data_52769 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52769 _Entry.Title ; Cora10401_3CS ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-12-20 _Entry.Accession_date 2024-12-20 _Entry.Last_release_date 2024-12-20 _Entry.Original_release_date 2024-12-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Julian Hendrich . . . . 52769 2 Kristian Schweimer . . . . 52769 3 Birgitta Woehrl . . . . 52769 4 Maike Schneider . . . . 52769 5 Thessa Jacob . . . . 52769 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52769 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 519 52769 '15N chemical shifts' 125 52769 '1H chemical shifts' 756 52769 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-12-12 . original BMRB . 52769 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52770 Cora10501_Q3OR 52769 BMRB 52771 Cora10501_Q3OGlc 52769 BMRB 52772 Cora10501 52769 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52769 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40686861 _Citation.DOI 10.1016/j.fochx.2025.102711 _Citation.Full_citation . _Citation.Title ; Identification of glycosylated flavonoids as new physiological ligands of the hazel allergen Cor a 1: Complex structures reveal different binding orientation and specificity of mono- and disaccharide derivatives ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Food Chem. X' _Citation.Journal_name_full 'Food chemistry: X' _Citation.Journal_volume 29 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2590-1575 _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 102711 _Citation.Page_last 102711 _Citation.Year 2025 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Julian Hendrich . . . . 52769 1 2 Hatice Kara . . . . 52769 1 3 Kristian Schweimer . . . . 52769 1 4 Thessa Jacob . . . . 52769 1 5 Maike Schneider . . . . 52769 1 6 Susanne Baldermann . . . . 52769 1 7 Birgitta Woehrl . . . . 52769 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52769 _Assembly.ID 1 _Assembly.Name 'Cor a 1.0401_3CS' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'Cor a 1.0401_3CS' 1 $entity_1 . . yes native no no . . . 52769 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52769 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGVFSYEDEATSVIPPARLF KSFVLDADNLIPKVAPQHFT SAENLEGNGGPGTIKKITFA EGNEFKYMKHKVEEIDHANF KYSYSIIEGGPLGHTLEKIS YEIKMAAAPHGGGSILKITS KYHTKGNASINEEEIKAGKE KAAGLFKAVEAYLLAHPDAY S ; _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 161 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . 52769 1 2 . GLY . 52769 1 3 . VAL . 52769 1 4 . PHE . 52769 1 5 . SER . 52769 1 6 . TYR . 52769 1 7 . GLU . 52769 1 8 . ASP . 52769 1 9 . GLU . 52769 1 10 . ALA . 52769 1 11 . THR . 52769 1 12 . SER . 52769 1 13 . VAL . 52769 1 14 . ILE . 52769 1 15 . PRO . 52769 1 16 . PRO . 52769 1 17 . ALA . 52769 1 18 . ARG . 52769 1 19 . LEU . 52769 1 20 . PHE . 52769 1 21 . LYS . 52769 1 22 . SER . 52769 1 23 . PHE . 52769 1 24 . VAL . 52769 1 25 . LEU . 52769 1 26 . ASP . 52769 1 27 . ALA . 52769 1 28 . ASP . 52769 1 29 . ASN . 52769 1 30 . LEU . 52769 1 31 . ILE . 52769 1 32 . PRO . 52769 1 33 . LYS . 52769 1 34 . VAL . 52769 1 35 . ALA . 52769 1 36 . PRO . 52769 1 37 . GLN . 52769 1 38 . HIS . 52769 1 39 . PHE . 52769 1 40 . THR . 52769 1 41 . SER . 52769 1 42 . ALA . 52769 1 43 . GLU . 52769 1 44 . ASN . 52769 1 45 . LEU . 52769 1 46 . GLU . 52769 1 47 . GLY . 52769 1 48 . ASN . 52769 1 49 . GLY . 52769 1 50 . GLY . 52769 1 51 . PRO . 52769 1 52 . GLY . 52769 1 53 . THR . 52769 1 54 . ILE . 52769 1 55 . LYS . 52769 1 56 . LYS . 52769 1 57 . ILE . 52769 1 58 . THR . 52769 1 59 . PHE . 52769 1 60 . ALA . 52769 1 61 . GLU . 52769 1 62 . GLY . 52769 1 63 . ASN . 52769 1 64 . GLU . 52769 1 65 . PHE . 52769 1 66 . LYS . 52769 1 67 . TYR . 52769 1 68 . MET . 52769 1 69 . LYS . 52769 1 70 . HIS . 52769 1 71 . LYS . 52769 1 72 . VAL . 52769 1 73 . GLU . 52769 1 74 . GLU . 52769 1 75 . ILE . 52769 1 76 . ASP . 52769 1 77 . HIS . 52769 1 78 . ALA . 52769 1 79 . ASN . 52769 1 80 . PHE . 52769 1 81 . LYS . 52769 1 82 . TYR . 52769 1 83 . SER . 52769 1 84 . TYR . 52769 1 85 . SER . 52769 1 86 . ILE . 52769 1 87 . ILE . 52769 1 88 . GLU . 52769 1 89 . GLY . 52769 1 90 . GLY . 52769 1 91 . PRO . 