 TRP H H 1 8.88 0.03 . 1 . . . 1 36 TRP H . 18404 1 360 . 1 1 36 36 TRP HA H 1 4.52 0.03 . 1 . . . 1 36 TRP HA . 18404 1 361 . 1 1 36 36 TRP HB2 H 1 3.08 0.03 . 1 . . . 1 36 TRP HB2 . 18404 1 362 . 1 1 36 36 TRP HB3 H 1 2.77 0.03 . 1 . . . 1 36 TRP HB3 . 18404 1 363 . 1 1 36 36 TRP HD1 H 1 7.29 0.03 . 1 . . . 1 36 TRP HD1 . 18404 1 364 . 1 1 36 36 TRP HE1 H 1 10.15 0.03 . 1 . . . 1 36 TRP HE1 . 18404 1 365 . 1 1 36 36 TRP HZ2 H 1 7.20 0.03 . 1 . . . 1 36 TRP HZ2 . 18404 1 366 . 1 1 36 36 TRP C C 13 176.30 0.1 . 1 . . . 1 36 TRP C . 18404 1 367 . 1 1 36 36 TRP CA C 13 58.32 0.5 . 1 . . . 1 36 TRP CA . 18404 1 368 . 1 1 36 36 TRP CB C 13 29.52 0.5 . 1 . . . 1 36 TRP CB . 18404 1 369 . 1 1 36 36 TRP N N 15 126.17 0.25 . 1 . . . 1 36 TRP N . 18404 1 370 . 1 1 36 36 TRP NE1 N 15 129.20 0.25 . 1 . . . 1 36 TRP NE1 . 18404 1 371 . 1 1 37 37 GLN H H 1 9.37 0.03 . 1 . . . 1 37 GLN H . 18404 1 372 . 1 1 37 37 GLN HA H 1 5.28 0.03 . 1 . . . 1 37 GLN HA . 18404 1 373 . 1 1 37 37 GLN HB2 H 1 2.02 0.03 . 2 . . . 1 37 GLN HB2 . 18404 1 374 . 1 1 37 37 GLN HB3 H 1 1.97 0.03 . 2 . . . 1 37 GLN HB3 . 18404 1 375 . 1 1 37 37 GLN HG2 H 1 2.29 0.03 . 2 . . . 1 37 GLN HG2 . 18404 1 376 . 1 1 37 37 GLN HE21 H 1 6.48 0.03 . 1 . . . 1 37 GLN HE21 . 18404 1 377 . 1 1 37 37 GLN HE22 H 1 6.29 0.03 . 1 . . . 1 37 GLN HE22 . 18404 1 378 . 1 1 37 37 GLN C C 13 173.78 0.1 . 1 . . . 1 37 GLN C . 18404 1 379 . 1 1 37 37 GLN CA C 13 55.15 0.5 . 1 . . . 1 37 GLN CA . 18404 1 380 . 1 1 37 37 GLN CB C 13 34.73 0.5 . 1 . . . 1 37 GLN CB . 18404 1 381 . 1 1 37 37 GLN CG C 13 34.80 0.5 . 1 . . . 1 37 GLN CG . 18404 1 382 . 1 1 37 37 GLN CD C 13 178.08 0.1 . 1 . . . 1 37 GLN CD . 18404 1 383 . 1 1 37 37 GLN N N 15 123.14 0.25 . 1 . . . 1 37 GLN N . 18404 1 384 . 1 1 37 37 GLN NE2 N 15 107.50 0.25 . 1 . . . 1 37 GLN NE2 . 18404 1 385 . 1 1 38 38 VAL H H 1 10.06 0.03 . 1 . . . 1 38 VAL H . 18404 1 386 . 1 1 38 38 VAL HA H 1 4.83 0.03 . 1 . . . 1 38 VAL HA . 18404 1 387 . 1 1 38 38 VAL HB H 1 1.75 0.03 . 1 . . . 1 38 VAL HB . 18404 1 388 . 1 1 38 38 VAL HG11 H 1 0.68 0.03 . 1 . . . 1 38 VAL HG11 . 18404 1 389 . 1 1 38 38 VAL HG12 H 1 0.68 0.03 . 1 . . . 1 38 VAL HG12 . 18404 1 390 . 1 1 38 38 VAL HG13 H 1 0.68 0.03 . 1 . . . 1 38 VAL HG13 . 18404 1 391 . 1 1 38 38 VAL HG21 H 1 0.50 0.03 . 1 . . . 1 38 VAL HG21 . 18404 1 392 . 1 1 38 38 VAL HG22 H 1 0.50 0.03 . 1 . . . 1 38 VAL HG22 . 18404 1 393 . 1 1 38 38 VAL HG23 H 1 0.50 0.03 . 1 . . . 1 38 VAL HG23 . 18404 1 394 . 1 1 38 38 VAL C C 13 175.82 0.1 . 1 . . . 1 38 VAL C . 18404 1 395 . 1 1 38 38 VAL CA C 13 60.83 0.5 . 1 . . . 1 38 VAL CA . 18404 1 396 . 1 1 38 38 VAL CB C 13 35.39 0.5 . 1 . . . 1 38 VAL CB . 18404 1 397 . 1 1 38 38 VAL CG1 C 13 22.98 0.5 . 1 . . . 1 38 VAL CG1 . 18404 1 398 . 1 1 38 38 VAL CG2 C 13 21.68 0.5 . 1 . . . 1 38 VAL CG2 . 18404 1 399 . 1 1 38 38 VAL N N 15 118.65 0.25 . 1 . . . 1 38 VAL N . 18404 1 400 . 1 1 39 39 ARG H H 1 8.59 0.03 . 1 . . . 1 39 ARG H . 18404 1 401 . 1 1 39 39 ARG HA H 1 4.51 0.03 . 1 . . . 1 39 ARG HA . 18404 1 402 . 1 1 39 39 ARG HB2 H 1 1.14 0.03 . 1 . . . 1 39 ARG HB2 . 18404 1 403 . 1 1 39 39 ARG HB3 H 1 0.61 0.03 . 1 . . . 1 39 ARG HB3 . 18404 1 404 . 1 1 39 39 ARG HG2 H 1 -0.01 0.03 . 2 . . . 1 39 ARG HG2 . 18404 1 405 . 1 1 39 39 ARG HD2 H 1 2.16 0.03 . 2 . . . 1 39 ARG HD2 . 18404 1 406 . 1 1 39 39 ARG HD3 H 1 1.08 0.03 . 2 . . . 1 39 ARG HD3 . 18404 1 407 . 1 1 39 39 ARG HE H 1 7.41 0.03 . 1 . . . 1 39 ARG HE . 18404 1 408 . 1 1 39 39 ARG C C 13 173.89 0.1 . 1 . . . 1 39 ARG C . 18404 1 409 . 1 1 39 39 ARG CA C 13 53.81 0.5 . 1 . . . 1 39 ARG CA . 18404 1 410 . 1 1 39 39 ARG CB C 13 32.78 0.5 . 1 . . . 1 39 ARG CB . 18404 1 411 . 1 1 39 39 ARG CG C 13 26.68 0.5 . 1 . . . 1 39 ARG CG . 18404 1 412 . 1 1 39 39 ARG CD C 13 43.12 0.5 . 1 . . . 1 39 ARG CD . 18404 1 413 . 1 1 39 39 ARG CZ C 13 158.34 0.1 . 1 . . . 1 39 ARG CZ . 18404 1 414 . 1 1 39 39 ARG N N 15 127.97 0.25 . 1 . . . 1 39 ARG N . 18404 1 415 . 1 1 39 39 ARG NE N 15 86.20 0.25 . 1 . . . 1 39 ARG NE . 18404 1 416 . 1 1 40 40 ASN H H 1 8.05 0.03 . 1 . . . 1 40 ASN H . 18404 1 417 . 1 1 40 40 ASN HA H 1 5.48 0.03 . 1 . . . 1 40 ASN HA . 18404 1 418 . 1 1 40 40 ASN HB2 H 1 2.53 0.03 . 1 . . . 1 40 ASN HB2 . 18404 1 419 . 1 1 40 40 ASN HB3 H 1 2.85 0.03 . 1 . . . 1 40 ASN HB3 . 18404 1 420 . 1 1 40 40 ASN HD21 H 1 9.98 0.03 . 1 . . . 1 40 ASN HD21 . 18404 1 421 . 1 1 40 40 ASN HD22 H 1 7.82 0.03 . 1 . . . 1 40 ASN HD22 . 18404 1 422 . 1 1 40 40 ASN C C 13 173.60 0.1 . 1 . . . 1 40 ASN C . 18404 1 423 . 1 1 40 40 ASN CA C 13 53.13 0.5 . 1 . . . 1 40 ASN CA . 18404 1 424 . 1 1 40 40 ASN CB C 13 42.89 0.5 . 1 . . . 1 40 ASN CB . 18404 1 425 . 1 1 40 40 ASN CG C 13 174.20 0.1 . 1 . . . 1 40 ASN CG . 18404 1 426 . 1 1 40 40 ASN N N 15 124.98 0.25 . 1 . . . 1 40 ASN N . 18404 1 427 . 1 1 40 40 ASN ND2 N 15 118.00 0.25 . 1 . . . 1 40 ASN ND2 . 18404 1 428 . 1 1 41 41 ASN H H 1 9.97 0.03 . 1 . . . 1 41 ASN H . 18404 1 429 . 1 1 41 41 ASN HA H 1 4.57 0.03 . 1 . . . 1 41 ASN HA . 18404 1 430 . 1 1 41 41 ASN HB2 H 1 2.86 0.03 . 1 . . . 1 41 ASN HB2 . 18404 1 431 . 1 1 41 41 ASN HB3 H 1 2.60 0.03 . 1 . . . 1 41 ASN HB3 . 18404 1 432 . 1 1 41 41 ASN HD21 H 1 7.24 0.03 . 1 . . . 1 41 ASN HD21 . 18404 1 433 . 1 1 41 41 ASN HD22 H 1 6.74 0.03 . 1 . . . 1 41 ASN HD22 . 18404 1 434 . 1 1 41 41 ASN C C 13 176.62 0.1 . 1 . . . 1 41 ASN C . 18404 1 435 . 1 1 41 41 ASN CA C 13 54.32 0.5 . 1 . . . 1 41 ASN CA . 18404 1 436 . 1 1 41 41 ASN CB C 13 37.66 0.5 . 1 . . . 1 41 ASN CB . 18404 1 437 . 1 1 41 41 ASN CG C 13 175.80 0.1 . 1 . . . 1 41 ASN CG . 18404 1 438 . 1 1 41 41 ASN N N 15 125.11 0.25 . 1 . . . 1 41 ASN N . 18404 1 439 . 1 1 41 41 ASN ND2 N 15 108.70 0.25 . 1 . . . 1 41 ASN ND2 . 18404 1 440 . 1 1 42 42 ILE H H 1 7.59 0.03 . 1 . . . 1 42 ILE H . 18404 1 441 . 1 1 42 42 ILE HA H 1 4.09 0.03 . 1 . . . 1 42 ILE HA . 18404 1 442 . 1 1 42 42 ILE HB H 1 2.63 0.03 . 1 . . . 1 42 ILE HB . 18404 1 443 . 1 1 42 42 ILE HG12 H 1 1.72 0.03 . 1 . . . 1 42 ILE HG12 . 18404 1 444 . 1 1 42 42 ILE HG13 H 1 1.64 0.03 . 1 . . . 1 42 ILE HG13 . 18404 1 445 . 1 1 42 42 ILE HG21 H 1 1.07 0.03 . 1 . . . 1 42 ILE HG21 . 18404 1 446 . 1 1 42 42 ILE HG22 H 1 1.07 0.03 . 1 . . . 1 42 ILE HG22 . 18404 1 447 . 1 1 42 42 ILE HG23 H 1 1.07 0.03 . 1 . . . 1 42 ILE HG23 . 18404 1 448 . 1 1 42 42 ILE HD11 H 1 0.94 0.03 . 1 . . . 1 42 ILE HD11 . 18404 1 449 . 1 1 42 42 ILE HD12 H 1 0.94 0.03 . 1 . . . 1 42 ILE HD12 . 18404 1 450 . 1 1 42 42 ILE HD13 H 1 0.94 0.03 . 1 . . . 1 42 ILE HD13 . 18404 1 451 . 1 1 42 42 ILE C C 13 178.50 0.1 . 1 . . . 1 42 ILE C . 18404 1 452 . 1 1 42 42 ILE CA C 13 62.65 0.5 . 1 . . . 1 42 ILE CA . 18404 1 453 . 1 1 42 42 ILE CB C 13 36.47 0.5 . 1 . . . 1 42 ILE CB . 18404 1 454 . 1 1 42 42 ILE CG1 C 13 28.33 0.5 . 1 . . . 1 42 ILE CG1 . 18404 1 455 . 1 1 42 42 ILE CG2 C 13 17.15 0.5 . 1 . . . 1 42 ILE CG2 . 18404 1 456 . 1 1 42 42 ILE CD1 C 13 11.15 0.5 . 1 . . . 1 42 ILE CD1 . 18404 1 457 . 1 1 42 42 ILE N N 15 122.32 0.25 . 1 . . . 1 42 ILE N . 18404 1 458 . 1 1 43 43 LEU H H 1 9.02 0.03 . 1 . . . 1 43 LEU H . 18404 1 459 . 1 1 43 43 LEU HA H 1 4.40 0.03 . 1 . . . 1 43 LEU HA . 18404 1 460 . 1 1 43 43 LEU HB2 H 1 1.95 0.03 . 1 . . . 1 43 LEU HB2 . 18404 1 461 . 1 1 43 43 LEU HB3 H 1 1.70 0.03 . 1 . . . 1 43 LEU HB3 . 18404 1 462 . 1 1 43 43 LEU HG H 1 1.62 0.03 . 1 . . . 1 43 LEU HG . 18404 1 463 . 1 1 43 43 LEU HD11 H 1 0.91 0.03 . 1 . . . 1 43 LEU HD11 . 18404 1 464 . 1 1 43 43 LEU HD12 H 1 0.91 0.03 . 1 . . . 1 43 LEU HD12 . 18404 1 465 . 1 1 43 43 LEU HD13 H 1 0.91 0.03 . 1 . . . 1 43 LEU HD13 . 18404 1 466 . 1 1 43 43 LEU HD21 H 1 0.23 0.03 . 1 . . . 1 43 LEU HD21 . 18404 1 467 . 1 1 43 43 LEU HD22 H 1 0.23 0.03 . 1 . . . 1 43 LEU HD22 . 18404 1 468 . 1 1 43 43 LEU HD23 H 1 0.23 0.03 . 1 . . . 1 43 LEU HD23 . 18404 1 469 . 1 1 43 43 LEU C C 13 177.46 0.1 . 1 . . . 1 43 LEU C . 18404 1 470 . 1 1 43 43 LEU CA C 13 56.47 0.5 . 1 . . . 1 43 LEU CA . 18404 1 471 . 1 1 43 43 LEU CB C 13 43.51 0.5 . 1 . . . 1 43 LEU CB . 18404 1 472 . 1 1 43 43 LEU CG C 13 27.49 0.5 . 1 . . . 1 43 LEU CG . 18404 1 473 . 1 1 43 43 LEU CD1 C 13 22.54 0.5 . 1 . . . 1 43 LEU CD1 . 18404 1 474 . 1 1 43 43 LEU CD2 C 13 24.85 0.5 . 1 . . . 1 43 LEU CD2 . 18404 1 475 . 1 1 43 43 LEU N N 15 119.70 0.25 . 1 . . . 1 43 LEU N . 18404 1 476 . 1 1 44 44 VAL H H 1 7.76 0.03 . 1 . . . 1 44 VAL H . 18404 1 477 . 1 1 44 44 VAL HA H 1 4.85 0.03 . 1 . . . 1 44 VAL HA . 18404 1 478 . 1 1 44 44 VAL HB H 1 2.71 0.03 . 1 . . . 1 44 VAL HB . 18404 1 479 . 1 1 44 44 VAL HG11 H 1 1.28 0.03 . 1 . . . 1 44 VAL HG11 . 18404 1 480 . 1 1 44 44 VAL HG12 H 1 1.28 0.03 . 1 . . . 1 44 VAL HG12 . 18404 1 481 . 1 1 44 44 VAL HG13 H 1 1.28 0.03 . 1 . . . 1 44 VAL HG13 . 18404 1 482 . 1 1 44 44 VAL HG21 H 1 1.48 0.03 . 1 . . . 1 44 VAL HG21 . 18404 1 483 . 1 1 44 44 VAL HG22 H 1 1.48 0.03 . 1 . . . 1 44 VAL HG22 . 18404 1 484 . 1 1 44 44 VAL HG23 H 1 1.48 0.03 . 1 . . . 1 44 VAL HG23 . 18404 1 485 . 1 1 44 44 VAL C C 13 172.54 0.1 . 1 . . . 1 44 VAL C . 18404 1 486 . 1 1 44 44 VAL CA C 13 59.45 0.5 . 1 . . . 1 44 VAL CA . 18404 1 487 . 1 1 44 44 VAL CB C 13 31.06 0.5 . 1 . . . 1 44 VAL CB . 18404 1 488 . 1 1 44 44 VAL CG1 C 13 23.30 0.5 . 1 . . . 1 44 VAL CG1 . 18404 1 489 . 1 1 44 44 VAL CG2 C 13 21.02 0.5 . 1 . . . 1 44 VAL CG2 . 18404 1 490 . 1 1 44 44 VAL N N 15 115.44 0.25 . 1 . . . 1 44 VAL N . 18404 1 491 . 1 1 45 45 PRO HA H 1 4.79 0.03 . 1 . . . 1 45 PRO HA . 18404 1 492 . 1 1 45 45 PRO HB2 H 1 1.91 0.03 . 1 . . . 