52769 1 92 . LEU . 52769 1 93 . GLY . 52769 1 94 . HIS . 52769 1 95 . THR . 52769 1 96 . LEU . 52769 1 97 . GLU . 52769 1 98 . LYS . 52769 1 99 . ILE . 52769 1 100 . SER . 52769 1 101 . TYR . 52769 1 102 . GLU . 52769 1 103 . ILE . 52769 1 104 . LYS . 52769 1 105 . MET . 52769 1 106 . ALA . 52769 1 107 . ALA . 52769 1 108 . ALA . 52769 1 109 . PRO . 52769 1 110 . HIS . 52769 1 111 . GLY . 52769 1 112 . GLY . 52769 1 113 . GLY . 52769 1 114 . SER . 52769 1 115 . ILE . 52769 1 116 . LEU . 52769 1 117 . LYS . 52769 1 118 . ILE . 52769 1 119 . THR . 52769 1 120 . SER . 52769 1 121 . LYS . 52769 1 122 . TYR . 52769 1 123 . HIS . 52769 1 124 . THR . 52769 1 125 . LYS . 52769 1 126 . GLY . 52769 1 127 . ASN . 52769 1 128 . ALA . 52769 1 129 . SER . 52769 1 130 . ILE . 52769 1 131 . ASN . 52769 1 132 . GLU . 52769 1 133 . GLU . 52769 1 134 . GLU . 52769 1 135 . ILE . 52769 1 136 . LYS . 52769 1 137 . ALA . 52769 1 138 . GLY . 52769 1 139 . LYS . 52769 1 140 . GLU . 52769 1 141 . LYS . 52769 1 142 . ALA . 52769 1 143 . ALA . 52769 1 144 . GLY . 52769 1 145 . LEU . 52769 1 146 . PHE . 52769 1 147 . LYS . 52769 1 148 . ALA . 52769 1 149 . VAL . 52769 1 150 . GLU . 52769 1 151 . ALA . 52769 1 152 . TYR . 52769 1 153 . LEU . 52769 1 154 . LEU . 52769 1 155 . ALA . 52769 1 156 . HIS . 52769 1 157 . PRO . 52769 1 158 . ASP . 52769 1 159 . ALA . 52769 1 160 . TYR . 52769 1 161 . SER . 52769 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 52769 1 . GLY 2 2 52769 1 . VAL 3 3 52769 1 . PHE 4 4 52769 1 . SER 5 5 52769 1 . TYR 6 6 52769 1 . GLU 7 7 52769 1 . ASP 8 8 52769 1 . GLU 9 9 52769 1 . ALA 10 10 52769 1 . THR 11 11 52769 1 . SER 12 12 52769 1 . VAL 13 13 52769 1 . ILE 14 14 52769 1 . PRO 15 15 52769 1 . PRO 16 16 52769 1 . ALA 17 17 52769 1 . ARG 18 18 52769 1 . LEU 19 19 52769 1 . PHE 20 20 52769 1 . LYS 21 21 52769 1 . SER 22 22 52769 1 . PHE 23 23 52769 1 . VAL 24 24 52769 1 . LEU 25 25 52769 1 . ASP 26 26 52769 1 . ALA 27 27 52769 1 . ASP 28 28 52769 1 . ASN 29 29 52769 1 . LEU 30 30 52769 1 . ILE 31 31 52769 1 . PRO 32 32 52769 1 . LYS 33 33 52769 1 . VAL 34 34 52769 1 . ALA 35 35 52769 1 . PRO 36 36 52769 1 . GLN 37 37 52769 1 . HIS 38 38 52769 1 . PHE 39 39 52769 1 . THR 40 40 52769 1 . SER 41 41 52769 1 . ALA 42 42 52769 1 . GLU 43 43 52769 1 . ASN 44 44 52769 1 . LEU 45 45 52769 1 . GLU 46 46 52769 1 . GLY 47 47 52769 1 . ASN 48 48 52769 1 . GLY 49 49 52769 1 . GLY 50 50 52769 1 . PRO 51 51 52769 1 . GLY 52 52 52769 1 . THR 53 53 52769 1 . ILE 54 54 52769 1 . LYS 55 55 52769 1 . LYS 56 56 52769 1 . ILE 57 57 52769 1 . THR 58 58 52769 1 . PHE 59 59 52769 1 . ALA 60 60 52769 1 . GLU 61 61 52769 1 . GLY 62 62 52769 1 . ASN 63 63 52769 1 . GLU 64 64 52769 1 . PHE 65 65 52769 1 . LYS 66 66 52769 1 . TYR 67 67 52769 1 . MET 68 68 52769 1 . LYS 69 69 52769 1 . HIS 70 70 52769 1 . LYS 71 71 52769 1 . VAL 72 72 52769 1 . GLU 73 73 52769 1 . GLU 74 74 52769 1 . ILE 75 75 52769 1 . ASP 76 76 52769 1 . HIS 77 77 52769 1 . ALA 78 78 52769 1 . ASN 79 79 52769 1 . PHE 80 80 52769 1 . LYS 81 81 52769 1 . TYR 82 82 52769 1 . SER 83 83 52769 1 . TYR 84 84 52769 1 . SER 85 85 52769 1 . ILE 86 86 52769 1 . ILE 87 87 52769 1 . GLU 88 88 52769 1 . GLY 89 89 52769 1 . GLY 90 90 52769 1 . PRO 91 91 52769 1 . LEU 92 92 52769 1 . GLY 93 93 52769 1 . HIS 94 94 52769 1 . THR 95 95 52769 1 . LEU 96 96 52769 1 . GLU 97 97 52769 1 . LYS 98 98 52769 1 . ILE 99 99 52769 1 . SER 100 100 52769 1 . TYR 101 101 52769 1 . GLU 102 102 52769 1 . ILE 103 103 52769 1 . LYS 104 104 52769 1 . MET 105 105 52769 1 . ALA 106 106 52769 1 . ALA 107 107 52769 1 . ALA 108 108 52769 1 . PRO 109 109 52769 1 . HIS 110 110 52769 1 . GLY 111 111 52769 1 . GLY 112 112 52769 1 . GLY 113 113 52769 1 . SER 114 114 52769 1 . ILE 115 115 52769 1 . LEU 116 116 52769 1 . LYS 117 117 52769 1 . ILE 118 118 52769 1 . THR 119 119 52769 1 . SER 120 120 52769 1 . LYS 121 121 52769 1 . TYR 122 122 52769 1 . HIS 123 123 52769 1 . THR 124 124 52769 1 . LYS 125 125 52769 1 . GLY 126 126 52769 1 . ASN 127 127 52769 1 . ALA 128 128 52769 1 . SER 129 129 52769 1 . ILE 130 130 52769 1 . ASN 131 131 52769 1 . GLU 132 132 52769 1 . GLU 133 133 52769 1 . GLU 134 134 52769 1 . ILE 135 135 52769 1 . LYS 136 136 52769 1 . ALA 137 137 52769 1 . GLY 138 138 52769 1 . LYS 139 139 52769 1 . GLU 140 140 52769 1 . LYS 141 141 52769 1 . ALA 142 142 52769 1 . ALA 143 143 52769 1 . GLY 144 144 52769 1 . LEU 145 145 52769 1 . PHE 146 146 52769 1 . LYS 147 147 52769 1 . ALA 148 148 52769 1 . VAL 149 149 52769 1 . GLU 150 150 52769 1 . ALA 151 151 52769 1 . TYR 152 152 52769 1 . LEU 153 153 52769 1 . LEU 154 154 52769 1 . ALA 155 155 52769 1 . HIS 156 156 52769 1 . PRO 157 157 52769 1 . ASP 158 158 52769 1 . ALA 159 159 52769 1 . TYR 160 160 52769 1 . SER 161 161 52769 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52769 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 13451 organism . 'Corylus avellana' 'European hazelnut' . . Eukaryota Viridiplantae Corylus avellana . . . . . . . . . . . . . 52769 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52769 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-GB1a . . . 52769 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52769 _Sample.ID 1 _Sample.Name 'sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'Cor a 1.0401_3CS' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 52769 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52769 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 52769 1 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 52769 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 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 pH 7.5 . pH 52769 1 pressure 1 . atm 52769 1 temperature 298 . K 52769 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52769 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52769 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52769 _Software.ID 2 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52769 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52769 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name AV700 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52769 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name AV900 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52769 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52769 1 2 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52769 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52769 1 4 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52769 1 5 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52769 1 6 '3D HCCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52769 1 7 '3D HBHA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52769 1 8 '3D C(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52769 1 9 '3D CCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52769 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52769 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'reference 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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52769 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52769 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52769 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52769 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'chemical shift list' _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 $chem_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 1 '2D 1H-15N HSQC' . . . 52769 1 2 '3D HNCACB' . . . 52769 1 3 '3D HNCA' . . . 52769 1 4 '3D HNCO' . . . 52769 1 5 '2D 1H-13C HSQC' . . . 52769 1 6 '3D HCCH-TOCSY' . . . 52769 1 7 '3D HBHA(CO)NH' . . . 52769 1 8 '3D C(CO)NH' . . . 52769 1 9 '3D CCH-TOCSY' . . . 52769 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52769 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 3 3 VAL C C 13 174.61 0.20 . 1 . . . . . 3 VAL C . 52769 1 2 . 1 . 1 3 3 VAL CA C 13 61.37 0.20 . 1 . . . . . 3 VAL CA . 52769 1 3 . 1 . 1 3 3 VAL CB C 13 33.56 0.20 . 1 . . . . . 3 VAL CB . 52769 1 4 . 1 . 1 4 4 PHE H H 1 8.83 0.03 . 1 . . . . . 4 PHE H . 52769 1 5 . 1 . 1 4 4 PHE HA H 1 4.62 0.03 . 1 . . . . . 4 PHE HA . 52769 1 6 . 1 . 1 4 4 PHE HB2 H 1 3.21 0.03 . 2 . . . . . 4 PHE HB2 . 52769 1 7 . 1 . 1 4 4 PHE HB3 H 1 2.90 0.03 . 2 . . . . . 4 PHE HB3 . 52769 1 8 . 1 . 1 4 4 PHE C C 13 174.36 0.20 . 1 . . . . . 4 PHE C . 52769 1 9 . 1 . 1 4 4 PHE CA C 13 56.91 0.20 . 1 . . . . . 4 PHE CA . 52769 1 10 . 1 . 