1 45 PRO HB2 . 18404 1 493 . 1 1 45 45 PRO HB3 H 1 2.43 0.03 . 1 . . . 1 45 PRO HB3 . 18404 1 494 . 1 1 45 45 PRO HG2 H 1 2.00 0.03 . 1 . . . 1 45 PRO HG2 . 18404 1 495 . 1 1 45 45 PRO HG3 H 1 1.78 0.03 . 1 . . . 1 45 PRO HG3 . 18404 1 496 . 1 1 45 45 PRO HD2 H 1 3.48 0.03 . 1 . . . 1 45 PRO HD2 . 18404 1 497 . 1 1 45 45 PRO HD3 H 1 3.36 0.03 . 1 . . . 1 45 PRO HD3 . 18404 1 498 . 1 1 45 45 PRO C C 13 176.85 0.1 . 1 . . . 1 45 PRO C . 18404 1 499 . 1 1 45 45 PRO CA C 13 64.67 0.5 . 1 . . . 1 45 PRO CA . 18404 1 500 . 1 1 45 45 PRO CB C 13 33.31 0.5 . 1 . . . 1 45 PRO CB . 18404 1 501 . 1 1 45 45 PRO CG C 13 27.98 0.5 . 1 . . . 1 45 PRO CG . 18404 1 502 . 1 1 45 45 PRO CD C 13 50.78 0.5 . 1 . . . 1 45 PRO CD . 18404 1 503 . 1 1 46 46 THR H H 1 7.18 0.03 . 1 . . . 1 46 THR H . 18404 1 504 . 1 1 46 46 THR HA H 1 4.51 0.03 . 1 . . . 1 46 THR HA . 18404 1 505 . 1 1 46 46 THR HB H 1 4.11 0.03 . 1 . . . 1 46 THR HB . 18404 1 506 . 1 1 46 46 THR HG21 H 1 0.83 0.03 . 1 . . . 1 46 THR HG21 . 18404 1 507 . 1 1 46 46 THR HG22 H 1 0.83 0.03 . 1 . . . 1 46 THR HG22 . 18404 1 508 . 1 1 46 46 THR HG23 H 1 0.83 0.03 . 1 . . . 1 46 THR HG23 . 18404 1 509 . 1 1 46 46 THR C C 13 171.20 0.1 . 1 . . . 1 46 THR C . 18404 1 510 . 1 1 46 46 THR CA C 13 60.22 0.5 . 1 . . . 1 46 THR CA . 18404 1 511 . 1 1 46 46 THR CB C 13 70.00 0.5 . 1 . . . 1 46 THR CB . 18404 1 512 . 1 1 46 46 THR CG2 C 13 19.55 0.5 . 1 . . . 1 46 THR CG2 . 18404 1 513 . 1 1 46 46 THR N N 15 108.03 0.25 . 1 . . . 1 46 THR N . 18404 1 514 . 1 1 47 47 ASP H H 1 8.26 0.03 . 1 . . . 1 47 ASP H . 18404 1 515 . 1 1 47 47 ASP HA H 1 4.12 0.03 . 1 . . . 1 47 ASP HA . 18404 1 516 . 1 1 47 47 ASP HB2 H 1 2.45 0.03 . 2 . . . 1 47 ASP HB2 . 18404 1 517 . 1 1 47 47 ASP HB3 H 1 2.70 0.03 . 2 . . . 1 47 ASP HB3 . 18404 1 518 . 1 1 47 47 ASP C C 13 173.89 0.1 . 1 . . . 1 47 ASP C . 18404 1 519 . 1 1 47 47 ASP CA C 13 55.23 0.5 . 1 . . . 1 47 ASP CA . 18404 1 520 . 1 1 47 47 ASP CB C 13 39.68 0.5 . 1 . . . 1 47 ASP CB . 18404 1 521 . 1 1 47 47 ASP N N 15 118.48 0.25 . 1 . . . 1 47 ASP N . 18404 1 522 . 1 1 48 48 PHE H H 1 8.05 0.03 . 1 . . . 1 48 PHE H . 18404 1 523 . 1 1 48 48 PHE HA H 1 3.99 0.03 . 1 . . . 1 48 PHE HA . 18404 1 524 . 1 1 48 48 PHE HB2 H 1 2.66 0.03 . 2 . . . 1 48 PHE HB2 . 18404 1 525 . 1 1 48 48 PHE HD2 H 1 7.43 0.03 . 3 . . . 1 48 PHE HD2 . 18404 1 526 . 1 1 48 48 PHE HE2 H 1 7.26 0.03 . 4 . . . 1 48 PHE HE2 . 18404 1 527 . 1 1 48 48 PHE HZ H 1 7.28 0.03 . 4 . . . 1 48 PHE HZ . 18404 1 528 . 1 1 48 48 PHE C C 13 176.88 0.1 . 1 . . . 1 48 PHE C . 18404 1 529 . 1 1 48 48 PHE CA C 13 59.79 0.5 . 1 . . . 1 48 PHE CA . 18404 1 530 . 1 1 48 48 PHE CB C 13 39.89 0.5 . 1 . . . 1 48 PHE CB . 18404 1 531 . 1 1 48 48 PHE N N 15 117.98 0.25 . 1 . . . 1 48 PHE N . 18404 1 532 . 1 1 49 49 THR H H 1 8.62 0.03 . 1 . . . 1 49 THR H . 18404 1 533 . 1 1 49 49 THR HA H 1 4.11 0.03 . 1 . . . 1 49 THR HA . 18404 1 534 . 1 1 49 49 THR HB H 1 4.09 0.03 . 1 . . . 1 49 THR HB . 18404 1 535 . 1 1 49 49 THR HG21 H 1 1.12 0.03 . 1 . . . 1 49 THR HG21 . 18404 1 536 . 1 1 49 49 THR HG22 H 1 1.12 0.03 . 1 . . . 1 49 THR HG22 . 18404 1 537 . 1 1 49 49 THR HG23 H 1 1.12 0.03 . 1 . . . 1 49 THR HG23 . 18404 1 538 . 1 1 49 49 THR C C 13 172.95 0.1 . 1 . . . 1 49 THR C . 18404 1 539 . 1 1 49 49 THR CA C 13 59.59 0.5 . 1 . . . 1 49 THR CA . 18404 1 540 . 1 1 49 49 THR CB C 13 71.77 0.5 . 1 . . . 1 49 THR CB . 18404 1 541 . 1 1 49 49 THR CG2 C 13 21.69 0.5 . 1 . . . 1 49 THR CG2 . 18404 1 542 . 1 1 49 49 THR N N 15 121.12 0.25 . 1 . . . 1 49 THR N . 18404 1 543 . 1 1 50 50 TRP H H 1 7.80 0.03 . 1 . . . 1 50 TRP H . 18404 1 544 . 1 1 50 50 TRP HA H 1 3.70 0.03 . 1 . . . 1 50 TRP HA . 18404 1 545 . 1 1 50 50 TRP HB2 H 1 2.99 0.03 . 1 . . . 1 50 TRP HB2 . 18404 1 546 . 1 1 50 50 TRP HB3 H 1 3.36 0.03 . 1 . . . 1 50 TRP HB3 . 18404 1 547 . 1 1 50 50 TRP HD1 H 1 7.45 0.03 . 1 . . . 1 50 TRP HD1 . 18404 1 548 . 1 1 50 50 TRP HE1 H 1 10.18 0.03 . 1 . . . 1 50 TRP HE1 . 18404 1 549 . 1 1 50 50 TRP HE3 H 1 7.53 0.03 . 1 . . . 1 50 TRP HE3 . 18404 1 550 . 1 1 50 50 TRP HZ2 H 1 7.43 0.03 . 1 . . . 1 50 TRP HZ2 . 18404 1 551 . 1 1 50 50 TRP HZ3 H 1 6.75 0.03 . 1 . . . 1 50 TRP HZ3 . 18404 1 552 . 1 1 50 50 TRP HH2 H 1 6.68 0.03 . 1 . . . 1 50 TRP HH2 . 18404 1 553 . 1 1 50 50 TRP C C 13 179.18 0.1 . 1 . . . 1 50 TRP C . 18404 1 554 . 1 1 50 50 TRP CA C 13 60.44 0.5 . 1 . . . 1 50 TRP CA . 18404 1 555 . 1 1 50 50 TRP CB C 13 28.89 0.5 . 1 . . . 1 50 TRP CB . 18404 1 556 . 1 1 50 50 TRP N N 15 123.66 0.25 . 1 . . . 1 50 TRP N . 18404 1 557 . 1 1 50 50 TRP NE1 N 15 128.65 0.25 . 1 . . . 1 50 TRP NE1 . 18404 1 558 . 1 1 51 51 VAL H H 1 7.87 0.03 . 1 . . . 1 51 VAL H . 18404 1 559 . 1 1 51 51 VAL HA H 1 3.94 0.03 . 1 . . . 1 51 VAL HA . 18404 1 560 . 1 1 51 51 VAL HB H 1 2.01 0.03 . 1 . . . 1 51 VAL HB . 18404 1 561 . 1 1 51 51 VAL HG11 H 1 0.99 0.03 . 2 . . . 1 51 VAL HG11 . 18404 1 562 . 1 1 51 51 VAL HG12 H 1 0.99 0.03 . 2 . . . 1 51 VAL HG12 . 18404 1 563 . 1 1 51 51 VAL HG13 H 1 0.99 0.03 . 2 . . . 1 51 VAL HG13 . 18404 1 564 . 1 1 51 51 VAL C C 13 176.53 0.1 . 1 . . . 1 51 VAL C . 18404 1 565 . 1 1 51 51 VAL CA C 13 65.08 0.5 . 1 . . . 1 51 VAL CA . 18404 1 566 . 1 1 51 51 VAL CB C 13 31.60 0.5 . 1 . . . 1 51 VAL CB . 18404 1 567 . 1 1 51 51 VAL CG1 C 13 22.01 0.5 . 2 . . . 1 51 VAL CG1 . 18404 1 568 . 1 1 51 51 VAL CG2 C 13 21.73 0.5 . 2 . . . 1 51 VAL CG2 . 18404 1 569 . 1 1 51 51 VAL N N 15 114.51 0.25 . 1 . . . 1 51 VAL N . 18404 1 570 . 1 1 52 52 ASP H H 1 7.06 0.03 . 1 . . . 1 52 ASP H . 18404 1 571 . 1 1 52 52 ASP HA H 1 5.01 0.03 . 1 . . . 1 52 ASP HA . 18404 1 572 . 1 1 52 52 ASP HB2 H 1 2.56 0.03 . 1 . . . 1 52 ASP HB2 . 18404 1 573 . 1 1 52 52 ASP HB3 H 1 2.34 0.03 . 1 . . . 1 52 ASP HB3 . 18404 1 574 . 1 1 52 52 ASP C C 13 176.58 0.1 . 1 . . . 1 52 ASP C . 18404 1 575 . 1 1 52 52 ASP CA C 13 55.80 0.5 . 1 . . . 1 52 ASP CA . 18404 1 576 . 1 1 52 52 ASP CB C 13 42.06 0.5 . 1 . . . 1 52 ASP CB . 18404 1 577 . 1 1 52 52 ASP N N 15 115.61 0.25 . 1 . . . 1 52 ASP N . 18404 1 578 . 1 1 53 53 ASN H H 1 7.81 0.03 . 1 . . . 1 53 ASN H . 18404 1 579 . 1 1 53 53 ASN HA H 1 5.31 0.03 . 1 . . . 1 53 ASN HA . 18404 1 580 . 1 1 53 53 ASN HB2 H 1 2.19 0.03 . 1 . . . 1 53 ASN HB2 . 18404 1 581 . 1 1 53 53 ASN HB3 H 1 3.54 0.03 . 1 . . . 1 53 ASN HB3 . 18404 1 582 . 1 1 53 53 ASN HD21 H 1 8.51 0.03 . 1 . . . 1 53 ASN HD21 . 18404 1 583 . 1 1 53 53 ASN HD22 H 1 6.64 0.03 . 1 . . . 1 53 ASN HD22 . 18404 1 584 . 1 1 53 53 ASN C C 13 173.58 0.1 . 1 . . . 1 53 ASN C . 18404 1 585 . 1 1 53 53 ASN CA C 13 53.60 0.5 . 1 . . . 1 53 ASN CA . 18404 1 586 . 1 1 53 53 ASN CB C 13 43.41 0.5 . 1 . . . 1 53 ASN CB . 18404 1 587 . 1 1 53 53 ASN CG C 13 176.53 0.1 . 1 . . . 1 53 ASN CG . 18404 1 588 . 1 1 53 53 ASN N N 15 113.04 0.25 . 1 . . . 1 53 ASN N . 18404 1 589 . 1 1 53 53 ASN ND2 N 15 108.60 0.25 . 1 . . . 1 53 ASN ND2 . 18404 1 590 . 1 1 54 54 GLY H H 1 7.93 0.03 . 1 . . . 1 54 GLY H . 18404 1 591 . 1 1 54 54 GLY HA2 H 1 4.07 0.03 . 2 . . . 1 54 GLY HA2 . 18404 1 592 . 1 1 54 54 GLY C C 13 172.38 0.1 . 1 . . . 1 54 GLY C . 18404 1 593 . 1 1 54 54 GLY CA C 13 45.59 0.5 . 1 . . . 1 54 GLY CA . 18404 1 594 . 1 1 54 54 GLY N N 15 106.53 0.25 . 1 . . . 1 54 GLY N . 18404 1 595 . 1 1 55 55 ILE H H 1 8.22 0.03 . 1 . . . 1 55 ILE H . 18404 1 596 . 1 1 55 55 ILE HA H 1 3.79 0.03 . 1 . . . 1 55 ILE HA . 18404 1 597 . 1 1 55 55 ILE HB H 1 1.27 0.03 . 1 . . . 1 55 ILE HB . 18404 1 598 . 1 1 55 55 ILE HG12 H 1 1.92 0.03 . 1 . . . 1 55 ILE HG12 . 18404 1 599 . 1 1 55 55 ILE HG13 H 1 0.59 0.03 . 1 . . . 1 55 ILE HG13 . 18404 1 600 . 1 1 55 55 ILE HG21 H 1 0.77 0.03 . 1 . . . 1 55 ILE HG21 . 18404 1 601 . 1 1 55 55 ILE HG22 H 1 0.77 0.03 . 1 . . . 1 55 ILE HG22 . 18404 1 602 . 1 1 55 55 ILE HG23 H 1 0.77 0.03 . 1 . . . 1 55 ILE HG23 . 18404 1 603 . 1 1 55 55 ILE HD11 H 1 0.24 0.03 . 1 . . . 1 55 ILE HD11 . 18404 1 604 . 1 1 55 55 ILE HD12 H 1 0.24 0.03 . 1 . . . 1 55 ILE HD12 . 18404 1 605 . 1 1 55 55 ILE HD13 H 1 0.24 0.03 . 1 . . . 1 55 ILE HD13 . 18404 1 606 . 1 1 55 55 ILE C C 13 175.66 0.1 . 1 . . . 1 55 ILE C . 18404 1 607 . 1 1 55 55 ILE CA C 13 60.12 0.5 . 1 . . . 1 55 ILE CA . 18404 1 608 . 1 1 55 55 ILE CB C 13 41.40 0.5 . 1 . . . 1 55 ILE CB . 18404 1 609 . 1 1 55 55 ILE CG1 C 13 28.71 0.5 . 1 . . . 1 55 ILE CG1 . 18404 1 610 . 1 1 55 55 ILE CG2 C 13 17.15 0.5 . 1 . . . 1 55 ILE CG2 . 18404 1 611 . 1 1 55 55 ILE CD1 C 13 16.35 0.5 . 1 . . . 1 55 ILE CD1 . 18404 1 612 . 1 1 55 55 ILE N N 15 123.85 0.25 . 1 . . . 1 55 ILE N . 18404 1 613 . 1 1 56 56 ALA H H 1 9.15 0.03 . 1 . . . 1 56 ALA H . 18404 1 614 . 1 1 56 56 ALA HA H 1 4.30 0.03 . 1 . . . 1 56 ALA HA . 18404 1 615 . 1 1 56 56 ALA HB1 H 1 1.32 0.03 . 1 . . . 1 56 ALA HB1 . 18404 1 616 . 1 1 56 56 ALA HB2 H 1 1.32 0.03 . 1 . . . 1 56 ALA HB2 . 18404 1 617 . 1 1 56 56 ALA HB3 H 1 1.32 0.03 . 1 . . . 1 56 ALA HB3 . 18404 1 618 . 1 1 56 56 ALA C C 13 178.06 0.1 . 1 . . . 1 56 ALA C . 18404 1 619 . 1 1 56 56 ALA CA C 13 53.45 0.5 . 1 . . . 1 56 ALA CA . 18404 1 620 . 1 1 56 56 ALA CB C 13 16.86 0.5 . 1 . . . 1 56 ALA CB . 18404 1 621 . 1 1 56 56 ALA N N 15 131.75 0.25 . 1 . . . 1 56 ALA N . 18404 1 622 . 1 1 57 57 ALA H H 1 8.68 0.03 . 1 . . . 1 57 ALA H . 18404 1 623 . 1 1 57 57 ALA HA H 1 3.63 0.03 . 1 . . . 1 57 ALA HA . 18404 1 624 . 1 1 57 57 ALA HB1 H 1 1.19 0.03 . 1 . . . 1 57 ALA HB1 . 18404 1 625 . 1 1 57 57 ALA HB2 H 1 1.19 0.03 . 1 . . . 1 57 ALA HB2 . 18404 1 626 . 1 1 57 57 ALA HB3 H 1 1.19 0.03 . 1 . . . 1 57 ALA HB3 . 