1 4 4 PHE CB C 13 41.78 0.20 . 1 . . . . . 4 PHE CB . 52769 1 11 . 1 . 1 4 4 PHE N N 15 128.29 0.20 . 1 . . . . . 4 PHE N . 52769 1 12 . 1 . 1 5 5 SER H H 1 8.40 0.03 . 1 . . . . . 5 SER H . 52769 1 13 . 1 . 1 5 5 SER HA H 1 5.58 0.03 . 1 . . . . . 5 SER HA . 52769 1 14 . 1 . 1 5 5 SER HB2 H 1 3.48 0.03 . 2 . . . . . 5 SER HB2 . 52769 1 15 . 1 . 1 5 5 SER HB3 H 1 3.59 0.03 . 2 . . . . . 5 SER HB3 . 52769 1 16 . 1 . 1 5 5 SER C C 13 172.98 0.20 . 1 . . . . . 5 SER C . 52769 1 17 . 1 . 1 5 5 SER CA C 13 57.02 0.20 . 1 . . . . . 5 SER CA . 52769 1 18 . 1 . 1 5 5 SER CB C 13 65.39 0.20 . 1 . . . . . 5 SER CB . 52769 1 19 . 1 . 1 5 5 SER N N 15 118.83 0.20 . 1 . . . . . 5 SER N . 52769 1 20 . 1 . 1 6 6 TYR H H 1 9.13 0.03 . 1 . . . . . 6 TYR H . 52769 1 21 . 1 . 1 6 6 TYR HA H 1 4.72 0.03 . 1 . . . . . 6 TYR HA . 52769 1 22 . 1 . 1 6 6 TYR HB2 H 1 2.93 0.03 . 2 . . . . . 6 TYR HB2 . 52769 1 23 . 1 . 1 6 6 TYR HB3 H 1 3.15 0.03 . 2 . . . . . 6 TYR HB3 . 52769 1 24 . 1 . 1 6 6 TYR C C 13 174.09 0.20 . 1 . . . . . 6 TYR C . 52769 1 25 . 1 . 1 6 6 TYR CA C 13 57.65 0.20 . 1 . . . . . 6 TYR CA . 52769 1 26 . 1 . 1 6 6 TYR CB C 13 41.90 0.20 . 1 . . . . . 6 TYR CB . 52769 1 27 . 1 . 1 6 6 TYR N N 15 123.43 0.20 . 1 . . . . . 6 TYR N . 52769 1 28 . 1 . 1 7 7 GLU H H 1 8.64 0.03 . 1 . . . . . 7 GLU H . 52769 1 29 . 1 . 1 7 7 GLU HA H 1 5.31 0.03 . 1 . . . . . 7 GLU HA . 52769 1 30 . 1 . 1 7 7 GLU HB2 H 1 2.00 0.03 . 2 . . . . . 7 GLU HB2 . 52769 1 31 . 1 . 1 7 7 GLU HB3 H 1 1.92 0.03 . 2 . . . . . 7 GLU HB3 . 52769 1 32 . 1 . 1 7 7 GLU HG2 H 1 2.24 0.03 . 2 . . . . . 7 GLU HG2 . 52769 1 33 . 1 . 1 7 7 GLU HG3 H 1 2.16 0.03 . 2 . . . . . 7 GLU HG3 . 52769 1 34 . 1 . 1 7 7 GLU C C 13 174.93 0.20 . 1 . . . . . 7 GLU C . 52769 1 35 . 1 . 1 7 7 GLU CA C 13 55.19 0.20 . 1 . . . . . 7 GLU CA . 52769 1 36 . 1 . 1 7 7 GLU CB C 13 33.14 0.20 . 1 . . . . . 7 GLU CB . 52769 1 37 . 1 . 1 7 7 GLU CG C 13 36.17 0.20 . 1 . . . . . 7 GLU CG . 52769 1 38 . 1 . 1 7 7 GLU N N 15 121.34 0.20 . 1 . . . . . 7 GLU N . 52769 1 39 . 1 . 1 8 8 ASP H H 1 8.97 0.03 . 1 . . . . . 8 ASP H . 52769 1 40 . 1 . 1 8 8 ASP HA H 1 5.17 0.03 . 1 . . . . . 8 ASP HA . 52769 1 41 . 1 . 1 8 8 ASP HB2 H 1 2.66 0.03 . 2 . . . . . 8 ASP HB2 . 52769 1 42 . 1 . 1 8 8 ASP HB3 H 1 2.53 0.03 . 2 . . . . . 8 ASP HB3 . 52769 1 43 . 1 . 1 8 8 ASP CA C 13 53.41 0.20 . 1 . . . . . 8 ASP CA . 52769 1 44 . 1 . 1 8 8 ASP CB C 13 45.74 0.20 . 1 . . . . . 8 ASP CB . 52769 1 45 . 1 . 1 8 8 ASP N N 15 123.18 0.20 . 1 . . . . . 8 ASP N . 52769 1 46 . 1 . 1 9 9 GLU H H 1 8.62 0.03 . 1 . . . . . 9 GLU H . 52769 1 47 . 1 . 1 9 9 GLU HA H 1 5.46 0.03 . 1 . . . . . 9 GLU HA . 52769 1 48 . 1 . 1 9 9 GLU HB2 H 1 1.99 0.03 . 2 . . . . . 9 GLU HB2 . 52769 1 49 . 1 . 1 9 9 GLU HB3 H 1 1.93 0.03 . 2 . . . . . 9 GLU HB3 . 52769 1 50 . 1 . 1 9 9 GLU HG2 H 1 2.18 0.03 . 2 . . . . . 9 GLU HG2 . 52769 1 51 . 1 . 1 9 9 GLU HG3 H 1 2.10 0.03 . 2 . . . . . 9 GLU HG3 . 52769 1 52 . 1 . 1 9 9 GLU C C 13 174.94 0.20 . 1 . . . . . 9 GLU C . 52769 1 53 . 1 . 1 9 9 GLU CA C 13 54.78 0.20 . 1 . . . . . 9 GLU CA . 52769 1 54 . 1 . 1 9 9 GLU CB C 13 33.40 0.20 . 1 . . . . . 9 GLU CB . 52769 1 55 . 1 . 1 9 9 GLU CG C 13 37.18 0.20 . 1 . . . . . 9 GLU CG . 52769 1 56 . 1 . 1 9 9 GLU N N 15 121.30 0.20 . 1 . . . . . 9 GLU N . 52769 1 57 . 1 . 1 10 10 ALA H H 1 8.98 0.03 . 1 . . . . . 10 ALA H . 52769 1 58 . 1 . 1 10 10 ALA HA H 1 4.81 0.03 . 1 . . . . . 10 ALA HA . 52769 1 59 . 1 . 1 10 10 ALA HB1 H 1 1.19 0.03 . 1 . . . . . 10 ALA MB . 52769 1 60 . 1 . 1 10 10 ALA HB2 H 1 1.19 0.03 . 1 . . . . . 10 ALA MB . 52769 1 61 . 1 . 1 10 10 ALA HB3 H 1 1.19 0.03 . 1 . . . . . 10 ALA MB . 52769 1 62 . 1 . 1 10 10 ALA C C 13 175.47 0.20 . 1 . . . . . 10 ALA C . 52769 1 63 . 1 . 1 10 10 ALA CA C 13 50.81 0.20 . 1 . . . . . 10 ALA CA . 52769 1 64 . 1 . 1 10 10 ALA CB C 13 22.56 0.20 . 1 . . . . . 10 ALA CB . 52769 1 65 . 1 . 1 10 10 ALA N N 15 126.14 0.20 . 1 . . . . . 10 ALA N . 52769 1 66 . 1 . 1 11 11 THR H H 1 8.37 0.03 . 1 . . . . . 11 THR H . 52769 1 67 . 1 . 1 11 11 THR HA H 1 5.04 0.03 . 1 . . . . . 11 THR HA . 52769 1 68 . 1 . 1 11 11 THR HB H 1 4.28 0.03 . 1 . . . . . 11 THR HB . 52769 1 69 . 1 . 1 11 11 THR HG21 H 1 1.22 0.03 . 1 . . . . . 11 THR MG . 52769 1 70 . 1 . 