18404 1 627 . 1 1 57 57 ALA C C 13 179.27 0.1 . 1 . . . 1 57 ALA C . 18404 1 628 . 1 1 57 57 ALA CA C 13 54.15 0.5 . 1 . . . 1 57 ALA CA . 18404 1 629 . 1 1 57 57 ALA CB C 13 18.81 0.5 . 1 . . . 1 57 ALA CB . 18404 1 630 . 1 1 57 57 ALA N N 15 126.71 0.25 . 1 . . . 1 57 ALA N . 18404 1 631 . 1 1 58 58 ASP H H 1 8.55 0.03 . 1 . . . 1 58 ASP H . 18404 1 632 . 1 1 58 58 ASP HA H 1 4.49 0.03 . 1 . . . 1 58 ASP HA . 18404 1 633 . 1 1 58 58 ASP HB2 H 1 2.76 0.03 . 1 . . . 1 58 ASP HB2 . 18404 1 634 . 1 1 58 58 ASP HB3 H 1 2.35 0.03 . 1 . . . 1 58 ASP HB3 . 18404 1 635 . 1 1 58 58 ASP C C 13 177.15 0.1 . 1 . . . 1 58 ASP C . 18404 1 636 . 1 1 58 58 ASP CA C 13 55.87 0.5 . 1 . . . 1 58 ASP CA . 18404 1 637 . 1 1 58 58 ASP CB C 13 41.08 0.5 . 1 . . . 1 58 ASP CB . 18404 1 638 . 1 1 58 58 ASP N N 15 113.61 0.25 . 1 . . . 1 58 ASP N . 18404 1 639 . 1 1 59 59 ASP H H 1 8.02 0.03 . 1 . . . 1 59 ASP H . 18404 1 640 . 1 1 59 59 ASP HA H 1 5.10 0.03 . 1 . . . 1 59 ASP HA . 18404 1 641 . 1 1 59 59 ASP HB2 H 1 2.52 0.03 . 1 . . . 1 59 ASP HB2 . 18404 1 642 . 1 1 59 59 ASP HB3 H 1 3.12 0.03 . 1 . . . 1 59 ASP HB3 . 18404 1 643 . 1 1 59 59 ASP C C 13 174.14 0.1 . 1 . . . 1 59 ASP C . 18404 1 644 . 1 1 59 59 ASP CA C 13 55.14 0.5 . 1 . . . 1 59 ASP CA . 18404 1 645 . 1 1 59 59 ASP CB C 13 42.18 0.5 . 1 . . . 1 59 ASP CB . 18404 1 646 . 1 1 59 59 ASP N N 15 117.64 0.25 . 1 . . . 1 59 ASP N . 18404 1 647 . 1 1 60 60 VAL H H 1 7.56 0.03 . 1 . . . 1 60 VAL H . 18404 1 648 . 1 1 60 60 VAL HA H 1 5.18 0.03 . 1 . . . 1 60 VAL HA . 18404 1 649 . 1 1 60 60 VAL HB H 1 2.48 0.03 . 1 . . . 1 60 VAL HB . 18404 1 650 . 1 1 60 60 VAL HG11 H 1 0.37 0.03 . 1 . . . 1 60 VAL HG11 . 18404 1 651 . 1 1 60 60 VAL HG12 H 1 0.37 0.03 . 1 . . . 1 60 VAL HG12 . 18404 1 652 . 1 1 60 60 VAL HG13 H 1 0.37 0.03 . 1 . . . 1 60 VAL HG13 . 18404 1 653 . 1 1 60 60 VAL HG21 H 1 0.58 0.03 . 1 . . . 1 60 VAL HG21 . 18404 1 654 . 1 1 60 60 VAL HG22 H 1 0.58 0.03 . 1 . . . 1 60 VAL HG22 . 18404 1 655 . 1 1 60 60 VAL HG23 H 1 0.58 0.03 . 1 . . . 1 60 VAL HG23 . 18404 1 656 . 1 1 60 60 VAL C C 13 174.65 0.1 . 1 . . . 1 60 VAL C . 18404 1 657 . 1 1 60 60 VAL CA C 13 58.45 0.5 . 1 . . . 1 60 VAL CA . 18404 1 658 . 1 1 60 60 VAL CB C 13 32.91 0.5 . 1 . . . 1 60 VAL CB . 18404 1 659 . 1 1 60 60 VAL CG1 C 13 21.43 0.5 . 1 . . . 1 60 VAL CG1 . 18404 1 660 . 1 1 60 60 VAL CG2 C 13 18.55 0.5 . 1 . . . 1 60 VAL CG2 . 18404 1 661 . 1 1 60 60 VAL N N 15 111.10 0.25 . 1 . . . 1 60 VAL N . 18404 1 662 . 1 1 61 61 ILE H H 1 9.27 0.03 . 1 . . . 1 61 ILE H . 18404 1 663 . 1 1 61 61 ILE HA H 1 4.38 0.03 . 1 . . . 1 61 ILE HA . 18404 1 664 . 1 1 61 61 ILE HB H 1 1.77 0.03 . 1 . . . 1 61 ILE HB . 18404 1 665 . 1 1 61 61 ILE HG12 H 1 1.02 0.03 . 1 . . . 1 61 ILE HG12 . 18404 1 666 . 1 1 61 61 ILE HG13 H 1 1.36 0.03 . 1 . . . 1 61 ILE HG13 . 18404 1 667 . 1 1 61 61 ILE HG21 H 1 0.90 0.03 . 1 . . . 1 61 ILE HG21 . 18404 1 668 . 1 1 61 61 ILE HG22 H 1 0.90 0.03 . 1 . . . 1 61 ILE HG22 . 18404 1 669 . 1 1 61 61 ILE HG23 H 1 0.90 0.03 . 1 . . . 1 61 ILE HG23 . 18404 1 670 . 1 1 61 61 ILE HD11 H 1 0.77 0.03 . 1 . . . 1 61 ILE HD11 . 18404 1 671 . 1 1 61 61 ILE HD12 H 1 0.77 0.03 . 1 . . . 1 61 ILE HD12 . 18404 1 672 . 1 1 61 61 ILE HD13 H 1 0.77 0.03 . 1 . . . 1 61 ILE HD13 . 18404 1 673 . 1 1 61 61 ILE C C 13 175.71 0.1 . 1 . . . 1 61 ILE C . 18404 1 674 . 1 1 61 61 ILE CA C 13 60.09 0.5 . 1 . . . 1 61 ILE CA . 18404 1 675 . 1 1 61 61 ILE CB C 13 41.48 0.5 . 1 . . . 1 61 ILE CB . 18404 1 676 . 1 1 61 61 ILE CG1 C 13 27.63 0.5 . 1 . . . 1 61 ILE CG1 . 18404 1 677 . 1 1 61 61 ILE CG2 C 13 17.44 0.5 . 1 . . . 1 61 ILE CG2 . 18404 1 678 . 1 1 61 61 ILE CD1 C 13 12.40 0.5 . 1 . . . 1 61 ILE CD1 . 18404 1 679 . 1 1 61 61 ILE N N 15 121.46 0.25 . 1 . . . 1 61 ILE N . 18404 1 680 . 1 1 62 62 GLU H H 1 9.62 0.03 . 1 . . . 1 62 GLU H . 18404 1 681 . 1 1 62 62 GLU HA H 1 4.64 0.03 . 1 . . . 1 62 GLU HA . 18404 1 682 . 1 1 62 62 GLU HB2 H 1 1.57 0.03 . 2 . . . 1 62 GLU HB2 . 18404 1 683 . 1 1 62 62 GLU HB3 H 1 2.12 0.03 . 2 . . . 1 62 GLU HB3 . 18404 1 684 . 1 1 62 62 GLU C C 13 176.78 0.1 . 1 . . . 1 62 GLU C . 18404 1 685 . 1 1 62 62 GLU CA C 13 57.51 0.5 . 1 . . . 1 62 GLU CA . 18404 1 686 . 1 1 62 62 GLU CB C 13 28.23 0.5 . 1 . . . 1 62 GLU CB . 18404 1 687 . 1 1 62 62 GLU CG C 13 36.82 0.5 . 1 . . . 1 62 GLU CG . 18404 1 688 . 1 1 62 62 GLU N N 15 128.49 0.25 . 1 . . . 1 62 GLU N . 18404 1 689 . 1 1 63 63 VAL H H 1 8.07 0.03 . 1 . . . 1 63 VAL H . 18404 1 690 . 1 1 63 63 VAL HA H 1 5.40 0.03 . 1 . . . 1 63 VAL HA . 18404 1 691 . 1 1 63 63 VAL HB H 1 1.89 0.03 . 1 . . . 1 63 VAL HB . 18404 1 692 . 1 1 63 63 VAL HG11 H 1 1.10 0.03 . 1 . . . 1 63 VAL HG11 . 18404 1 693 . 1 1 63 63 VAL HG12 H 1 1.10 0.03 . 1 . . . 1 63 VAL HG12 . 18404 1 694 . 1 1 63 63 VAL HG13 H 1 1.10 0.03 . 1 . . . 1 63 VAL HG13 . 18404 1 695 . 1 1 63 63 VAL HG21 H 1 0.77 0.03 . 1 . . . 1 63 VAL HG21 . 18404 1 696 . 1 1 63 63 VAL HG22 H 1 0.77 0.03 . 1 . . . 1 63 VAL HG22 . 18404 1 697 . 1 1 63 63 VAL HG23 H 1 0.77 0.03 . 1 . . . 1 63 VAL HG23 . 18404 1 698 . 1 1 63 63 VAL C C 13 176.20 0.1 . 1 . . . 1 63 VAL C . 18404 1 699 . 1 1 63 63 VAL CA C 13 58.65 0.5 . 1 . . . 1 63 VAL CA . 18404 1 700 . 1 1 63 63 VAL CB C 13 37.77 0.5 . 1 . . . 1 63 VAL CB . 18404 1 701 . 1 1 63 63 VAL CG1 C 13 22.58 0.5 . 1 . . . 1 63 VAL CG1 . 18404 1 702 . 1 1 63 63 VAL CG2 C 13 19.49 0.5 . 1 . . . 1 63 VAL CG2 . 18404 1 703 . 1 1 63 63 VAL N N 15 119.97 0.25 . 1 . . . 1 63 VAL N . 18404 1 704 . 1 1 64 64 THR H H 1 8.71 0.03 . 1 . . . 1 64 THR H . 18404 1 705 . 1 1 64 64 THR HA H 1 4.57 0.03 . 1 . . . 1 64 THR HA . 18404 1 706 . 1 1 64 64 THR HB H 1 4.09 0.03 . 1 . . . 1 64 THR HB . 18404 1 707 . 1 1 64 64 THR HG21 H 1 1.25 0.03 . 1 . . . 1 64 THR HG21 . 18404 1 708 . 1 1 64 64 THR HG22 H 1 1.25 0.03 . 1 . . . 1 64 THR HG22 . 18404 1 709 . 1 1 64 64 THR HG23 H 1 1.25 0.03 . 1 . . . 1 64 THR HG23 . 18404 1 710 . 1 1 64 64 THR C C 13 176.51 0.1 . 1 . . . 1 64 THR C . 18404 1 711 . 1 1 64 64 THR CA C 13 60.82 0.5 . 1 . . . 1 64 THR CA . 18404 1 712 . 1 1 64 64 THR CB C 13 71.53 0.5 . 1 . . . 1 64 THR CB . 18404 1 713 . 1 1 64 64 THR CG2 C 13 22.15 0.5 . 1 . . . 1 64 THR CG2 . 18404 1 714 . 1 1 64 64 THR N N 15 110.10 0.25 . 1 . . . 1 64 THR N . 18404 1 715 . 1 1 65 65 SER H H 1 8.87 0.03 . 1 . . . 1 65 SER H . 18404 1 716 . 1 1 65 65 SER HA H 1 2.74 0.03 . 1 . . . 1 65 SER HA . 18404 1 717 . 1 1 65 65 SER HB2 H 1 3.51 0.03 . 2 . . . 1 65 SER HB2 . 18404 1 718 . 1 1 65 65 SER C C 13 174.30 0.5 . 9 . . . 1 65 SER C . 18404 1 719 . 1 1 65 65 SER CA C 13 60.74 0.5 . 1 . . . 1 65 SER CA . 18404 1 720 . 1 1 65 65 SER CB C 13 62.19 0.5 . 1 . . . 1 65 SER CB . 18404 1 721 . 1 1 65 65 SER N N 15 113.36 0.25 . 1 . . . 1 65 SER N . 18404 1 722 . 1 1 66 66 ASN H H 1 7.37 0.03 . 1 . . . 1 66 ASN H . 18404 1 723 . 1 1 66 66 ASN HA H 1 4.72 0.03 . 1 . . . 1 66 ASN HA . 18404 1 724 . 1 1 66 66 ASN HB2 H 1 2.92 0.03 . 1 . . . 1 66 ASN HB2 . 18404 1 725 . 1 1 66 66 ASN HB3 H 1 2.69 0.03 . 1 . . . 1 66 ASN HB3 . 18404 1 726 . 1 1 66 66 ASN HD21 H 1 7.52 0.03 . 1 . . . 1 66 ASN HD21 . 18404 1 727 . 1 1 66 66 ASN HD22 H 1 6.82 0.03 . 1 . . . 1 66 ASN HD22 . 18404 1 728 . 1 1 66 66 ASN C C 13 176.61 0.1 . 1 . . . 1 66 ASN C . 18404 1 729 . 1 1 66 66 ASN CA C 13 51.84 0.5 . 1 . . . 1 66 ASN CA . 18404 1 730 . 1 1 66 66 ASN CB C 13 38.83 0.5 . 1 . . . 1 66 ASN CB . 18404 1 731 . 1 1 66 66 ASN CG C 13 177.24 0.1 . 1 . . . 1 66 ASN CG . 18404 1 732 . 1 1 66 66 ASN N N 15 115.50 0.25 . 1 . . . 1 66 ASN N . 18404 1 733 . 1 1 66 66 ASN ND2 N 15 110.00 0.25 . 1 . . . 1 66 ASN ND2 . 18404 1 734 . 1 1 67 67 GLY H H 1 8.21 0.03 . 1 . . . 1 67 GLY H . 18404 1 735 . 1 1 67 67 GLY HA2 H 1 4.22 0.03 . 1 . . . 1 67 GLY HA2 . 18404 1 736 . 1 1 67 67 GLY HA3 H 1 3.21 0.03 . 1 . . . 1 67 GLY HA3 . 18404 1 737 . 1 1 67 67 GLY C C 13 173.18 0.1 . 1 . . . 1 67 GLY C . 18404 1 738 . 1 1 67 67 GLY CA C 13 45.54 0.5 . 1 . . . 1 67 GLY CA . 18404 1 739 . 1 1 67 67 GLY N N 15 108.58 0.25 . 1 . . . 1 67 GLY N . 18404 1 740 . 1 1 68 68 THR H H 1 7.41 0.03 . 1 . . . 1 68 THR H . 18404 1 741 . 1 1 68 68 THR HA H 1 4.15 0.03 . 1 . . . 1 68 THR HA . 18404 1 742 . 1 1 68 68 THR HB H 1 4.34 0.03 . 1 . . . 1 68 THR HB . 18404 1 743 . 1 1 68 68 THR HG21 H 1 1.18 0.03 . 1 . . . 1 68 THR HG21 . 18404 1 744 . 1 1 68 68 THR HG22 H 1 1.18 0.03 . 1 . . . 1 68 THR HG22 . 18404 1 745 . 1 1 68 68 THR HG23 H 1 1.18 0.03 . 1 . . . 1 68 THR HG23 . 18404 1 746 . 1 1 68 68 THR C C 13 174.05 0.1 . 1 . . . 1 68 THR C . 18404 1 747 . 1 1 68 68 THR CA C 13 62.76 0.5 . 1 . . . 1 68 THR CA . 18404 1 748 . 1 1 68 68 THR CB C 13 69.38 0.5 . 1 . . . 1 68 THR CB . 18404 1 749 . 1 1 68 68 THR CG2 C 13 21.39 0.5 . 1 . . . 1 68 THR CG2 . 18404 1 750 . 1 1 68 68 THR N N 15 117.05 0.25 . 1 . . . 1 68 THR N . 18404 1 751 . 1 1 69 69 ARG H H 1 8.84 0.03 . 1 . . . 1 69 ARG H . 18404 1 752 . 1 1 69 69 ARG HA H 1 4.56 0.03 . 1 . . . 1 69 ARG HA . 18404 1 753 . 1 1 69 69 ARG HB2 H 1 0.84 0.03 . 2 . . . 1 69 ARG HB2 . 18404 1 754 . 1 1 69 69 ARG HG2 H 1 1.71 0.03 . 2 . . . 1 69 ARG HG2 . 18404 1 755 . 1 1 69 69 ARG HD2 H 1 3.18 0.03 . 2 . . . 1 69 ARG HD2 . 18404 1 756 . 1 1 69 69 ARG C C 13 177.27 0.1 . 1 . . . 1 69 ARG C . 18404 1 757 . 1 1 69 69 ARG CA C 13 57.35 0.5 . 1 . . . 1 69 ARG CA . 18404 1 758 . 1 1 69 69 ARG CB C 13 30.63 0.5 . 1 . . . 1 69 ARG CB . 18404 1 759 . 1 1 69 69 ARG CG C 13 27.94 0.5 . 1 . . . 1 69 ARG CG . 18404 1 760 . 1 1 69 69 ARG CD C 13 43.59 0.5 . 1 . . . 1 69 ARG CD . 18404 1 761 . 1 1 69 69 ARG N N 15 126.83 0.25 . 1 . . . 1 69 ARG N . 18404 1 762 . 1 1 70 70 THR H H 1 7.63 0.03 . 1 . . . 1 70 THR H . 18404 1 763 . 1 1 70 70 THR HA H 1 4.43 0.03 . 1 . . . 1 70 THR HA . 18404 1 764 . 1 1 70 70 THR HB H 1 4.54 0.03 . 1 . . . 1 70 THR HB . 18404 1 765 . 1 1 70 70 THR HG21 H 1 1.02 0.03 . 1 . . . 1 70 THR HG21 . 18404 1 766 . 1 1 70 70 THR HG22 H 1 1.02 0.03 . 1 . . . 1 70 THR HG22 . 18404 1 767 . 1 1 70 70 THR HG23 H 1 1.02 0.03 . 1 . . . 1 70 THR HG23 . 18404 1 768 . 1 1 70 70 THR C C 13 175.99 0.1 . 1 . . . 1 70 THR C . 18404 1 769 . 1 1 70 70 THR CA C 13 61.01 0.5 . 1 . . . 1 70 THR CA . 18404 1 770 . 1 1 70 70 THR CB C 13 68.98 0.5 . 1 . . . 1 70 THR CB . 18404 1 771 . 1 1 70 70 THR CG2 C 13 21.05 0.5 . 1 . . . 1 70 THR CG2 . 18404 1 772 . 1 1 70 70 THR N N 15 116.65 0.25 . 1 . . . 1 70 THR N . 18404 1 773 . 1 1 71 71 SER H H 1 8.33 0.03 . 1 . . . 1 71 SER H . 18404 1 774 . 1 1 71 71 SER HA H 1 4.32 0.03 . 1 . . . 1 71 SER HA . 18404 1 775 . 1 1 71 71 SER HB2 H 1 3.86 0.03 . 2 . . . 1 71 SER HB2 . 18404 1 776 . 1 1 71 71 SER CA C 13 60.50 0.5 . 1 . . . 1 71 SER CA . 18404 1 777 . 1 1 71 71 SER CB C 13 63.20 0.5 . 1 . . . 1 71 SER CB . 18404 1 778 . 1 1 71 71 SER N N 15 109.90 0.25 . 1 . . . 1 71 SER N . 18404 1 779 . 1 1 72 72 ASP H H 1 8.44 0.03 . 1 . . . 1 72 ASP H . 18404 1 780 . 1 1 72 72 ASP HA H 1 4.47 0.03 . 1 . . . 1 72 ASP HA . 18404 1 781 . 1 1 72 72 ASP HB2 H 1 2.63 0.03 . 2 . . . 1 72 ASP HB2 . 18404 1 782 . 1 1 72 72 ASP C C 13 175.75 0.1 . 1 . . . 1 72 ASP C . 18404 1 783 . 1 1 72 72 ASP CA C 13 55.19 0.5 . 1 . . . 1 72 ASP CA . 18404 1 784 . 1 1 72 72 ASP CB C 13 40.34 0.5 . 1 . . . 1 72 ASP CB . 18404 1 785 . 1 1 72 72 ASP N N 15 118.01 0.25 . 1 . . . 1 72 ASP N . 18404 1 786 . 1 1 73 73 GLN H H 1 7.67 0.03 . 1 . . . 1 73 GLN H . 18404 1 787 . 1 1 73 73 GLN HA H 1 3.67 0.03 . 1 . . . 1 73 GLN HA . 18404 1 788 . 1 1 73 73 GLN HB2 H 1 2.16 0.03 . 2 . . . 1 73 GLN HB2 . 18404 1 789 . 1 1 73 73 GLN C C 13 174.18 0.1 . 1 . . . 1 73 GLN C . 18404 1 790 . 1 1 73 73 GLN CA C 13 55.51 0.5 . 1 . . . 1 73 GLN CA . 18404 1 791 . 1 1 73 73 GLN CB C 13 27.66 0.5 . 1 . . . 1 73 GLN CB . 18404 1 792 . 1 1 73 73 GLN CG C 13 33.65 0.5 . 1 . . . 1 73 GLN CG . 18404 1 793 . 1 1 73 73 GLN N N 15 113.13 0.25 . 1 . . . 1 73 GLN N . 18404 1 794 . 1 1 74 74 VAL H H 1 7.79 0.03 . 1 . . . 1 74 VAL H . 18404 1 795 . 1 1 74 74 VAL HA H 1 4.02 0.03 . 1 . . . 1 74 VAL HA . 18404 1 796 . 1 1 74 74 VAL HB H 1 1.87 0.03 . 1 . . . 1 74 VAL HB . 18404 1 797 . 1 1 74 74 VAL HG11 H 1 1.10 0.03 . 2 . . . 1 74 VAL HG11 . 18404 1 798 . 1 1 74 74 VAL HG12 H 1 1.10 0.03 . 2 . . . 1 74 VAL HG12 . 18404 1 799 . 1 1 74 74 VAL HG13 H 1 1.10 0.03 . 2 . . . 1 74 VAL HG13 . 18404 1 800 . 1 1 74 74 VAL HG21 H 1 0.70 0.03 . 2 . . . 1 74 VAL HG21 . 18404 1 801 . 1 1 74 74 VAL HG22 H 1 0.70 0.03 . 2 . . . 1 74 VAL HG22 . 18404 1 802 . 1 1 74 74 VAL HG23 H 1 0.70 0.03 . 2 . . . 1 74 VAL HG23 . 18404 1 803 . 1 1 74 74 VAL C C 13 174.74 0.1 . 1 . . . 1 74 VAL C . 18404 1 804 . 1 1 74 74 VAL CA C 13 61.21 0.5 . 1 . . . 1 74 VAL CA . 18404 1 805 . 1 1 74 74 VAL CB C 13 32.29 0.5 . 1 . . . 1 74 VAL CB . 18404 1 806 . 1 1 74 74 VAL CG1 C 13 21.14 0.5 . 2 . . . 1 74 VAL CG1 . 18404 1 807 . 1 1 74 74 VAL N N 15 121.78 0.25 . 1 . . . 1 74 VAL N . 18404 1 808 . 1 1 75 75 LEU H H 1 8.02 0.03 . 1 . . . 1 75 LEU H . 18404 1 809 . 1 1 75 75 LEU HA H 1 4.09 0.03 . 1 . . . 1 75 LEU HA . 18404 1 810 . 1 1 75 75 LEU HB2 H 1 1.38 0.03 . 1 . . . 1 75 LEU HB2 . 18404 1 811 . 1 1 75 75 LEU HB3 H 1 1.10 0.03 . 1 . . . 1 75 LEU HB3 . 18404 1 812 . 1 1 75 75 LEU HG H 1 1.47 0.03 . 1 . . . 1 75 LEU HG . 18404 1 813 . 1 1 75 75 LEU HD11 H 1 0.65 0.03 . 2 . . . 1 75 LEU HD11 . 18404 1 814 . 1 1 75 75 LEU HD12 H 1 0.65 0.03 . 2 . . . 1 75 LEU HD12 . 18404 1 815 . 1 1 75 75 LEU HD13 H 1 0.65 0.03 . 2 . . . 1 75 LEU HD13 . 18404 1 816 . 1 1 75 75 LEU C C 13 174.59 0.1 . 1 . . . 1 75 LEU C . 18404 1 817 . 1 1 75 75 LEU CA C 13 55.41 0.5 . 1 . . . 1 75 LEU CA . 18404 1 818 . 1 1 75 75 LEU CB C 13 42.33 0.5 . 1 . . . 1 75 LEU CB . 18404 1 819 . 1 1 75 75 LEU CG C 13 27.07 0.5 . 1 . . . 1 75 LEU CG . 18404 1 820 . 1 1 75 75 LEU CD1 C 13 24.20 0.5 . 2 . . . 1 75 LEU CD1 . 18404 1 821 . 1 1 75 75 LEU CD2 C 13 25.76 0.5 . 2 . . . 1 75 LEU CD2 . 18404 1 822 . 1 1 75 75 LEU N N 15 125.80 0.25 . 1 . . . 1 75 LEU N . 18404 1 823 . 1 1 76 76 GLN H H 1 8.09 0.03 . 1 . . . 1 76 GLN H . 18404 1 824 . 1 1 76 76 GLN HA H 1 4.38 0.03 . 1 . . . 1 76 GLN HA . 18404 1 825 . 1 1 76 76 GLN HB2 H 1 2.28 0.03 . 1 . . . 1 76 GLN HB2 . 18404 1 826 . 1 1 76 76 GLN HB3 H 1 2.16 0.03 . 1 . . . 1 76 GLN HB3 . 18404 1 827 . 1 1 76 76 GLN HG2 H 1 1.87 0.03 . 2 . . . 1 76 GLN HG2 . 18404 1 828 . 1 1 76 76 GLN HE21 H 1 7.54 0.03 . 1 . . . 1 76 GLN HE21 . 18404 1 829 . 1 1 76 76 GLN HE22 H 1 6.74 0.03 . 1 . . . 1 76 GLN HE22 . 18404 1 830 . 1 1 76 76 GLN C C 13 175.05 0.1 . 1 . . . 1 76 GLN C . 18404 1 831 . 1 1 76 76 GLN CA C 13 53.60 0.5 . 1 . . . 1 76 GLN CA . 18404 1 832 . 1 1 76 76 GLN CB C 13 33.12 0.5 . 1 . . . 1 76 GLN CB . 18404 1 833 . 1 1 76 76 GLN CG C 13 31.94 0.5 . 1 . . . 1 76 GLN CG . 18404 1 834 . 1 1 76 76 GLN CD C 13 180.89 0.1 . 1 . . . 1 76 GLN CD . 18404 1 835 . 1 1 76 76 GLN N N 15 117.49 0.25 . 1 . . . 1 76 GLN N . 18404 1 836 . 1 1 76 76 GLN NE2 N 15 112.04 0.25 . 1 . . . 1 76 GLN NE2 . 18404 1 837 . 1 1 77 77 LYS H H 1 8.87 0.03 . 1 . . . 1 77 LYS H . 18404 1 838 . 1 1 77 77 LYS HA H 1 3.77 0.03 . 1 . . . 1 77 LYS HA . 18404 1 839 . 1 1 77 77 LYS HB2 H 1 1.78 0.03 . 2 . . . 1 77 LYS HB2 . 18404 1 840 . 1 1 77 77 LYS HG2 H 1 1.38 0.03 . 2 . . . 1 77 LYS HG2 . 18404 1 841 . 1 1 77 77 LYS HD2 H 1 1.95 0.03 . 2 . . . 1 77 LYS HD2 . 18404 1 842 . 1 1 77 77 LYS HE2 H 1 3.14 0.03 . 2 . . . 1 77 LYS HE2 . 18404 1 843 . 1 1 77 77 LYS C C 13 177.54 0.1 . 1 . . . 1 77 LYS C . 18404 1 844 . 1 1 77 77 LYS CA C 13 58.84 0.5 . 1 . . . 1 77 LYS CA . 18404 1 845 . 1 1 77 77 LYS CB C 13 32.13 0.5 . 1 . . . 1 77 LYS CB . 18404 1 846 . 1 1 77 77 LYS CG C 13 26.02 0.5 . 1 . . . 1 77 LYS CG . 18404 1 847 . 1 1 77 77 LYS CD C 13 29.87 0.5 . 1 . . . 1 77 LYS CD . 18404 1 848 . 1 1 77 77 LYS CE C 13 41.97 0.5 . 1 . . . 1 77 LYS CE . 18404 1 849 . 1 1 77 77 LYS N N 15 123.33 0.25 . 1 . . . 1 77 LYS N . 18404 1 850 . 1 1 78 78 GLY H H 1 9.06 0.03 . 1 . . . 1 78 GLY H . 18404 1 851 . 1 1 78 78 GLY HA2 H 1 4.34 0.03 . 2 . . . 1 78 GLY HA2 . 18404 1 852 . 1 1 78 78 GLY HA3 H 1 3.48 0.03 . 2 . . . 1 78 GLY HA3 . 18404 1 853 . 1 1 78 78 GLY C C 13 174.25 0.1 . 1 . . . 1 78 GLY C . 18404 1 854 . 1 1 78 78 GLY CA C 13 45.26 0.5 . 1 . . . 1 78 GLY CA . 18404 1 855 . 1 1 78 78 GLY N N 15 116.16 0.25 . 1 . . . 1 78 GLY N . 18404 1 856 . 1 1 79 79 GLY H H 1 8.11 0.03 . 1 . . . 1 79 GLY H . 18404 1 857 . 1 1 79 79 GLY HA2 H 1 4.20 0.03 . 2 . . . 1 79 GLY HA2 . 18404 1 858 . 1 1 79 79 GLY HA3 H 1 4.06 0.03 . 2 . . . 1 79 GLY HA3 . 18404 1 859 . 1 1 79 79 GLY C C 13 171.14 0.1 . 1 . . . 1 79 GLY C . 18404 1 860 . 1 1 79 79 GLY CA C 13 43.68 0.5 . 1 . . . 1 79 GLY CA . 18404 1 861 . 1 1 79 79 GLY N N 15 108.19 0.25 . 1 . . . 1 79 GLY N . 18404 1 862 . 1 1 80 80 TYR H H 1 8.47 0.03 . 1 . . . 1 80 TYR H . 18404 1 863 . 1 1 80 80 TYR HA H 1 5.60 0.03 . 1 . . . 1 80 TYR HA . 18404 1 864 . 1 1 80 80 TYR HB2 H 1 2.84 0.03 . 2 . . . 1 80 TYR HB2 . 18404 1 865 . 1 1 80 80 TYR HB3 H 1 2.68 0.03 . 2 . . . 1 80 TYR HB3 . 18404 1 866 . 1 1 80 80 TYR HD1 H 1 6.99 0.03 . 3 . . . 1 80 TYR HD1 . 18404 1 867 . 1 1 80 80 TYR HE1 H 1 7.24 0.03 . 3 . . . 1 80 TYR HE1 . 18404 1 868 . 1 1 80 80 TYR C C 13 174.89 0.1 . 1 . . . 1 80 TYR C . 18404 1 869 . 1 1 80 80 TYR CA C 13 56.97 0.5 . 1 . . . 1 80 TYR CA . 18404 1 870 . 1 1 80 80 TYR CB C 13 42.28 0.5 . 1 . . . 1 80 TYR CB . 18404 1 871 . 1 1 80 80 TYR N N 15 116.01 0.25 . 1 . . . 1 80 TYR N . 18404 1 872 . 1 1 81 81 PHE H H 1 9.68 0.03 . 1 . . . 1 81 PHE H . 18404 1 873 . 1 1 81 81 PHE HA H 1 5.88 0.03 . 1 . . . 1 81 PHE HA . 18404 1 874 . 1 1 81 81 PHE HB2 H 1 2.98 0.03 . 2 . . . 1 81 PHE HB2 . 18404 1 875 . 1 1 81 81 PHE HB3 H 1 2.73 0.03 . 2 . . . 1 81 PHE HB3 . 18404 1 876 . 1 1 81 81 PHE HD2 H 1 6.89 0.03 . 3 . . . 1 81 PHE HD2 . 18404 1 877 . 1 1 81 81 PHE HE2 H 1 6.79 0.03 . 3 . . . 1 81 PHE HE2 . 18404 1 878 . 1 1 81 81 PHE HZ H 1 6.98 0.03 . 1 . . . 1 81 PHE HZ . 18404 1 879 . 1 1 81 81 PHE C C 13 173.01 0.1 . 1 . . . 1 81 PHE C . 18404 1 880 . 1 1 81 81 PHE CA C 13 56.34 0.5 . 1 . . . 1 81 PHE CA . 18404 1 881 . 1 1 81 81 PHE CB C 13 42.13 0.5 . 1 . . . 1 81 PHE CB . 18404 1 882 . 1 1 81 81 PHE N N 15 115.77 0.25 . 1 . . . 1 81 PHE N . 18404 1 883 . 1 1 82 82 VAL H H 1 9.01 0.03 . 1 . . . 1 82 VAL H . 18404 1 884 . 1 1 82 82 VAL HA H 1 5.06 0.03 . 1 . . . 1 82 VAL HA . 18404 1 885 . 1 1 82 82 VAL HB H 1 2.44 0.03 . 1 . . . 1 82 VAL HB . 18404 1 886 . 1 1 82 82 VAL HG11 H 1 0.84 0.03 . 2 . . . 1 82 VAL HG11 . 18404 1 887 . 1 1 82 82 VAL HG12 H 1 0.84 0.03 . 2 . . . 1 82 VAL HG12 . 18404 1 888 . 1 1 82 82 VAL HG13 H 1 0.84 0.03 . 2 . . . 1 82 VAL HG13 . 18404 1 889 . 1 1 82 82 VAL C C 13 176.21 0.1 . 1 . . . 1 82 VAL C . 18404 1 890 . 1 1 82 82 VAL CA C 13 58.54 0.5 . 1 . . . 1 82 VAL CA . 18404 1 891 . 1 1 82 82 VAL CB C 13 33.40 0.5 . 1 . . . 1 82 VAL CB . 18404 1 892 . 1 1 82 82 VAL CG1 C 13 20.36 0.5 . 2 . . . 1 82 VAL CG1 . 18404 1 893 . 1 1 82 82 VAL CG2 C 13 22.14 0.5 . 2 . . . 1 82 VAL CG2 . 18404 1 894 . 1 1 82 82 VAL N N 15 110.50 0.25 . 1 . . . 1 82 VAL N . 18404 1 895 . 1 1 83 83 ILE H H 1 9.48 0.03 . 1 . . . 