1 11 11 THR HG22 H 1 1.22 0.03 . 1 . . . . . 11 THR MG . 52769 1 71 . 1 . 1 11 11 THR HG23 H 1 1.22 0.03 . 1 . . . . . 11 THR MG . 52769 1 72 . 1 . 1 11 11 THR C C 13 173.35 0.20 . 1 . . . . . 11 THR C . 52769 1 73 . 1 . 1 11 11 THR CA C 13 60.10 0.20 . 1 . . . . . 11 THR CA . 52769 1 74 . 1 . 1 11 11 THR CB C 13 71.66 0.20 . 1 . . . . . 11 THR CB . 52769 1 75 . 1 . 1 11 11 THR CG2 C 13 21.78 0.20 . 1 . . . . . 11 THR CG2 . 52769 1 76 . 1 . 1 11 11 THR N N 15 110.58 0.20 . 1 . . . . . 11 THR N . 52769 1 77 . 1 . 1 12 12 SER H H 1 8.35 0.03 . 1 . . . . . 12 SER H . 52769 1 78 . 1 . 1 12 12 SER HA H 1 5.75 0.03 . 1 . . . . . 12 SER HA . 52769 1 79 . 1 . 1 12 12 SER HB2 H 1 3.38 0.03 . 2 . . . . . 12 SER HB2 . 52769 1 80 . 1 . 1 12 12 SER HB3 H 1 3.79 0.03 . 2 . . . . . 12 SER HB3 . 52769 1 81 . 1 . 1 12 12 SER C C 13 175.37 0.20 . 1 . . . . . 12 SER C . 52769 1 82 . 1 . 1 12 12 SER CA C 13 56.18 0.20 . 1 . . . . . 12 SER CA . 52769 1 83 . 1 . 1 12 12 SER CB C 13 66.05 0.20 . 1 . . . . . 12 SER CB . 52769 1 84 . 1 . 1 12 12 SER N N 15 112.82 0.20 . 1 . . . . . 12 SER N . 52769 1 85 . 1 . 1 13 13 VAL H H 1 8.29 0.03 . 1 . . . . . 13 VAL H . 52769 1 86 . 1 . 1 13 13 VAL HA H 1 4.35 0.03 . 1 . . . . . 13 VAL HA . 52769 1 87 . 1 . 1 13 13 VAL HB H 1 2.40 0.03 . 1 . . . . . 13 VAL HB . 52769 1 88 . 1 . 1 13 13 VAL HG11 H 1 1.05 0.03 . 2 . . . . . 13 VAL MG1 . 52769 1 89 . 1 . 1 13 13 VAL HG12 H 1 1.05 0.03 . 2 . . . . . 13 VAL MG1 . 52769 1 90 . 1 . 1 13 13 VAL HG13 H 1 1.05 0.03 . 2 . . . . . 13 VAL MG1 . 52769 1 91 . 1 . 1 13 13 VAL HG21 H 1 0.94 0.03 . 2 . . . . . 13 VAL MG2 . 52769 1 92 . 1 . 1 13 13 VAL HG22 H 1 0.94 0.03 . 2 . . . . . 13 VAL MG2 . 52769 1 93 . 1 . 1 13 13 VAL HG23 H 1 0.94 0.03 . 2 . . . . . 13 VAL MG2 . 52769 1 94 . 1 . 1 13 13 VAL C C 13 175.90 0.20 . 1 . . . . . 13 VAL C . 52769 1 95 . 1 . 1 13 13 VAL CA C 13 62.77 0.20 . 1 . . . . . 13 VAL CA . 52769 1 96 . 1 . 1 13 13 VAL CB C 13 31.52 0.20 . 1 . . . . . 13 VAL CB . 52769 1 97 . 1 . 1 13 13 VAL CG1 C 13 21.27 0.20 . 2 . . . . . 13 VAL CG1 . 52769 1 98 . 1 . 1 13 13 VAL CG2 C 13 18.90 0.20 . 2 . . . . . 13 VAL CG2 . 52769 1 99 . 1 . 1 13 13 VAL N N 15 120.90 0.20 . 1 . . . . . 13 VAL N . 52769 1 100 . 1 . 1 14 14 ILE H H 1 8.53 0.03 . 1 . . . . . 14 ILE H . 52769 1 101 . 1 . 1 14 14 ILE HG12 H 1 1.51 0.03 . 2 . . . . . 14 ILE HG12 . 52769 1 102 . 1 . 1 14 14 ILE HG13 H 1 1.36 0.03 . 2 . . . . . 14 ILE HG13 . 52769 1 103 . 1 . 1 14 14 ILE HG21 H 1 1.14 0.03 . 1 . . . . . 14 ILE MG . 52769 1 104 . 1 . 1 14 14 ILE HG22 H 1 1.14 0.03 . 1 . . . . . 14 ILE MG . 52769 1 105 . 1 . 1 14 14 ILE HG23 H 1 1.14 0.03 . 1 . . . . . 14 ILE MG . 52769 1 106 . 1 . 1 14 14 ILE HD11 H 1 0.77 0.03 . 1 . . . . . 14 ILE MD . 52769 1 107 . 1 . 1 14 14 ILE HD12 H 1 0.77 0.03 . 1 . . . . . 14 ILE MD . 52769 1 108 . 1 . 1 14 14 ILE HD13 H 1 0.77 0.03 . 1 . . . . . 14 ILE MD . 52769 1 109 . 1 . 1 14 14 ILE CA C 13 57.01 0.20 . 1 . . . . . 14 ILE CA . 52769 1 110 . 1 . 1 14 14 ILE CB C 13 37.16 0.20 . 1 . . . . . 14 ILE CB . 52769 1 111 . 1 . 1 14 14 ILE CG1 C 13 27.29 0.20 . 1 . . . . . 14 ILE CG1 . 52769 1 112 . 1 . 1 14 14 ILE CG2 C 13 16.80 0.20 . 1 . . . . . 14 ILE CG2 . 52769 1 113 . 1 . 1 14 14 ILE CD1 C 13 10.86 0.20 . 1 . . . . . 14 ILE CD1 . 52769 1 114 . 1 . 1 14 14 ILE N N 15 125.21 0.20 . 1 . . . . . 14 ILE N . 52769 1 115 . 1 . 1 16 16 PRO HA H 1 3.92 0.03 . 1 . . . . . 16 PRO HA . 52769 1 116 . 1 . 1 16 16 PRO HB2 H 1 1.00 0.03 . 2 . . . . . 16 PRO HB2 . 52769 1 117 . 1 . 1 16 16 PRO HB3 H 1 1.46 0.03 . 2 . . . . . 16 PRO HB3 . 52769 1 118 . 1 . 1 16 16 PRO HG2 H 1 1.68 0.03 . 2 . . . . . 16 PRO HG2 . 52769 1 119 . 1 . 1 16 16 PRO HG3 H 1 1.84 0.03 . 2 . . . . . 16 PRO HG3 . 52769 1 120 . 1 . 1 16 16 PRO HD2 H 1 3.60 0.03 . 2 . . . . . 16 PRO HD2 . 52769 1 121 . 1 . 1 16 16 PRO HD3 H 1 3.59 0.03 . 2 . . . . . 16 PRO HD3 . 52769 1 122 . 1 . 1 16 16 PRO C C 13 177.56 0.20 . 1 . . . . . 16 PRO C . 52769 1 123 . 1 . 1 16 16 PRO CA C 13 65.70 0.20 . 1 . . . . . 16 PRO CA . 52769 1 124 . 1 . 1 16 16 PRO CB C 13 30.81 0.20 . 1 . . . . . 16 PRO CB . 52769 1 125 . 1 . 1 16 16 PRO CG C 13 27.11 0.20 . 1 . . . . . 16 PRO CG . 52769 1 126 . 1 . 1 16 16 PRO CD C 13 50.20 0.20 . 1 . . . . . 16 PRO CD . 52769 1 127 . 1 . 