1 83 ILE H . 18404 1 896 . 1 1 83 83 ILE HA H 1 4.03 0.03 . 1 . . . 1 83 ILE HA . 18404 1 897 . 1 1 83 83 ILE HB H 1 1.89 0.03 . 1 . . . 1 83 ILE HB . 18404 1 898 . 1 1 83 83 ILE HG12 H 1 1.92 0.03 . 2 . . . 1 83 ILE HG12 . 18404 1 899 . 1 1 83 83 ILE HG13 H 1 0.75 0.03 . 2 . . . 1 83 ILE HG13 . 18404 1 900 . 1 1 83 83 ILE HG21 H 1 1.43 0.03 . 1 . . . 1 83 ILE HG21 . 18404 1 901 . 1 1 83 83 ILE HG22 H 1 1.43 0.03 . 1 . . . 1 83 ILE HG22 . 18404 1 902 . 1 1 83 83 ILE HG23 H 1 1.43 0.03 . 1 . . . 1 83 ILE HG23 . 18404 1 903 . 1 1 83 83 ILE HD11 H 1 0.89 0.03 . 1 . . . 1 83 ILE HD11 . 18404 1 904 . 1 1 83 83 ILE HD12 H 1 0.89 0.03 . 1 . . . 1 83 ILE HD12 . 18404 1 905 . 1 1 83 83 ILE HD13 H 1 0.89 0.03 . 1 . . . 1 83 ILE HD13 . 18404 1 906 . 1 1 83 83 ILE C C 13 174.02 0.1 . 1 . . . 1 83 ILE C . 18404 1 907 . 1 1 83 83 ILE CA C 13 61.27 0.5 . 1 . . . 1 83 ILE CA . 18404 1 908 . 1 1 83 83 ILE CB C 13 38.22 0.5 . 1 . . . 1 83 ILE CB . 18404 1 909 . 1 1 83 83 ILE CG1 C 13 29.05 0.5 . 1 . . . 1 83 ILE CG1 . 18404 1 910 . 1 1 83 83 ILE CG2 C 13 15.98 0.5 . 1 . . . 1 83 ILE CG2 . 18404 1 911 . 1 1 83 83 ILE CD1 C 13 11.88 0.5 . 1 . . . 1 83 ILE CD1 . 18404 1 912 . 1 1 83 83 ILE N N 15 125.53 0.25 . 1 . . . 1 83 ILE N . 18404 1 913 . 1 1 84 84 ASN H H 1 7.86 0.03 . 1 . . . 1 84 ASN H . 18404 1 914 . 1 1 84 84 ASN HA H 1 4.58 0.03 . 1 . . . 1 84 ASN HA . 18404 1 915 . 1 1 84 84 ASN HB2 H 1 2.38 0.03 . 1 . . . 1 84 ASN HB2 . 18404 1 916 . 1 1 84 84 ASN HB3 H 1 3.08 0.03 . 1 . . . 1 84 ASN HB3 . 18404 1 917 . 1 1 84 84 ASN HD21 H 1 8.01 0.03 . 1 . . . 1 84 ASN HD21 . 18404 1 918 . 1 1 84 84 ASN HD22 H 1 7.03 0.03 . 1 . . . 1 84 ASN HD22 . 18404 1 919 . 1 1 84 84 ASN C C 13 178.64 0.1 . 1 . . . 1 84 ASN C . 18404 1 920 . 1 1 84 84 ASN CA C 13 50.57 0.5 . 1 . . . 1 84 ASN CA . 18404 1 921 . 1 1 84 84 ASN CB C 13 39.03 0.5 . 1 . . . 1 84 ASN CB . 18404 1 922 . 1 1 84 84 ASN CG C 13 177.25 0.1 . 1 . . . 1 84 ASN CG . 18404 1 923 . 1 1 84 84 ASN N N 15 121.67 0.25 . 1 . . . 1 84 ASN N . 18404 1 924 . 1 1 84 84 ASN ND2 N 15 112.2 0.25 . 1 . . . 1 84 ASN ND2 . 18404 1 925 . 1 1 85 85 PRO HA H 1 4.14 0.03 . 1 . . . 1 85 PRO HA . 18404 1 926 . 1 1 85 85 PRO HB2 H 1 2.33 0.03 . 2 . . . 1 85 PRO HB2 . 18404 1 927 . 1 1 85 85 PRO HG2 H 1 2.15 0.03 . 2 . . . 1 85 PRO HG2 . 18404 1 928 . 1 1 85 85 PRO HG3 H 1 2.03 0.03 . 2 . . . 1 85 PRO HG3 . 18404 1 929 . 1 1 85 85 PRO HD2 H 1 3.82 0.03 . 2 . . . 1 85 PRO HD2 . 18404 1 930 . 1 1 85 85 PRO CA C 13 64.96 0.5 . 1 . . . 1 85 PRO CA . 18404 1 931 . 1 1 85 85 PRO CB C 13 32.81 0.5 . 1 . . . 1 85 PRO CB . 18404 1 932 . 1 1 85 85 PRO CG C 13 28.12 0.5 . 1 . . . 1 85 PRO CG . 18404 1 933 . 1 1 85 85 PRO CD C 13 50.81 0.5 . 1 . . . 1 85 PRO CD . 18404 1 934 . 1 1 86 86 ASN H H 1 7.97 0.03 . 1 . . . 1 86 ASN H . 18404 1 935 . 1 1 86 86 ASN HA H 1 4.49 0.03 . 1 . . . 1 86 ASN HA . 18404 1 936 . 1 1 86 86 ASN HB2 H 1 2.67 0.03 . 1 . . . 1 86 ASN HB2 . 18404 1 937 . 1 1 86 86 ASN HB3 H 1 2.82 0.03 . 1 . . . 1 86 ASN HB3 . 18404 1 938 . 1 1 86 86 ASN HD21 H 1 7.78 0.03 . 1 . . . 1 86 ASN HD21 . 18404 1 939 . 1 1 86 86 ASN HD22 H 1 7.08 0.03 . 1 . . . 1 86 ASN HD22 . 18404 1 940 . 1 1 86 86 ASN C C 13 175.95 0.1 . 1 . . . 1 86 ASN C . 18404 1 941 . 1 1 86 86 ASN CA C 13 54.51 0.5 . 1 . . . 1 86 ASN CA . 18404 1 942 . 1 1 86 86 ASN CB C 13 37.52 0.5 . 1 . . . 1 86 ASN CB . 18404 1 943 . 1 1 86 86 ASN CG C 13 176.98 0.1 . 1 . . . 1 86 ASN CG . 18404 1 944 . 1 1 86 86 ASN N N 15 112.68 0.25 . 1 . . . 1 86 ASN N . 18404 1 945 . 1 1 86 86 ASN ND2 N 15 114.00 0.25 . 1 . . . 1 86 ASN ND2 . 18404 1 946 . 1 1 87 87 ASN H H 1 7.99 0.03 . 1 . . . 1 87 ASN H . 18404 1 947 . 1 1 87 87 ASN HA H 1 5.24 0.03 . 1 . . . 1 87 ASN HA . 18404 1 948 . 1 1 87 87 ASN HB2 H 1 2.90 0.03 . 1 . . . 1 87 ASN HB2 . 18404 1 949 . 1 1 87 87 ASN HB3 H 1 3.66 0.03 . 1 . . . 1 87 ASN HB3 . 18404 1 950 . 1 1 87 87 ASN HD21 H 1 8.89 0.03 . 1 . . . 1 87 ASN HD21 . 18404 1 951 . 1 1 87 87 ASN HD22 H 1 6.71 0.03 . 1 . . . 1 87 ASN HD22 . 18404 1 952 . 1 1 87 87 ASN C C 13 174.41 0.1 . 1 . . . 1 87 ASN C . 18404 1 953 . 1 1 87 87 ASN CA C 13 52.74 0.5 . 1 . . . 1 87 ASN CA . 18404 1 954 . 1 1 87 87 ASN CB C 13 37.35 0.5 . 1 . . . 1 87 ASN CB . 18404 1 955 . 1 1 87 87 ASN CG C 13 176.70 0.1 . 1 . . . 1 87 ASN CG . 18404 1 956 . 1 1 87 87 ASN N N 15 118.58 0.25 . 1 . . . 1 87 ASN N . 18404 1 957 . 1 1 87 87 ASN ND2 N 15 111.10 0.25 . 1 . . . 1 87 ASN ND2 . 18404 1 958 . 1 1 88 88 VAL H H 1 6.95 0.03 . 1 . . . 1 88 VAL H . 18404 1 959 . 1 1 88 88 VAL HA H 1 3.93 0.03 . 1 . . . 1 88 VAL HA . 18404 1 960 . 1 1 88 88 VAL HB H 1 1.90 0.03 . 1 . . . 1 88 VAL HB . 18404 1 961 . 1 1 88 88 VAL HG11 H 1 0.41 0.03 . 1 . . . 1 88 VAL HG11 . 18404 1 962 . 1 1 88 88 VAL HG12 H 1 0.41 0.03 . 1 . . . 1 88 VAL HG12 . 18404 1 963 . 1 1 88 88 VAL HG13 H 1 0.41 0.03 . 1 . . . 1 88 VAL HG13 . 18404 1 964 . 1 1 88 88 VAL HG21 H 1 0.75 0.03 . 1 . . . 1 88 VAL HG21 . 18404 1 965 . 1 1 88 88 VAL HG22 H 1 0.75 0.03 . 1 . . . 1 88 VAL HG22 . 18404 1 966 . 1 1 88 88 VAL HG23 H 1 0.75 0.03 . 1 . . . 1 88 VAL HG23 . 18404 1 967 . 1 1 88 88 VAL C C 13 174.95 0.1 . 1 . . . 1 88 VAL C . 18404 1 968 . 1 1 88 88 VAL CA C 13 61.72 0.5 . 1 . . . 1 88 VAL CA . 18404 1 969 . 1 1 88 88 VAL CB C 13 31.93 0.5 . 1 . . . 1 88 VAL CB . 18404 1 970 . 1 1 88 88 VAL CG1 C 13 21.51 0.5 . 1 . . . 1 88 VAL CG1 . 18404 1 971 . 1 1 88 88 VAL CG2 C 13 24.57 0.5 . 1 . . . 1 88 VAL CG2 . 18404 1 972 . 1 1 88 88 VAL N N 15 119.0 0.25 . 1 . . . 1 88 VAL N . 18404 1 973 . 1 1 89 89 LYS H H 1 9.02 0.03 . 1 . . . 1 89 LYS H . 18404 1 974 . 1 1 89 89 LYS HA H 1 4.12 0.03 . 1 . . . 1 89 LYS HA . 18404 1 975 . 1 1 89 89 LYS HB2 H 1 1.73 0.03 . 2 . . . 1 89 LYS HB2 . 18404 1 976 . 1 1 89 89 LYS HG2 H 1 1.34 0.03 . 2 . . . 1 89 LYS HG2 . 18404 1 977 . 1 1 89 89 LYS HD2 H 1 1.58 0.03 . 2 . . . 1 89 LYS HD2 . 18404 1 978 . 1 1 89 89 LYS HE2 H 1 2.91 0.03 . 2 . . . 1 89 LYS HE2 . 18404 1 979 . 1 1 89 89 LYS C C 13 177.74 0.1 . 1 . . . 1 89 LYS C . 18404 1 980 . 1 1 89 89 LYS CA C 13 57.84 0.5 . 1 . . . 1 89 LYS CA . 18404 1 981 . 1 1 89 89 LYS CB C 13 32.23 0.5 . 1 . . . 1 89 LYS CB . 18404 1 982 . 1 1 89 89 LYS CG C 13 24.77 0.5 . 1 . . . 1 89 LYS CG . 18404 1 983 . 1 1 89 89 LYS CD C 13 28.63 0.5 . 1 . . . 1 89 LYS CD . 18404 1 984 . 1 1 89 89 LYS CE C 13 41.88 0.5 . 1 . . . 1 89 LYS CE . 18404 1 985 . 1 1 89 89 LYS N N 15 128.06 0.25 . 1 . . . 1 89 LYS N . 18404 1 986 . 1 1 90 90 SER H H 1 7.36 0.03 . 1 . . . 1 90 SER H . 18404 1 987 . 1 1 90 90 SER HA H 1 4.38 0.03 . 1 . . . 1 90 SER HA . 18404 1 988 . 1 1 90 90 SER HB2 H 1 3.72 0.03 . 1 . . . 1 90 SER HB2 . 18404 1 989 . 1 1 90 90 SER HB3 H 1 3.85 0.03 . 1 . . . 1 90 SER HB3 . 18404 1 990 . 1 1 90 90 SER C C 13 171.84 0.1 . 1 . . . 1 90 SER C . 18404 1 991 . 1 1 90 90 SER CA C 13 58.10 0.5 . 1 . . . 1 90 SER CA . 18404 1 992 . 1 1 90 90 SER CB C 13 64.41 0.5 . 1 . . . 1 90 SER CB . 18404 1 993 . 1 1 90 90 SER N N 15 108.12 0.25 . 1 . . . 1 90 SER N . 18404 1 994 . 1 1 91 91 VAL H H 1 8.44 0.03 . 1 . . . 1 91 VAL H . 18404 1 995 . 1 1 91 91 VAL HA H 1 4.20 0.03 . 1 . . . 1 91 VAL HA . 18404 1 996 . 1 1 91 91 VAL HB H 1 1.80 0.03 . 1 . . . 1 91 VAL HB . 18404 1 997 . 1 1 91 91 VAL HG11 H 1 0.67 0.03 . 2 . . . 1 91 VAL HG11 . 18404 1 998 . 1 1 91 91 VAL HG12 H 1 0.67 0.03 . 2 . . . 1 91 VAL HG12 . 18404 1 999 . 1 1 91 91 VAL HG13 H 1 0.67 0.03 . 2 . . . 1 91 VAL HG13 . 18404 1 1000 . 1 1 91 91 VAL C C 13 175.37 0.1 . 1 . . . 1 91 VAL C . 18404 1 1001 . 1 1 91 91 VAL CA C 13 62.37 0.5 . 1 . . . 1 91 VAL CA . 18404 1 1002 . 1 1 91 91 VAL CB C 13 34.58 0.5 . 1 . . . 1 91 VAL CB . 18404 1 1003 . 1 1 91 91 VAL CG1 C 13 22.08 0.5 . 2 . . . 1 91 VAL CG1 . 18404 1 1004 . 1 1 91 91 VAL CG2 C 13 23.42 0.5 . 2 . . . 1 91 VAL CG2 . 18404 1 1005 . 1 1 91 91 VAL N N 15 121.34 0.25 . 1 . . . 1 91 VAL N . 18404 1 1006 . 1 1 92 92 GLY H H 1 8.46 0.03 . 1 . . . 1 92 GLY H . 18404 1 1007 . 1 1 92 92 GLY HA2 H 1 3.95 0.03 . 2 . . . 1 92 GLY HA2 . 18404 1 1008 . 1 1 92 92 GLY HA3 H 1 4.18 0.03 . 2 . . . 1 92 GLY HA3 . 18404 1 1009 . 1 1 92 92 GLY C C 13 172.44 0.1 . 1 . . . 1 92 GLY C . 18404 1 1010 . 1 1 92 92 GLY CA C 13 44.79 0.5 . 1 . . . 1 92 GLY CA . 18404 1 1011 . 1 1 92 92 GLY N N 15 114.06 0.25 . 1 . . . 1 92 GLY N . 18404 1 1012 . 1 1 93 93 THR H H 1 8.24 0.03 . 1 . . . 1 93 THR H . 18404 1 1013 . 1 1 93 93 THR HA H 1 4.40 0.03 . 1 . . . 1 93 THR HA . 18404 1 1014 . 1 1 93 93 THR HB H 1 4.07 0.03 . 1 . . . 1 93 THR HB . 18404 1 1015 . 1 1 93 93 THR HG21 H 1 1.38 0.03 . 1 . . . 1 93 THR HG21 . 18404 1 1016 . 1 1 93 93 THR HG22 H 1 1.38 0.03 . 1 . . . 1 93 THR HG22 . 18404 1 1017 . 1 1 93 93 THR HG23 H 1 1.38 0.03 . 1 . . . 1 93 THR HG23 . 18404 1 1018 . 1 1 93 93 THR C C 13 180.58 0.1 . 1 . . . 1 93 THR C . 18404 1 1019 . 1 1 93 93 THR CA C 13 61.19 0.5 . 1 . . . 1 93 THR CA . 18404 1 1020 . 1 1 93 93 THR CB C 13 70.02 0.5 . 1 . . . 1 93 THR CB . 18404 1 1021 . 1 1 93 93 THR CG2 C 13 21.58 0.5 . 1 . . . 1 93 THR CG2 . 18404 1 1022 . 1 1 93 93 THR N N 15 115.52 0.25 . 1 . . . 1 93 THR N . 18404 1 1023 . 1 1 94 94 PRO HA H 1 4.89 0.03 . 1 . . . 1 94 PRO HA . 18404 1 1024 . 1 1 94 94 PRO HB2 H 1 2.17 0.03 . 1 . . . 1 94 PRO HB2 . 18404 1 1025 . 1 1 94 94 PRO HB3 H 1 1.94 0.03 . 1 . . . 1 94 PRO HB3 . 18404 1 1026 . 1 1 94 94 PRO HG2 H 1 1.10 0.03 . 2 . . . 1 94 PRO HG2 . 18404 1 1027 . 1 1 94 94 PRO HD2 H 1 3.82 0.03 . 2 . . . 1 94 PRO HD2 . 18404 1 1028 . 1 1 94 94 PRO HD3 H 1 4.11 0.03 . 2 . . . 1 94 PRO HD3 . 18404 1 1029 . 1 1 94 94 PRO C C 13 176.34 0.1 . 1 . . . 1 94 PRO C . 18404 1 1030 . 1 1 94 94 PRO CA C 13 62.68 0.5 . 1 . . . 1 94 PRO CA . 18404 1 1031 . 1 1 94 94 PRO CB C 13 32.46 0.5 . 1 . . . 1 94 PRO CB . 18404 1 1032 . 1 1 94 94 PRO CG C 13 28.34 0.5 . 1 . . . 1 94 PRO CG . 18404 1 1033 . 1 1 94 94 PRO CD C 13 51.32 0.5 . 1 . . . 1 94 PRO CD . 18404 1 1034 . 1 1 95 95 MET H H 1 9.59 0.03 . 1 . . . 1 95 MET H . 18404 1 1035 . 1 1 95 95 MET HA H 1 4.85 0.03 . 1 . . . 1 95 MET HA . 18404 1 1036 . 1 1 95 95 MET HB2 H 1 2.17 0.03 . 2 . . . 1 95 MET HB2 . 18404 1 1037 . 1 1 95 95 MET HG2 H 1 2.75 0.03 . 2 . . . 1 95 MET HG2 . 18404 1 1038 . 1 1 95 95 MET C C 13 175.41 0.1 . 1 . . . 1 95 MET C . 18404 1 1039 . 1 1 95 95 MET CA C 13 53.50 0.5 . 1 . . . 1 95 MET CA . 18404 1 1040 . 1 1 95 95 MET CB C 13 35.85 0.5 . 1 . . . 1 95 MET CB . 18404 1 1041 . 1 1 95 95 MET CG C 13 31.24 0.5 . 1 . . . 1 95 MET CG . 18404 1 1042 . 1 1 95 95 MET N N 15 121.39 0.25 . 1 . . . 1 95 MET N . 18404 1 1043 . 1 1 96 96 LYS H H 1 8.69 0.03 . 1 . . . 1 96 LYS H . 18404 1 1044 . 1 1 96 96 LYS HA H 1 4.53 0.03 . 1 . . . 1 96 LYS HA . 18404 1 1045 . 1 1 96 96 LYS HB2 H 1 1.75 0.03 . 2 . . . 1 96 LYS HB2 . 18404 1 1046 . 1 1 96 96 LYS HG2 H 1 1.38 0.03 . 2 . . . 1 96 LYS HG2 . 18404 1 1047 . 1 1 96 96 LYS HD2 H 1 1.60 0.03 . 2 . . . 1 96 LYS HD2 . 18404 1 1048 . 1 1 96 96 LYS HE2 H 1 2.93 0.03 . 2 . . . 1 96 LYS HE2 . 18404 1 1049 . 1 1 96 96 LYS C C 13 177.48 0.1 . 1 . . . 1 96 LYS C . 18404 1 1050 . 1 1 96 96 LYS CA C 13 56.94 0.5 . 1 . . . 1 96 LYS CA . 18404 1 1051 . 1 1 96 96 LYS CB C 13 32.36 0.5 . 1 . . . 1 96 LYS CB . 18404 1 1052 . 1 1 96 96 LYS CG C 13 24.80 0.5 . 1 . . . 1 96 LYS CG . 18404 1 1053 . 1 1 96 96 LYS CD C 13 29.10 0.5 . 1 . . . 1 96 LYS CD . 18404 1 1054 . 1 1 96 96 LYS CE C 13 41.97 0.5 . 1 . . . 1 96 LYS CE . 18404 1 1055 . 1 1 96 96 LYS N N 15 124.57 0.25 . 1 . . . 1 96 LYS N . 18404 1 1056 . 1 1 97 97 GLY H H 1 8.83 0.03 . 1 . . . 1 97 GLY H . 18404 1 1057 . 1 1 97 97 GLY HA2 H 1 4.45 0.03 . 2 . . . 1 97 GLY HA2 . 18404 1 1058 . 1 1 97 97 GLY HA3 H 1 3.71 0.03 . 2 . . . 1 97 GLY HA3 . 18404 1 1059 . 1 1 97 97 GLY C C 13 173.93 0.1 . 1 . . . 1 97 GLY C . 18404 1 1060 . 1 1 97 97 GLY CA C 13 44.90 0.5 . 1 . . . 1 97 GLY CA . 18404 1 1061 . 1 1 97 97 GLY N N 15 113.59 0.25 . 1 . . . 1 97 GLY N . 18404 1 1062 . 1 1 98 98 SER H H 1 8.70 0.03 . 1 . . . 1 98 SER H . 18404 1 1063 . 1 1 98 98 SER HA H 1 4.25 0.03 . 1 . . . 1 98 SER HA . 18404 1 1064 . 1 1 98 98 SER HB2 H 1 3.63 0.03 . 1 . . . 1 98 SER HB2 . 18404 1 1065 . 1 1 98 98 SER HB3 H 1 3.73 0.03 . 1 . . . 1 98 SER HB3 . 18404 1 1066 . 1 1 98 98 SER C C 13 176.21 0.1 . 1 . . . 1 98 SER C . 18404 1 1067 . 1 1 98 98 SER CA C 13 60.26 0.5 . 1 . . . 1 98 SER CA . 18404 1 1068 . 1 1 98 98 SER CB C 13 62.84 0.5 . 1 . . . 1 98 SER CB . 18404 1 1069 . 1 1 98 98 SER N N 15 122.45 0.25 . 1 . . . 1 98 SER N . 18404 1 1070 . 1 1 99 99 GLY HA2 H 1 3.97 0.03 . 2 . . . 1 99 GLY HA2 . 18404 1 1071 . 1 1 99 99 GLY C C 13 174.90 0.1 . 1 . . . 1 99 GLY C . 18404 1 1072 . 1 1 99 99 GLY CA C 13 45.98 0.5 . 1 . . . 1 99 GLY CA . 18404 1 1073 . 1 1 100 100 GLY H H 1 8.45 0.03 . 1 . . . 1 100 GLY H . 18404 1 1074 . 1 1 100 100 GLY HA2 H 1 4.16 0.03 . 2 . . . 1 100 GLY HA2 . 18404 1 1075 . 1 1 100 100 GLY HA3 H 1 3.82 0.03 . 2 . . . 1 100 GLY HA3 . 18404 1 1076 . 1 1 100 100 GLY C C 13 173.86 0.1 . 1 . . . 1 100 GLY C . 18404 1 1077 . 1 1 100 100 GLY CA C 13 45.53 0.5 . 1 . . . 1 100 GLY CA . 18404 1 1078 . 1 1 100 100 GLY N N 15 107.44 0.25 . 1 . . . 1 100 GLY N . 18404 1 1079 . 1 1 101 101 LEU H H 1 7.21 0.03 . 1 . . . 1 101 LEU H . 18404 1 1080 . 1 1 101 101 LEU HA H 1 4.27 0.03 . 1 . . . 1 101 LEU HA . 18404 1 1081 . 1 1 101 101 LEU HB2 H 1 1.61 0.03 . 1 . . . 1 101 LEU HB2 . 18404 1 1082 . 1 1 101 101 LEU HB3 H 1 0.98 0.03 . 1 . . . 1 101 LEU HB3 . 18404 1 1083 . 1 1 101 101 LEU HG H 1 1.63 0.03 . 1 . . . 1 101 LEU HG . 18404 1 1084 . 1 1 101 101 LEU HD11 H 1 0.80 0.03 . 1 . . . 1 101 LEU HD11 . 18404 1 1085 . 1 1 101 101 LEU HD12 H 1 0.80 0.03 . 1 . . . 1 101 LEU HD12 . 18404 1 1086 . 1 1 101 101 LEU HD13 H 1 0.80 0.03 . 1 . . . 1 101 LEU HD13 . 18404 1 1087 . 1 1 101 101 LEU HD21 H 1 0.72 0.03 . 1 . . . 1 101 LEU HD21 . 18404 1 1088 . 1 1 101 101 LEU HD22 H 1 0.72 0.03 . 1 . . . 1 101 LEU HD22 . 18404 1 1089 . 1 1 101 101 LEU HD23 H 1 0.72 0.03 . 1 . . . 1 101 LEU HD23 . 18404 1 1090 . 1 1 101 101 LEU C C 13 175.93 0.1 . 1 . . . 1 101 LEU C . 18404 1 1091 . 1 1 101 101 LEU CA C 13 53.90 0.5 . 1 . . . 1 101 LEU CA . 18404 1 1092 . 1 1 101 101 LEU CB C 13 42.70 0.5 . 1 . . . 1 101 LEU CB . 18404 1 1093 . 1 1 101 101 LEU CG C 13 26.89 0.5 . 1 . . . 1 101 LEU CG . 18404 1 1094 . 1 1 101 101 LEU CD1 C 13 25.83 0.5 . 1 . . . 1 101 LEU CD1 . 18404 1 1095 . 1 1 101 101 LEU CD2 C 13 22.33 0.5 . 1 . . . 1 101 LEU CD2 . 18404 1 1096 . 1 1 101 101 LEU N N 15 120.44 0.25 . 1 . . . 1 101 LEU N . 18404 1 1097 . 1 1 102 102 SER H H 1 7.98 0.03 . 1 . . . 1 102 SER H . 18404 1 1098 . 1 1 102 102 SER HA H 1 4.86 0.03 . 1 . . . 1 102 SER HA . 18404 1 1099 . 1 1 102 102 SER HB2 H 1 3.43 0.03 . 2 . . . 1 102 SER HB2 . 18404 1 1100 . 1 1 102 102 SER C C 13 172.65 0.1 . 1 . . . 1 102 SER C . 18404 1 1101 . 1 1 102 102 SER CA C 13 58.38 0.5 . 1 . . . 1 102 SER CA . 18404 1 1102 . 1 1 102 102 SER CB C 13 63.83 0.5 . 1 . . . 1 102 SER CB . 18404 1 1103 . 1 1 102 102 SER N N 15 115.61 0.25 . 1 . . . 1 102 SER N . 18404 1 1104 . 1 1 103 103 TRP H H 1 9.08 0.03 . 1 . . . 1 103 TRP H . 18404 1 1105 . 1 1 103 103 TRP HA H 1 5.24 0.03 . 1 . . . 1 103 TRP HA . 18404 1 1106 . 1 1 103 103 TRP HB2 H 1 2.99 0.03 . 1 . . . 1 103 TRP HB2 . 18404 1 1107 . 1 1 103 103 TRP HB3 H 1 3.34 0.03 . 1 . . . 1 103 TRP HB3 . 18404 1 1108 . 1 1 103 103 TRP HD1 H 1 7.06 0.03 . 1 . . . 1 103 TRP HD1 . 18404 1 1109 . 1 1 103 103 TRP HE1 H 1 10.49 0.03 . 1 . . . 1 103 TRP HE1 . 18404 1 1110 . 1 1 103 103 TRP HE3 H 1 7.25 0.03 . 1 . . . 1 103 TRP HE3 . 18404 1 1111 . 1 1 103 103 TRP HZ2 H 1 7.26 0.03 . 1 . . . 1 103 TRP HZ2 . 18404 1 1112 . 1 1 103 103 TRP HZ3 H 1 6.99 0.03 . 1 . . . 1 103 TRP HZ3 . 18404 1 1113 . 1 1 103 103 TRP HH2 H 1 7.49 0.03 . 1 . . . 1 103 TRP HH2 . 18404 1 1114 . 1 1 103 103 TRP C C 13 174.48 0.1 . 1 . . . 1 103 TRP C . 18404 1 1115 . 1 1 103 103 TRP CA C 13 55.60 0.5 . 1 . . . 1 103 TRP CA . 18404 1 1116 . 1 1 103 103 TRP CB C 13 32.70 0.5 . 1 . . . 1 103 TRP CB . 18404 1 1117 . 1 1 103 103 TRP N N 15 124.52 0.25 . 1 . . . 1 103 TRP N . 18404 1 1118 . 1 1 103 103 TRP NE1 N 15 131.10 0.25 . 1 . . . 1 103 TRP NE1 . 18404 1 1119 . 1 1 104 104 ALA H H 1 9.54 0.03 . 1 . . . 1 104 ALA H . 18404 1 1120 . 1 1 104 104 ALA HA H 1 4.93 0.03 . 1 . . . 1 104 ALA HA . 18404 1 1121 . 1 1 104 104 ALA HB1 H 1 1.11 0.03 . 1 . . . 1 104 ALA HB1 . 18404 1 1122 . 1 1 104 104 ALA HB2 H 1 1.11 0.03 . 1 . . . 1 104 ALA HB2 . 18404 1 1123 . 1 1 104 104 ALA HB3 H 1 1.11 0.03 . 1 . . . 1 104 ALA HB3 . 18404 1 1124 . 1 1 104 104 ALA C C 13 175.36 0.1 . 1 . . . 1 104 ALA C . 18404 1 1125 . 1 1 104 104 ALA CA C 13 50.22 0.1 . 1 . . . 1 104 ALA CA . 18404 1 1126 . 1 1 104 104 ALA CB C 13 23.41 0.1 . 1 . . . 1 104 ALA CB . 18404 1 1127 . 1 1 104 104 ALA N N 15 124.21 0.25 . 1 . . . 1 104 ALA N . 18404 1 1128 . 1 1 105 105 GLN H H 1 8.65 0.03 . 1 . . . 1 105 GLN H . 18404 1 1129 . 1 1 105 105 GLN HA H 1 3.52 0.03 . 1 . . . 1 105 GLN HA . 18404 1 1130 . 1 1 105 105 GLN HB2 H 1 0.56 0.03 . 1 . . . 1 105 GLN HB2 . 18404 1 1131 . 1 1 105 105 GLN HB3 H 1 1.37 0.03 . 1 . . . 1 105 GLN HB3 . 18404 1 1132 . 1 1 105 105 GLN HG2 H 1 0.67 0.03 . 1 . . . 1 105 GLN HG2 . 18404 1 1133 . 1 1 105 105 GLN HG3 H 1 0.99 0.03 . 1 . . . 1 105 GLN HG3 . 18404 1 1134 . 1 1 105 105 GLN HE21 H 1 6.86 0.03 . 1 . . . 1 105 GLN HE21 . 18404 1 1135 . 1 1 105 105 GLN HE22 H 1 6.75 0.03 . 1 . . . 1 105 GLN HE22 . 18404 1 1136 . 1 1 105 105 GLN C C 13 175.06 0.1 . 1 . . . 1 105 GLN C . 18404 1 1137 . 1 1 105 105 GLN CA C 13 55.99 0.5 . 1 . . . 1 105 GLN CA . 18404 1 1138 . 1 1 105 105 GLN CB C 13 28.44 0.5 . 1 . . . 1 105 GLN CB . 18404 1 1139 . 1 1 105 105 GLN CG C 13 34.04 0.5 . 1 . . . 1 105 GLN CG . 18404 1 1140 . 1 1 105 105 GLN CD C 13 179.57 0.1 . 1 . . . 1 105 GLN CD . 18404 1 1141 . 1 1 105 105 GLN N N 15 121.64 0.25 . 1 . . . 1 105 GLN N . 18404 1 1142 . 1 1 105 105 GLN NE2 N 15 111.20 0.25 . 1 . . . 1 105 GLN NE2 . 18404 1 1143 . 1 1 106 106 VAL H H 1 9.64 0.03 . 1 . . . 1 106 VAL H . 18404 1 1144 . 1 1 106 106 VAL HA H 1 4.17 0.03 . 1 . . . 1 106 VAL HA . 18404 1 1145 . 1 1 106 106 VAL HB H 1 2.03 0.03 . 1 . . . 1 106 VAL HB . 18404 1 1146 . 1 1 106 106 VAL HG11 H 1 -0.02 0.03 . 1 . . . 1 106 VAL HG11 . 18404 1 1147 . 1 1 106 106 VAL HG12 H 1 -0.02 0.03 . 1 . . . 1 106 VAL HG12 . 18404 1 1148 . 1 1 106 106 VAL HG13 H 1 -0.02 0.03 . 1 . . . 1 106 VAL HG13 . 18404 1 1149 . 1 1 106 106 VAL HG21 H 1 0.94 0.03 . 1 . . . 1 106 VAL HG21 . 18404 1 1150 . 1 1 106 106 VAL HG22 H 1 0.94 0.03 . 1 . . . 1 106 VAL HG22 . 18404 1 1151 . 1 1 106 106 VAL HG23 H 1 0.94 0.03 . 1 . . . 1 106 VAL HG23 . 18404 1 1152 . 1 1 106 106 VAL C C 13 173.43 0.1 . 1 . . . 1 106 VAL C . 18404 1 1153 . 1 1 106 106 VAL CA C 13 61.40 0.5 . 1 . . . 1 106 VAL CA . 18404 1 1154 . 1 1 106 106 VAL CB C 13 32.65 0.5 . 1 . . . 1 106 VAL CB . 18404 1 1155 . 1 1 106 106 VAL CG1 C 13 21.96 0.5 . 1 . . . 1 106 VAL CG1 . 18404 1 1156 . 1 1 106 106 VAL CG2 C 13 21.26 0.5 . 1 . . . 1 106 VAL CG2 . 18404 1 1157 . 1 1 106 106 VAL N N 15 134.44 0.25 . 1 . . . 1 106 VAL N . 18404 1 1158 . 