1 17 17 ALA H H 1 8.25 0.03 . 1 . . . . . 17 ALA H . 52769 1 128 . 1 . 1 17 17 ALA HA H 1 3.85 0.03 . 1 . . . . . 17 ALA HA . 52769 1 129 . 1 . 1 17 17 ALA HB1 H 1 1.51 0.03 . 1 . . . . . 17 ALA MB . 52769 1 130 . 1 . 1 17 17 ALA HB2 H 1 1.51 0.03 . 1 . . . . . 17 ALA MB . 52769 1 131 . 1 . 1 17 17 ALA HB3 H 1 1.51 0.03 . 1 . . . . . 17 ALA MB . 52769 1 132 . 1 . 1 17 17 ALA C C 13 180.21 0.20 . 1 . . . . . 17 ALA C . 52769 1 133 . 1 . 1 17 17 ALA CA C 13 55.78 0.20 . 1 . . . . . 17 ALA CA . 52769 1 134 . 1 . 1 17 17 ALA CB C 13 17.95 0.20 . 1 . . . . . 17 ALA CB . 52769 1 135 . 1 . 1 17 17 ALA N N 15 117.81 0.20 . 1 . . . . . 17 ALA N . 52769 1 136 . 1 . 1 18 18 ARG H H 1 6.84 0.03 . 1 . . . . . 18 ARG H . 52769 1 137 . 1 . 1 18 18 ARG HA H 1 4.16 0.03 . 1 . . . . . 18 ARG HA . 52769 1 138 . 1 . 1 18 18 ARG HB2 H 1 1.67 0.03 . 2 . . . . . 18 ARG HB2 . 52769 1 139 . 1 . 1 18 18 ARG HB3 H 1 1.88 0.03 . 2 . . . . . 18 ARG HB3 . 52769 1 140 . 1 . 1 18 18 ARG HG2 H 1 2.06 0.03 . 2 . . . . . 18 ARG HG2 . 52769 1 141 . 1 . 1 18 18 ARG HG3 H 1 1.36 0.03 . 2 . . . . . 18 ARG HG3 . 52769 1 142 . 1 . 1 18 18 ARG HD3 H 1 3.23 0.03 . 2 . . . . . 18 ARG HD3 . 52769 1 143 . 1 . 1 18 18 ARG C C 13 179.00 0.20 . 1 . . . . . 18 ARG C . 52769 1 144 . 1 . 1 18 18 ARG CA C 13 59.19 0.20 . 1 . . . . . 18 ARG CA . 52769 1 145 . 1 . 1 18 18 ARG CB C 13 29.81 0.20 . 1 . . . . . 18 ARG CB . 52769 1 146 . 1 . 1 18 18 ARG CG C 13 28.86 0.20 . 1 . . . . . 18 ARG CG . 52769 1 147 . 1 . 1 18 18 ARG CD C 13 44.25 0.20 . 1 . . . . . 18 ARG CD . 52769 1 148 . 1 . 1 18 18 ARG N N 15 116.25 0.20 . 1 . . . . . 18 ARG N . 52769 1 149 . 1 . 1 19 19 LEU H H 1 7.70 0.03 . 1 . . . . . 19 LEU H . 52769 1 150 . 1 . 1 19 19 LEU HB2 H 1 1.61 0.03 . 2 . . . . . 19 LEU HB2 . 52769 1 151 . 1 . 1 19 19 LEU HB3 H 1 1.61 0.03 . 2 . . . . . 19 LEU HB3 . 52769 1 152 . 1 . 1 19 19 LEU HG H 1 1.61 0.03 . 1 . . . . . 19 LEU HG . 52769 1 153 . 1 . 1 19 19 LEU HD11 H 1 0.86 0.03 . 2 . . . . . 19 LEU MD1 . 52769 1 154 . 1 . 1 19 19 LEU HD12 H 1 0.86 0.03 . 2 . . . . . 19 LEU MD1 . 52769 1 155 . 1 . 1 19 19 LEU HD13 H 1 0.86 0.03 . 2 . . . . . 19 LEU MD1 . 52769 1 156 . 1 . 1 19 19 LEU HD21 H 1 0.81 0.03 . 2 . . . . . 19 LEU MD2 . 52769 1 157 . 1 . 1 19 19 LEU HD22 H 1 0.81 0.03 . 2 . . . . . 19 LEU MD2 . 52769 1 158 . 1 . 1 19 19 LEU HD23 H 1 0.81 0.03 . 2 . . . . . 19 LEU MD2 . 52769 1 159 . 1 . 1 19 19 LEU C C 13 177.91 0.20 . 1 . . . . . 19 LEU C . 52769 1 160 . 1 . 1 19 19 LEU CA C 13 57.11 0.20 . 1 . . . . . 19 LEU CA . 52769 1 161 . 1 . 1 19 19 LEU CB C 13 42.68 0.20 . 1 . . . . . 19 LEU CB . 52769 1 162 . 1 . 1 19 19 LEU CG C 13 42.68 0.20 . 1 . . . . . 19 LEU CG . 52769 1 163 . 1 . 1 19 19 LEU CD1 C 13 23.88 0.20 . 2 . . . . . 19 LEU CD1 . 52769 1 164 . 1 . 1 19 19 LEU CD2 C 13 24.10 0.20 . 2 . . . . . 19 LEU CD2 . 52769 1 165 . 1 . 1 19 19 LEU N N 15 121.10 0.20 . 1 . . . . . 19 LEU N . 52769 1 166 . 1 . 1 20 20 PHE H H 1 9.18 0.03 . 1 . . . . . 20 PHE H . 52769 1 167 . 1 . 1 20 20 PHE HA H 1 3.88 0.03 . 1 . . . . . 20 PHE HA . 52769 1 168 . 1 . 1 20 20 PHE HB2 H 1 3.31 0.03 . 2 . . . . . 20 PHE HB2 . 52769 1 169 . 1 . 1 20 20 PHE HB3 H 1 2.96 0.03 . 2 . . . . . 20 PHE HB3 . 52769 1 170 . 1 . 1 20 20 PHE C C 13 178.03 0.20 . 1 . . . . . 20 PHE C . 52769 1 171 . 1 . 1 20 20 PHE CA C 13 62.86 0.20 . 1 . . . . . 20 PHE CA . 52769 1 172 . 1 . 1 20 20 PHE CB C 13 40.07 0.20 . 1 . . . . . 20 PHE CB . 52769 1 173 . 1 . 1 20 20 PHE N N 15 119.90 0.20 . 1 . . . . . 20 PHE N . 52769 1 174 . 1 . 1 21 21 LYS H H 1 7.89 0.03 . 1 . . . . . 21 LYS H . 52769 1 175 . 1 . 1 21 21 LYS HA H 1 3.88 0.03 . 1 . . . . . 21 LYS HA . 52769 1 176 . 1 . 1 21 21 LYS HB2 H 1 2.00 0.03 . 2 . . . . . 21 LYS HB2 . 52769 1 177 . 1 . 1 21 21 LYS HB3 H 1 2.09 0.03 . 2 . . . . . 21 LYS HB3 . 52769 1 178 . 1 . 1 21 21 LYS HG3 H 1 1.79 0.03 . 2 . . . . . 21 LYS HG3 . 52769 1 179 . 1 . 1 21 21 LYS HD3 H 1 1.65 0.03 . 2 . . . . . 21 LYS HD3 . 52769 1 180 . 1 . 1 21 21 LYS HE3 H 1 3.05 0.03 . 2 . . . . . 21 LYS HE3 . 52769 1 181 . 1 . 1 21 21 LYS C C 13 174.82 0.20 . 1 . . . . . 21 LYS C . 52769 1 182 . 1 . 1 21 21 LYS CA C 13 59.39 0.20 . 1 . . . . . 21 LYS CA . 52769 1 183 . 1 . 1 21 21 LYS CB C 13 33.20 0.20 . 1 . . . . . 21 LYS CB . 52769 1 184 . 