1 1 107 107 ASN H H 1 8.37 0.03 . 1 . . . 1 107 ASN H . 18404 1 1159 . 1 1 107 107 ASN HA H 1 5.00 0.03 . 1 . . . 1 107 ASN HA . 18404 1 1160 . 1 1 107 107 ASN HB2 H 1 2.48 0.03 . 2 . . . 1 107 ASN HB2 . 18404 1 1161 . 1 1 107 107 ASN HB3 H 1 2.70 0.03 . 2 . . . 1 107 ASN HB3 . 18404 1 1162 . 1 1 107 107 ASN HD21 H 1 7.06 0.03 . 1 . . . 1 107 ASN HD21 . 18404 1 1163 . 1 1 107 107 ASN HD22 H 1 6.69 0.03 . 1 . . . 1 107 ASN HD22 . 18404 1 1164 . 1 1 107 107 ASN C C 13 173.74 0.1 . 1 . . . 1 107 ASN C . 18404 1 1165 . 1 1 107 107 ASN CA C 13 52.67 0.5 . 1 . . . 1 107 ASN CA . 18404 1 1166 . 1 1 107 107 ASN CB C 13 40.07 0.5 . 1 . . . 1 107 ASN CB . 18404 1 1167 . 1 1 107 107 ASN CG C 13 176.50 0.1 . 1 . . . 1 107 ASN CG . 18404 1 1168 . 1 1 107 107 ASN N N 15 124.88 0.25 . 1 . . . 1 107 ASN N . 18404 1 1169 . 1 1 107 107 ASN ND2 N 15 108.30 0.25 . 1 . . . 1 107 ASN ND2 . 18404 1 1170 . 1 1 108 108 PHE H H 1 8.96 0.03 . 1 . . . 1 108 PHE H . 18404 1 1171 . 1 1 108 108 PHE HA H 1 5.64 0.03 . 1 . . . 1 108 PHE HA . 18404 1 1172 . 1 1 108 108 PHE HB2 H 1 2.96 0.03 . 2 . . . 1 108 PHE HB2 . 18404 1 1173 . 1 1 108 108 PHE HB3 H 1 3.67 0.03 . 2 . . . 1 108 PHE HB3 . 18404 1 1174 . 1 1 108 108 PHE HD2 H 1 7.45 0.03 . 3 . . . 1 108 PHE HD2 . 18404 1 1175 . 1 1 108 108 PHE HE2 H 1 7.20 0.03 . 3 . . . 1 108 PHE HE2 . 18404 1 1176 . 1 1 108 108 PHE C C 13 178.77 0.1 . 1 . . . 1 108 PHE C . 18404 1 1177 . 1 1 108 108 PHE CA C 13 56.39 0.5 . 1 . . . 1 108 PHE CA . 18404 1 1178 . 1 1 108 108 PHE CB C 13 42.97 0.5 . 1 . . . 1 108 PHE CB . 18404 1 1179 . 1 1 108 108 PHE N N 15 125.80 0.25 . 1 . . . 1 108 PHE N . 18404 1 1180 . 1 1 109 109 THR H H 1 9.24 0.03 . 1 . . . 1 109 THR H . 18404 1 1181 . 1 1 109 109 THR HA H 1 3.79 0.03 . 1 . . . 1 109 THR HA . 18404 1 1182 . 1 1 109 109 THR HB H 1 4.14 0.03 . 1 . . . 1 109 THR HB . 18404 1 1183 . 1 1 109 109 THR HG21 H 1 1.23 0.03 . 1 . . . 1 109 THR HG21 . 18404 1 1184 . 1 1 109 109 THR HG22 H 1 1.23 0.03 . 1 . . . 1 109 THR HG22 . 18404 1 1185 . 1 1 109 109 THR HG23 H 1 1.23 0.03 . 1 . . . 1 109 THR HG23 . 18404 1 1186 . 1 1 109 109 THR C C 13 175.70 0.1 . 1 . . . 1 109 THR C . 18404 1 1187 . 1 1 109 109 THR CA C 13 67.82 0.5 . 1 . . . 1 109 THR CA . 18404 1 1188 . 1 1 109 109 THR CB C 13 68.94 0.5 . 1 . . . 1 109 THR CB . 18404 1 1189 . 1 1 109 109 THR CG2 C 13 17.20 0.5 . 1 . . . 1 109 THR CG2 . 18404 1 1190 . 1 1 109 109 THR N N 15 117.36 0.25 . 1 . . . 1 109 THR N . 18404 1 1191 . 1 1 110 110 THR H H 1 9.38 0.03 . 1 . . . 1 110 THR H . 18404 1 1192 . 1 1 110 110 THR HA H 1 4.34 0.03 . 1 . . . 1 110 THR HA . 18404 1 1193 . 1 1 110 110 THR HB H 1 4.16 0.03 . 1 . . . 1 110 THR HB . 18404 1 1194 . 1 1 110 110 THR HG21 H 1 1.18 0.03 . 1 . . . 1 110 THR HG21 . 18404 1 1195 . 1 1 110 110 THR HG22 H 1 1.18 0.03 . 1 . . . 1 110 THR HG22 . 18404 1 1196 . 1 1 110 110 THR HG23 H 1 1.18 0.03 . 1 . . . 1 110 THR HG23 . 18404 1 1197 . 1 1 110 110 THR C C 13 177.84 0.1 . 1 . . . 1 110 THR C . 18404 1 1198 . 1 1 110 110 THR CA C 13 65.77 0.5 . 1 . . . 1 110 THR CA . 18404 1 1199 . 1 1 110 110 THR CB C 13 67.45 0.5 . 1 . . . 1 110 THR CB . 18404 1 1200 . 1 1 110 110 THR CG2 C 13 21.98 0.5 . 1 . . . 1 110 THR CG2 . 18404 1 1201 . 1 1 110 110 THR N N 15 118.05 0.25 . 1 . . . 1 110 THR N . 18404 1 1202 . 1 1 111 111 GLY H H 1 9.04 0.03 . 1 . . . 1 111 GLY H . 18404 1 1203 . 1 1 111 111 GLY HA2 H 1 4.14 0.03 . 2 . . . 1 111 GLY HA2 . 18404 1 1204 . 1 1 111 111 GLY HA3 H 1 3.79 0.03 . 2 . . . 1 111 GLY HA3 . 18404 1 1205 . 1 1 111 111 GLY C C 13 173.94 0.1 . 1 . . . 1 111 GLY C . 18404 1 1206 . 1 1 111 111 GLY CA C 13 45.89 0.5 . 1 . . . 1 111 GLY CA . 18404 1 1207 . 1 1 111 111 GLY N N 15 108.83 0.25 . 1 . . . 1 111 GLY N . 18404 1 1208 . 1 1 112 112 GLY H H 1 7.64 0.03 . 1 . . . 1 112 GLY H . 18404 1 1209 . 1 1 112 112 GLY HA2 H 1 4.04 0.03 . 2 . . . 1 112 GLY HA2 . 18404 1 1210 . 1 1 112 112 GLY HA3 H 1 3.83 0.03 . 2 . . . 1 112 GLY HA3 . 18404 1 1211 . 1 1 112 112 GLY C C 13 174.32 0.1 . 1 . . . 1 112 GLY C . 18404 1 1212 . 1 1 112 112 GLY CA C 13 45.39 0.1 . 1 . . . 1 112 GLY CA . 18404 1 1213 . 1 1 112 112 GLY N N 15 108.12 0.25 . 1 . . . 1 112 GLY N . 18404 1 1214 . 1 1 113 113 ASN H H 1 8.43 0.03 . 1 . . . 1 113 ASN H . 18404 1 1215 . 1 1 113 113 ASN HA H 1 5.29 0.03 . 1 . . . 1 113 ASN HA . 18404 1 1216 . 1 1 113 113 ASN HB2 H 1 2.68 0.03 . 1 . . . 1 113 ASN HB2 . 18404 1 1217 . 1 1 113 113 ASN HB3 H 1 2.13 0.03 . 1 . . . 1 113 ASN HB3 . 18404 1 1218 . 1 1 113 113 ASN HD21 H 1 7.41 0.03 . 1 . . . 1 113 ASN HD21 . 18404 1 1219 . 1 1 113 113 ASN HD22 H 1 6.65 0.03 . 1 . . . 1 113 ASN HD22 . 18404 1 1220 . 1 1 113 113 ASN C C 13 175.37 0.1 . 1 . . . 1 113 ASN C . 18404 1 1221 . 1 1 113 113 ASN CA C 13 53.40 0.5 . 1 . . . 1 113 ASN CA . 18404 1 1222 . 1 1 113 113 ASN CB C 13 39.29 0.5 . 1 . . . 1 113 ASN CB . 18404 1 1223 . 1 1 113 113 ASN CG C 13 176.10 0.5 . 1 . . . 1 113 ASN CG . 18404 1 1224 . 1 1 113 113 ASN N N 15 121.33 0.25 . 1 . . . 1 113 ASN N . 18404 1 1225 . 1 1 113 113 ASN ND2 N 15 112.10 0.25 . 1 . . . 1 113 ASN ND2 . 18404 1 1226 . 1 1 114 114 VAL H H 1 9.31 0.03 . 1 . . . 1 114 VAL H . 18404 1 1227 . 1 1 114 114 VAL HA H 1 4.35 0.03 . 1 . . . 1 114 VAL HA . 18404 1 1228 . 1 1 114 114 VAL HB H 1 2.16 0.03 . 1 . . . 1 114 VAL HB . 18404 1 1229 . 1 1 114 114 VAL HG11 H 1 0.97 0.03 . 2 . . . 1 114 VAL HG11 . 18404 1 1230 . 1 1 114 114 VAL HG12 H 1 0.97 0.03 . 2 . . . 1 114 VAL HG12 . 18404 1 1231 . 1 1 114 114 VAL HG13 H 1 0.97 0.03 . 2 . . . 1 114 VAL HG13 . 18404 1 1232 . 1 1 114 114 VAL HG21 H 1 1.02 0.03 . 2 . . . 1 114 VAL HG21 . 18404 1 1233 . 1 1 114 114 VAL HG22 H 1 1.02 0.03 . 2 . . . 1 114 VAL HG22 . 18404 1 1234 . 1 1 114 114 VAL HG23 H 1 1.02 0.03 . 2 . . . 1 114 VAL HG23 . 18404 1 1235 . 1 1 114 114 VAL C C 13 175.30 0.1 . 1 . . . 1 114 VAL C . 18404 1 1236 . 1 1 114 114 VAL CA C 13 61.61 0.5 . 1 . . . 1 114 VAL CA . 18404 1 1237 . 1 1 114 114 VAL CB C 13 37.57 0.5 . 1 . . . 1 114 VAL CB . 18404 1 1238 . 1 1 114 114 VAL CG1 C 13 21.48 0.5 . 2 . . . 1 114 VAL CG1 . 18404 1 1239 . 1 1 114 114 VAL CG2 C 13 26.50 0.5 . 2 . . . 1 114 VAL CG2 . 18404 1 1240 . 1 1 114 114 VAL N N 15 126.64 0.25 . 1 . . . 1 114 VAL N . 18404 1 1241 . 1 1 115 115 TRP H H 1 8.96 0.03 . 1 . . . 1 115 TRP H . 18404 1 1242 . 1 1 115 115 TRP HA H 1 5.28 0.03 . 1 . . . 1 115 TRP HA . 18404 1 1243 . 1 1 115 115 TRP HB2 H 1 2.92 0.03 . 2 . . . 1 115 TRP HB2 . 18404 1 1244 . 1 1 115 115 TRP HD1 H 1 7.17 0.03 . 1 . . . 1 115 TRP HD1 . 18404 1 1245 . 1 1 115 115 TRP HE1 H 1 10.05 0.03 . 1 . . . 1 115 TRP HE1 . 18404 1 1246 . 1 1 115 115 TRP HE3 H 1 7.41 0.03 . 1 . . . 1 115 TRP HE3 . 18404 1 1247 . 1 1 115 115 TRP HZ2 H 1 7.36 0.03 . 1 . . . 1 115 TRP HZ2 . 18404 1 1248 . 1 1 115 115 TRP C C 13 176.02 0.1 . 1 . . . 1 115 TRP C . 18404 1 1249 . 1 1 115 115 TRP CA C 13 57.27 0.5 . 1 . . . 1 115 TRP CA . 18404 1 1250 . 1 1 115 115 TRP CB C 13 30.37 0.5 . 1 . . . 1 115 TRP CB . 18404 1 1251 . 1 1 115 115 TRP N N 15 127.62 0.25 . 1 . . . 1 115 TRP N . 18404 1 1252 . 1 1 115 115 TRP NE1 N 15 129.23 0.25 . 1 . . . 1 115 TRP NE1 . 18404 1 1253 . 1 1 116 116 LEU H H 1 8.99 0.03 . 1 . . . 1 116 LEU H . 18404 1 1254 . 1 1 116 116 LEU HA H 1 5.42 0.03 . 1 . . . 1 116 LEU HA . 18404 1 1255 . 1 1 116 116 LEU HB2 H 1 1.70 0.03 . 1 . . . 1 116 LEU HB2 . 18404 1 1256 . 1 1 116 116 LEU HB3 H 1 1.52 0.03 . 1 . . . 1 116 LEU HB3 . 18404 1 1257 . 1 1 116 116 LEU HG H 1 1.58 0.03 . 1 . . . 1 116 LEU HG . 18404 1 1258 . 1 1 116 116 LEU HD11 H 1 1.15 0.03 . 2 . . . 1 116 LEU HD11 . 18404 1 1259 . 1 1 116 116 LEU HD12 H 1 1.15 0.03 . 2 . . . 1 116 LEU HD12 . 18404 1 1260 . 1 1 116 116 LEU HD13 H 1 1.15 0.03 . 2 . . . 1 116 LEU HD13 . 18404 1 1261 . 1 1 116 116 LEU HD21 H 1 0.76 0.03 . 2 . . . 1 116 LEU HD21 . 18404 1 1262 . 1 1 116 116 LEU HD22 H 1 0.76 0.03 . 2 . . . 1 116 LEU HD22 . 18404 1 1263 . 1 1 116 116 LEU HD23 H 1 0.76 0.03 . 2 . . . 1 116 LEU HD23 . 18404 1 1264 . 1 1 116 116 LEU C C 13 176.02 0.1 . 1 . . . 1 116 LEU C . 18404 1 1265 . 1 1 116 116 LEU CA C 13 53.43 0.5 . 1 . . . 1 116 LEU CA . 18404 1 1266 . 1 1 116 116 LEU CB C 13 47.79 0.5 . 1 . . . 1 116 LEU CB . 18404 1 1267 . 1 1 116 116 LEU CG C 13 27.04 0.5 . 1 . . . 1 116 LEU CG . 18404 1 1268 . 1 1 116 116 LEU CD1 C 13 23.70 0.5 . 2 . . . 1 116 LEU CD1 . 18404 1 1269 . 1 1 116 116 LEU N N 15 120.19 0.25 . 1 . . . 1 116 LEU N . 18404 1 1270 . 1 1 117 117 ASN H H 1 9.48 0.03 . 1 . . . 1 117 ASN H . 18404 1 1271 . 1 1 117 117 ASN HA H 1 4.78 0.03 . 1 . . . 1 117 ASN HA . 18404 1 1272 . 1 1 117 117 ASN HB2 H 1 1.13 0.03 . 1 . . . 1 117 ASN HB2 . 18404 1 1273 . 1 1 117 117 ASN HB3 H 1 2.50 0.03 . 1 . . . 1 117 ASN HB3 . 18404 1 1274 . 1 1 117 117 ASN HD21 H 1 7.52 0.03 . 1 . . . 1 117 ASN HD21 . 18404 1 1275 . 1 1 117 117 ASN HD22 H 1 6.29 0.03 . 1 . . . 1 117 ASN HD22 . 18404 1 1276 . 1 1 117 117 ASN C C 13 172.11 0.1 . 1 . . . 1 117 ASN C . 18404 1 1277 . 1 1 117 117 ASN CA C 13 52.03 0.5 . 1 . . . 1 117 ASN CA . 18404 1 1278 . 1 1 117 117 ASN CB C 13 37.67 0.5 . 1 . . . 1 117 ASN CB . 18404 1 1279 . 1 1 117 117 ASN CG C 13 175.03 0.1 . 1 . . . 1 117 ASN CG . 18404 1 1280 . 1 1 117 117 ASN N N 15 122.69 0.25 . 1 . . . 1 117 ASN N . 18404 1 1281 . 1 1 117 117 ASN ND2 N 15 109.00 0.25 . 1 . . . 1 117 ASN ND2 . 18404 1 1282 . 1 1 118 118 THR H H 1 7.69 0.03 . 1 . . . 1 118 THR H . 18404 1 1283 . 1 1 118 118 THR HA H 1 4.62 0.03 . 1 . . . 1 118 THR HA . 18404 1 1284 . 1 1 118 118 THR HB H 1 3.94 0.03 . 1 . . . 1 118 THR HB . 18404 1 1285 . 