1 . 1 21 21 LYS CG C 13 25.78 0.20 . 1 . . . . . 21 LYS CG . 52769 1 185 . 1 . 1 21 21 LYS CD C 13 29.50 0.20 . 1 . . . . . 21 LYS CD . 52769 1 186 . 1 . 1 21 21 LYS CE C 13 42.02 0.20 . 1 . . . . . 21 LYS CE . 52769 1 187 . 1 . 1 21 21 LYS N N 15 116.13 0.20 . 1 . . . . . 21 LYS N . 52769 1 188 . 1 . 1 22 22 SER H H 1 6.99 0.03 . 1 . . . . . 22 SER H . 52769 1 189 . 1 . 1 22 22 SER HA H 1 3.30 0.03 . 1 . . . . . 22 SER HA . 52769 1 190 . 1 . 1 22 22 SER HB2 H 1 2.55 0.03 . 2 . . . . . 22 SER HB2 . 52769 1 191 . 1 . 1 22 22 SER HB3 H 1 2.88 0.03 . 2 . . . . . 22 SER HB3 . 52769 1 192 . 1 . 1 22 22 SER C C 13 173.12 0.20 . 1 . . . . . 22 SER C . 52769 1 193 . 1 . 1 22 22 SER CA C 13 57.79 0.20 . 1 . . . . . 22 SER CA . 52769 1 194 . 1 . 1 22 22 SER CB C 13 62.87 0.20 . 1 . . . . . 22 SER CB . 52769 1 195 . 1 . 1 22 22 SER N N 15 110.47 0.20 . 1 . . . . . 22 SER N . 52769 1 196 . 1 . 1 23 23 PHE H H 1 8.31 0.03 . 1 . . . . . 23 PHE H . 52769 1 197 . 1 . 1 23 23 PHE HA H 1 3.82 0.03 . 1 . . . . . 23 PHE HA . 52769 1 198 . 1 . 1 23 23 PHE HB3 H 1 2.74 0.03 . 2 . . . . . 23 PHE HB3 . 52769 1 199 . 1 . 1 23 23 PHE C C 13 173.18 0.20 . 1 . . . . . 23 PHE C . 52769 1 200 . 1 . 1 23 23 PHE CA C 13 60.00 0.20 . 1 . . . . . 23 PHE CA . 52769 1 201 . 1 . 1 23 23 PHE CB C 13 40.14 0.20 . 1 . . . . . 23 PHE CB . 52769 1 202 . 1 . 1 23 23 PHE N N 15 119.95 0.20 . 1 . . . . . 23 PHE N . 52769 1 203 . 1 . 1 24 24 VAL H H 1 6.58 0.03 . 1 . . . . . 24 VAL H . 52769 1 204 . 1 . 1 24 24 VAL HA H 1 3.37 0.03 . 1 . . . . . 24 VAL HA . 52769 1 205 . 1 . 1 24 24 VAL HB H 1 1.39 0.03 . 1 . . . . . 24 VAL HB . 52769 1 206 . 1 . 1 24 24 VAL HG11 H 1 -0.38 0.03 . 2 . . . . . 24 VAL MG1 . 52769 1 207 . 1 . 1 24 24 VAL HG12 H 1 -0.38 0.03 . 2 . . . . . 24 VAL MG1 . 52769 1 208 . 1 . 1 24 24 VAL HG13 H 1 -0.38 0.03 . 2 . . . . . 24 VAL MG1 . 52769 1 209 . 1 . 1 24 24 VAL HG21 H 1 0.51 0.03 . 2 . . . . . 24 VAL MG2 . 52769 1 210 . 1 . 1 24 24 VAL HG22 H 1 0.51 0.03 . 2 . . . . . 24 VAL MG2 . 52769 1 211 . 1 . 1 24 24 VAL HG23 H 1 0.51 0.03 . 2 . . . . . 24 VAL MG2 . 52769 1 212 . 1 . 1 24 24 VAL C C 13 178.41 0.20 . 1 . . . . . 24 VAL C . 52769 1 213 . 1 . 1 24 24 VAL CA C 13 63.67 0.20 . 1 . . . . . 24 VAL CA . 52769 1 214 . 1 . 1 24 24 VAL CB C 13 30.26 0.20 . 1 . . . . . 24 VAL CB . 52769 1 215 . 1 . 1 24 24 VAL CG1 C 13 19.85 0.20 . 2 . . . . . 24 VAL CG1 . 52769 1 216 . 1 . 1 24 24 VAL CG2 C 13 21.42 0.20 . 2 . . . . . 24 VAL CG2 . 52769 1 217 . 1 . 1 24 24 VAL N N 15 109.80 0.20 . 1 . . . . . 24 VAL N . 52769 1 218 . 1 . 1 25 25 LEU H H 1 7.63 0.03 . 1 . . . . . 25 LEU H . 52769 1 219 . 1 . 1 25 25 LEU HA H 1 3.76 0.03 . 1 . . . . . 25 LEU HA . 52769 1 220 . 1 . 1 25 25 LEU HB2 H 1 1.98 0.03 . 2 . . . . . 25 LEU HB2 . 52769 1 221 . 1 . 1 25 25 LEU HB3 H 1 1.48 0.03 . 2 . . . . . 25 LEU HB3 . 52769 1 222 . 1 . 1 25 25 LEU HG H 1 1.12 0.03 . 1 . . . . . 25 LEU HG . 52769 1 223 . 1 . 1 25 25 LEU HD11 H 1 0.70 0.03 . 2 . . . . . 25 LEU MD1 . 52769 1 224 . 1 . 1 25 25 LEU HD12 H 1 0.70 0.03 . 2 . . . . . 25 LEU MD1 . 52769 1 225 . 1 . 1 25 25 LEU HD13 H 1 0.70 0.03 . 2 . . . . . 25 LEU MD1 . 52769 1 226 . 1 . 1 25 25 LEU HD21 H 1 1.07 0.03 . 2 . . . . . 25 LEU MD2 . 52769 1 227 . 1 . 1 25 25 LEU HD22 H 1 1.07 0.03 . 2 . . . . . 25 LEU MD2 . 52769 1 228 . 1 . 1 25 25 LEU HD23 H 1 1.07 0.03 . 2 . . . . . 25 LEU MD2 . 52769 1 229 . 1 . 1 25 25 LEU C C 13 177.88 0.20 . 1 . . . . . 25 LEU C . 52769 1 230 . 1 . 1 25 25 LEU CA C 13 57.37 0.20 . 1 . . . . . 25 LEU CA . 52769 1 231 . 1 . 1 25 25 LEU CB C 13 40.36 0.20 . 1 . . . . . 25 LEU CB . 52769 1 232 . 1 . 1 25 25 LEU CG C 13 26.00 0.20 . 1 . . . . . 25 LEU CG . 52769 1 233 . 1 . 1 25 25 LEU CD1 C 13 21.91 0.20 . 2 . . . . . 25 LEU CD1 . 52769 1 234 . 1 . 1 25 25 LEU CD2 C 13 26.03 0.20 . 2 . . . . . 25 LEU CD2 . 52769 1 235 . 1 . 1 25 25 LEU N N 15 114.63 0.20 . 1 . . . . . 25 LEU N . 52769 1 236 . 1 . 1 26 26 ASP H H 1 7.13 0.03 . 1 . . . . . 26 ASP H . 52769 1 237 . 1 . 1 26 26 ASP HA H 1 5.52 0.03 . 1 . . . . . 26 ASP HA . 52769 1 238 . 1 . 1 26 26 ASP HB2 H 1 2.88 0.03 . 2 . . . . . 26 ASP HB2 . 52769 1 239 . 1 . 1 26 26 ASP HB3 H 1 2.62 0.03 . 2 . . . . . 26 ASP HB3 . 52769 1 240 . 1 . 1 26 26 ASP C C 13 176.98 0.20 . 1 . . . . . 26 ASP C . 