1 1 118 118 THR HG21 H 1 0.83 0.03 . 1 . . . 1 118 THR HG21 . 18404 1 1286 . 1 1 118 118 THR HG22 H 1 0.83 0.03 . 1 . . . 1 118 THR HG22 . 18404 1 1287 . 1 1 118 118 THR HG23 H 1 0.83 0.03 . 1 . . . 1 118 THR HG23 . 18404 1 1288 . 1 1 118 118 THR C C 13 171.21 0.1 . 1 . . . 1 118 THR C . 18404 1 1289 . 1 1 118 118 THR CA C 13 60.30 0.5 . 1 . . . 1 118 THR CA . 18404 1 1290 . 1 1 118 118 THR CB C 13 68.99 0.5 . 1 . . . 1 118 THR CB . 18404 1 1291 . 1 1 118 118 THR CG2 C 13 18.70 0.5 . 1 . . . 1 118 THR CG2 . 18404 1 1292 . 1 1 118 118 THR N N 15 118.76 0.25 . 1 . . . 1 118 THR N . 18404 1 1293 . 1 1 119 119 THR H H 1 7.17 0.03 . 1 . . . 1 119 THR H . 18404 1 1294 . 1 1 119 119 THR HA H 1 4.52 0.03 . 1 . . . 1 119 THR HA . 18404 1 1295 . 1 1 119 119 THR HB H 1 4.09 0.03 . 1 . . . 1 119 THR HB . 18404 1 1296 . 1 1 119 119 THR HG21 H 1 1.18 0.03 . 1 . . . 1 119 THR HG21 . 18404 1 1297 . 1 1 119 119 THR HG22 H 1 1.18 0.03 . 1 . . . 1 119 THR HG22 . 18404 1 1298 . 1 1 119 119 THR HG23 H 1 1.18 0.03 . 1 . . . 1 119 THR HG23 . 18404 1 1299 . 1 1 119 119 THR C C 13 175.30 0.1 . 1 . . . 1 119 THR C . 18404 1 1300 . 1 1 119 119 THR CA C 13 61.62 0.5 . 1 . . . 1 119 THR CA . 18404 1 1301 . 1 1 119 119 THR CB C 13 70.03 0.5 . 1 . . . 1 119 THR CB . 18404 1 1302 . 1 1 119 119 THR N N 15 107.87 0.25 . 1 . . . 1 119 THR N . 18404 1 1303 . 1 1 120 120 SER H H 1 7.78 0.03 . 1 . . . 1 120 SER H . 18404 1 1304 . 1 1 120 120 SER HA H 1 4.50 0.03 . 1 . . . 1 120 SER HA . 18404 1 1305 . 1 1 120 120 SER HB2 H 1 3.83 0.03 . 2 . . . 1 120 SER HB2 . 18404 1 1306 . 1 1 120 120 SER HB3 H 1 4.22 0.03 . 2 . . . 1 120 SER HB3 . 18404 1 1307 . 1 1 120 120 SER C C 13 173.07 0.1 . 1 . . . 1 120 SER C . 18404 1 1308 . 1 1 120 120 SER CA C 13 57.94 0.5 . 1 . . . 1 120 SER CA . 18404 1 1309 . 1 1 120 120 SER CB C 13 64.76 0.5 . 1 . . . 1 120 SER CB . 18404 1 1310 . 1 1 120 120 SER N N 15 113.35 0.25 . 1 . . . 1 120 SER N . 18404 1 1311 . 1 1 121 121 LYS H H 1 9.27 0.03 . 1 . . . 1 121 LYS H . 18404 1 1312 . 1 1 121 121 LYS HA H 1 3.81 0.03 . 1 . . . 1 121 LYS HA . 18404 1 1313 . 1 1 121 121 LYS HB2 H 1 1.93 0.03 . 2 . . . 1 121 LYS HB2 . 18404 1 1314 . 1 1 121 121 LYS HG2 H 1 1.41 0.03 . 4 . . . 1 121 LYS HG2 . 18404 1 1315 . 1 1 121 121 LYS HD2 H 1 1.81 0.03 . 4 . . . 1 121 LYS HD2 . 18404 1 1316 . 1 1 121 121 LYS HD3 H 1 1.68 0.03 . 4 . . . 1 121 LYS HD3 . 18404 1 1317 . 1 1 121 121 LYS HE2 H 1 2.91 0.03 . 2 . . . 1 121 LYS HE2 . 18404 1 1318 . 1 1 121 121 LYS C C 13 176.94 0.1 . 1 . . . 1 121 LYS C . 18404 1 1319 . 1 1 121 121 LYS CA C 13 60.99 0.5 . 1 . . . 1 121 LYS CA . 18404 1 1320 . 1 1 121 121 LYS CB C 13 32.33 0.5 . 1 . . . 1 121 LYS CB . 18404 1 1321 . 1 1 121 121 LYS CG C 13 26.00 0.5 . 1 . . . 1 121 LYS CG . 18404 1 1322 . 1 1 121 121 LYS CD C 13 29.96 0.5 . 1 . . . 1 121 LYS CD . 18404 1 1323 . 1 1 121 121 LYS CE C 13 42.25 0.5 . 1 . . . 1 121 LYS CE . 18404 1 1324 . 1 1 121 121 LYS N N 15 122.31 0.25 . 1 . . . 1 121 LYS N . 18404 1 1325 . 1 1 122 122 ASP H H 1 8.49 0.03 . 1 . . . 1 122 ASP H . 18404 1 1326 . 1 1 122 122 ASP HA H 1 4.65 0.03 . 1 . . . 1 122 ASP HA . 18404 1 1327 . 1 1 122 122 ASP HB2 H 1 2.62 0.03 . 2 . . . 1 122 ASP HB2 . 18404 1 1328 . 1 1 122 122 ASP C C 13 179.24 0.1 . 1 . . . 1 122 ASP C . 18404 1 1329 . 1 1 122 122 ASP CA C 13 57.30 0.5 . 1 . . . 1 122 ASP CA . 18404 1 1330 . 1 1 122 122 ASP CB C 13 40.44 0.5 . 1 . . . 1 122 ASP CB . 18404 1 1331 . 1 1 122 122 ASP N N 15 117.93 0.25 . 1 . . . 1 122 ASP N . 18404 1 1332 . 1 1 123 123 ASN H H 1 8.30 0.03 . 1 . . . 1 123 ASN H . 18404 1 1333 . 1 1 123 123 ASN HA H 1 4.50 0.03 . 1 . . . 1 123 ASN HA . 18404 1 1334 . 1 1 123 123 ASN HB2 H 1 2.90 0.03 . 1 . . . 1 123 ASN HB2 . 18404 1 1335 . 1 1 123 123 ASN HB3 H 1 2.60 0.03 . 1 . . . 1 123 ASN HB3 . 18404 1 1336 . 1 1 123 123 ASN HD21 H 1 7.82 0.03 . 1 . . . 1 123 ASN HD21 . 18404 1 1337 . 1 1 123 123 ASN HD22 H 1 7.10 0.03 . 1 . . . 1 123 ASN HD22 . 18404 1 1338 . 1 1 123 123 ASN C C 13 175.71 0.1 . 1 . . . 1 123 ASN C . 18404 1 1339 . 1 1 123 123 ASN CA C 13 57.81 0.5 . 1 . . . 1 123 ASN CA . 18404 1 1340 . 1 1 123 123 ASN CB C 13 40.88 0.5 . 1 . . . 1 123 ASN CB . 18404 1 1341 . 1 1 123 123 ASN CG C 13 177.21 0.1 . 1 . . . 1 123 ASN CG . 18404 1 1342 . 1 1 123 123 ASN N N 15 121.46 0.25 . 1 . . . 1 123 ASN N . 18404 1 1343 . 1 1 123 123 ASN ND2 N 15 111.10 0.25 . 1 . . . 1 123 ASN ND2 . 18404 1 1344 . 1 1 124 124 LEU H H 1 8.08 0.03 . 1 . . . 1 124 LEU H . 18404 1 1345 . 1 1 124 124 LEU HA H 1 3.99 0.03 . 1 . . . 1 124 LEU HA . 18404 1 1346 . 1 1 124 124 LEU HB2 H 1 1.98 0.03 . 2 . . . 1 124 LEU HB2 . 18404 1 1347 . 1 1 124 124 LEU HG H 1 0.84 0.03 . 1 . . . 1 124 LEU HG . 18404 1 1348 . 1 1 124 124 LEU HD11 H 1 0.92 0.03 . 1 . . . 1 124 LEU HD11 . 18404 1 1349 . 1 1 124 124 LEU HD12 H 1 0.92 0.03 . 1 . . . 1 124 LEU HD12 . 18404 1 1350 . 1 1 124 124 LEU HD13 H 1 0.92 0.03 . 1 . . . 1 124 LEU HD13 . 18404 1 1351 . 1 1 124 124 LEU HD21 H 1 1.49 0.03 . 1 . . . 1 124 LEU HD21 . 18404 1 1352 . 1 1 124 124 LEU HD22 H 1 1.49 0.03 . 1 . . . 1 124 LEU HD22 . 18404 1 1353 . 1 1 124 124 LEU HD23 H 1 1.49 0.03 . 1 . . . 1 124 LEU HD23 . 18404 1 1354 . 1 1 124 124 LEU C C 13 178.06 0.1 . 1 . . . 1 124 LEU C . 18404 1 1355 . 1 1 124 124 LEU CA C 13 58.29 0.5 . 1 . . . 1 124 LEU CA . 18404 1 1356 . 1 1 124 124 LEU CB C 13 42.38 0.5 . 1 . . . 1 124 LEU CB . 18404 1 1357 . 1 1 124 124 LEU CG C 13 28.26 0.5 . 1 . . . 1 124 LEU CG . 18404 1 1358 . 1 1 124 124 LEU CD1 C 13 27.00 0.5 . 1 . . . 1 124 LEU CD1 . 18404 1 1359 . 1 1 124 124 LEU CD2 C 13 24.89 0.5 . 1 . . . 1 124 LEU CD2 . 18404 1 1360 . 1 1 124 124 LEU N N 15 122.16 0.25 . 1 . . . 1 124 LEU N . 18404 1 1361 . 1 1 125 125 LEU H H 1 8.28 0.03 . 1 . . . 1 125 LEU H . 18404 1 1362 . 1 1 125 125 LEU HA H 1 4.00 0.03 . 1 . . . 1 125 LEU HA . 18404 1 1363 . 1 1 125 125 LEU HB2 H 1 1.22 0.03 . 1 . . . 1 125 LEU HB2 . 18404 1 1364 . 1 1 125 125 LEU HB3 H 1 0.43 0.03 . 1 . . . 1 125 LEU HB3 . 18404 1 1365 . 1 1 125 125 LEU HG H 1 1.71 0.03 . 1 . . . 1 125 LEU HG . 18404 1 1366 . 1 1 125 125 LEU HD11 H 1 0.75 0.03 . 2 . . . 1 125 LEU HD11 . 18404 1 1367 . 1 1 125 125 LEU HD12 H 1 0.75 0.03 . 2 . . . 1 125 LEU HD12 . 18404 1 1368 . 1 1 125 125 LEU HD13 H 1 0.75 0.03 . 2 . . . 1 125 LEU HD13 . 18404 1 1369 . 1 1 125 125 LEU C C 13 178.38 0.03 . 1 . . . 1 125 LEU C . 18404 1 1370 . 1 1 125 125 LEU CA C 13 57.41 0.5 . 1 . . . 1 125 LEU CA . 18404 1 1371 . 1 1 125 125 LEU CB C 13 42.15 0.5 . 1 . . . 1 125 LEU CB . 18404 1 1372 . 1 1 125 125 LEU CG C 13 26.57 0.5 . 1 . . . 1 125 LEU CG . 18404 1 1373 . 1 1 125 125 LEU CD1 C 13 23.97 0.5 . 2 . . . 1 125 LEU CD1 . 18404 1 1374 . 1 1 125 125 LEU CD2 C 13 23.15 0.5 . 2 . . . 1 125 LEU CD2 . 18404 1 1375 . 1 1 125 125 LEU N N 15 113.30 0.25 . 1 . . . 1 125 LEU N . 18404 1 1376 . 1 1 126 126 TYR H H 1 7.80 0.03 . 1 . . . 1 126 TYR H . 18404 1 1377 . 1 1 126 126 TYR HA H 1 4.88 0.03 . 1 . . . 1 126 TYR HA . 18404 1 1378 . 1 1 126 126 TYR HB2 H 1 2.89 0.03 . 2 . . . 1 126 TYR HB2 . 18404 1 1379 . 1 1 126 126 TYR HB3 H 1 3.40 0.03 . 2 . . . 1 126 TYR HB3 . 18404 1 1380 . 1 1 126 126 TYR HD2 H 1 7.25 0.03 . 3 . . . 1 126 TYR HD2 . 18404 1 1381 . 1 1 126 126 TYR HE2 H 1 6.77 0.03 . 3 . . . 1 126 TYR HE2 . 18404 1 1382 . 1 1 126 126 TYR C C 13 176.94 0.1 . 1 . . . 1 126 TYR C . 18404 1 1383 . 1 1 126 126 TYR CA C 13 57.91 0.5 . 1 . . . 1 126 TYR CA . 18404 1 1384 . 1 1 126 126 TYR CB C 13 40.42 0.5 . 1 . . . 1 126 TYR CB . 18404 1 1385 . 1 1 126 126 TYR N N 15 112.13 0.25 . 1 . . . 1 126 TYR N . 18404 1 1386 . 1 1 127 127 GLY H H 1 8.23 0.03 . 1 . . . 1 127 GLY H . 18404 1 1387 . 1 1 127 127 GLY HA2 H 1 4.06 0.03 . 2 . . . 1 127 GLY HA2 . 18404 1 1388 . 1 1 127 127 GLY C C 13 173.23 0.1 . 1 . . . 1 127 GLY C . 18404 1 1389 . 1 1 127 127 GLY CA C 13 46.11 0.5 . 1 . . . 1 127 GLY CA . 18404 1 1390 . 1 1 127 127 GLY N N 15 110.04 0.25 . 1 . . . 1 127 GLY N . 18404 1 1391 . 1 1 128 128 LYS H H 1 7.09 0.03 . 1 . . . 1 128 LYS H . 18404 1 1392 . 1 1 128 128 LYS HA H 1 4.12 0.03 . 1 . . . 1 128 LYS HA . 18404 1 1393 . 1 1 128 128 LYS HB2 H 1 1.50 0.03 . 1 . . . 1 128 LYS HB2 . 18404 1 1394 . 1 1 128 128 LYS HB3 H 1 1.82 0.03 . 1 . . . 1 128 LYS HB3 . 18404 1 1395 . 1 1 128 128 LYS HG2 H 1 1.34 0.03 . 2 . . . 1 128 LYS HG2 . 18404 1 1396 . 1 1 128 128 LYS HG3 H 1 1.12 0.03 . 4 . . . 1 128 LYS HG3 . 18404 1 1397 . 1 1 128 128 LYS HD2 H 1 1.58 0.03 . 2 . . . 1 128 LYS HD2 . 18404 1 1398 . 1 1 128 128 LYS HE2 H 1 2.89 0.03 . 2 . . . 1 128 LYS HE2 . 18404 1 1399 . 1 1 128 128 LYS C C 13 180.59 0.1 . 1 . . . 1 128 LYS C . 18404 1 1400 . 1 1 128 128 LYS CA C 13 57.64 0.5 . 1 . . . 1 128 LYS CA . 18404 1 1401 . 1 1 128 128 LYS CB C 13 34.07 0.5 . 1 . . . 1 128 LYS CB . 18404 1 1402 . 1 1 128 128 LYS CG C 13 25.00 0.5 . 1 . . . 1 128 LYS CG . 18404 1 1403 . 1 1 128 128 LYS CD C 13 28.87 0.5 . 1 . . . 1 128 LYS CD . 18404 1 1404 . 1 1 128 128 LYS CE C 13 42.15 0.5 . 1 . . . 1 128 LYS CE . 18404 1 1405 . 1 1 128 128 LYS N N 15 124.77 0.25 . 1 . . . 1 128 LYS N . 18404 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 47 18404 1 1 52 18404 1 1 58 18404 1 1 61 18404 1 2 48 18404 1 2 53 18404 1 2 62 18404 1 3 49 18404 1 3 55 18404 1 3 59 18404 1 4 50 18404 1 4 56 18404 1 4 60 18404 1 4 63 18404 1 5 51 18404 1 5 57 18404 1 6 54 18404 1 7 98 18404 1 7 99 18404 1 7 100 18404 1 8 137 18404 1 9 210 18404 1 9 211 18404 1 10 526 18404 1 10 527 18404 1 11 1314 18404 1 11 1315 18404 1 11 1316 18404 1 12 1396 18404 1 stop_ save_