52769 1 241 . 1 . 1 26 26 ASP CA C 13 52.56 0.20 . 1 . . . . . 26 ASP CA . 52769 1 242 . 1 . 1 26 26 ASP CB C 13 43.04 0.20 . 1 . . . . . 26 ASP CB . 52769 1 243 . 1 . 1 26 26 ASP N N 15 117.70 0.20 . 1 . . . . . 26 ASP N . 52769 1 244 . 1 . 1 27 27 ALA H H 1 6.52 0.03 . 1 . . . . . 27 ALA H . 52769 1 245 . 1 . 1 27 27 ALA HA H 1 3.52 0.03 . 1 . . . . . 27 ALA HA . 52769 1 246 . 1 . 1 27 27 ALA HB1 H 1 1.24 0.03 . 1 . . . . . 27 ALA MB . 52769 1 247 . 1 . 1 27 27 ALA HB2 H 1 1.24 0.03 . 1 . . . . . 27 ALA MB . 52769 1 248 . 1 . 1 27 27 ALA HB3 H 1 1.24 0.03 . 1 . . . . . 27 ALA MB . 52769 1 249 . 1 . 1 27 27 ALA C C 13 178.34 0.20 . 1 . . . . . 27 ALA C . 52769 1 250 . 1 . 1 27 27 ALA CA C 13 56.39 0.20 . 1 . . . . . 27 ALA CA . 52769 1 251 . 1 . 1 27 27 ALA CB C 13 19.05 0.20 . 1 . . . . . 27 ALA CB . 52769 1 252 . 1 . 1 27 27 ALA N N 15 123.01 0.20 . 1 . . . . . 27 ALA N . 52769 1 253 . 1 . 1 28 28 ASP H H 1 8.15 0.03 . 1 . . . . . 28 ASP H . 52769 1 254 . 1 . 1 28 28 ASP HA H 1 4.05 0.03 . 1 . . . . . 28 ASP HA . 52769 1 255 . 1 . 1 28 28 ASP HB2 H 1 2.41 0.03 . 2 . . . . . 28 ASP HB2 . 52769 1 256 . 1 . 1 28 28 ASP HB3 H 1 2.56 0.03 . 2 . . . . . 28 ASP HB3 . 52769 1 257 . 1 . 1 28 28 ASP C C 13 176.35 0.20 . 1 . . . . . 28 ASP C . 52769 1 258 . 1 . 1 28 28 ASP CA C 13 57.14 0.20 . 1 . . . . . 28 ASP CA . 52769 1 259 . 1 . 1 28 28 ASP CB C 13 40.06 0.20 . 1 . . . . . 28 ASP CB . 52769 1 260 . 1 . 1 28 28 ASP N N 15 113.22 0.20 . 1 . . . . . 28 ASP N . 52769 1 261 . 1 . 1 29 29 ASN H H 1 7.15 0.03 . 1 . . . . . 29 ASN H . 52769 1 262 . 1 . 1 29 29 ASN HA H 1 4.73 0.03 . 1 . . . . . 29 ASN HA . 52769 1 263 . 1 . 1 29 29 ASN HB2 H 1 2.73 0.03 . 2 . . . . . 29 ASN HB2 . 52769 1 264 . 1 . 1 29 29 ASN HB3 H 1 2.62 0.03 . 2 . . . . . 29 ASN HB3 . 52769 1 265 . 1 . 1 29 29 ASN C C 13 176.65 0.20 . 1 . . . . . 29 ASN C . 52769 1 266 . 1 . 1 29 29 ASN CA C 13 53.68 0.20 . 1 . . . . . 29 ASN CA . 52769 1 267 . 1 . 1 29 29 ASN CB C 13 40.57 0.20 . 1 . . . . . 29 ASN CB . 52769 1 268 . 1 . 1 29 29 ASN N N 15 111.64 0.20 . 1 . . . . . 29 ASN N . 52769 1 269 . 1 . 1 30 30 LEU H H 1 8.46 0.03 . 1 . . . . . 30 LEU H . 52769 1 270 . 1 . 1 30 30 LEU HA H 1 4.01 0.03 . 1 . . . . . 30 LEU HA . 52769 1 271 . 1 . 1 30 30 LEU HB2 H 1 1.53 0.03 . 2 . . . . . 30 LEU HB2 . 52769 1 272 . 1 . 1 30 30 LEU HB3 H 1 1.32 0.03 . 2 . . . . . 30 LEU HB3 . 52769 1 273 . 1 . 1 30 30 LEU HG H 1 1.14 0.03 . 1 . . . . . 30 LEU HG . 52769 1 274 . 1 . 1 30 30 LEU HD11 H 1 0.57 0.03 . 2 . . . . . 30 LEU MD1 . 52769 1 275 . 1 . 1 30 30 LEU HD12 H 1 0.57 0.03 . 2 . . . . . 30 LEU MD1 . 52769 1 276 . 1 . 1 30 30 LEU HD13 H 1 0.57 0.03 . 2 . . . . . 30 LEU MD1 . 52769 1 277 . 1 . 1 30 30 LEU HD21 H 1 0.51 0.03 . 2 . . . . . 30 LEU MD2 . 52769 1 278 . 1 . 1 30 30 LEU HD22 H 1 0.51 0.03 . 2 . . . . . 30 LEU MD2 . 52769 1 279 . 1 . 1 30 30 LEU HD23 H 1 0.51 0.03 . 2 . . . . . 30 LEU MD2 . 52769 1 280 . 1 . 1 30 30 LEU C C 13 178.13 0.20 . 1 . . . . . 30 LEU C . 52769 1 281 . 1 . 1 30 30 LEU CA C 13 57.48 0.20 . 1 . . . . . 30 LEU CA . 52769 1 282 . 1 . 1 30 30 LEU CB C 13 43.02 0.20 . 1 . . . . . 30 LEU CB . 52769 1 283 . 1 . 1 30 30 LEU CG C 13 26.92 0.20 . 1 . . . . . 30 LEU CG . 52769 1 284 . 1 . 1 30 30 LEU CD1 C 13 26.49 0.20 . 2 . . . . . 30 LEU CD1 . 52769 1 285 . 1 . 1 30 30 LEU CD2 C 13 22.71 0.20 . 2 . . . . . 30 LEU CD2 . 52769 1 286 . 1 . 1 30 30 LEU N N 15 121.07 0.20 . 1 . . . . . 30 LEU N . 52769 1 287 . 1 . 1 31 31 ILE H H 1 8.31 0.03 . 1 . . . . . 31 ILE H . 52769 1 288 . 1 . 1 31 31 ILE HA H 1 3.43 0.03 . 1 . . . . . 31 ILE HA . 52769 1 289 . 1 . 1 31 31 ILE HB H 1 1.63 0.03 . 1 . . . . . 31 ILE HB . 52769 1 290 . 1 . 1 31 31 ILE HG12 H 1 1.01 0.03 . 2 . . . . . 31 ILE HG12 . 52769 1 291 . 1 . 1 31 31 ILE HG13 H 1 1.39 0.03 . 2 . . . . . 31 ILE HG13 . 52769 1 292 . 1 . 1 31 31 ILE HG21 H 1 0.29 0.03 . 1 . . . . . 31 ILE MG . 52769 1 293 . 1 . 1 31 31 ILE HG22 H 1 0.29 0.03 . 1 . . . . . 31 ILE MG . 52769 1 294 . 1 . 1 31 31 ILE HG23 H 1 0.29 0.03 . 1 . . . . . 31 ILE MG . 52769 1 295 . 1 . 1 31 31 ILE HD11 H 1 0.61 0.03 . 1 . . . . . 31 ILE MD . 52769 1 296 . 1 . 1 31 31 ILE HD12 H 1 0.61 0.03 . 1 . . . . . 31 ILE MD . 52769 1 297 . 1 . 1 31 31 ILE HD13 H 1 0.61 0.03 . 1 . . . . . 31 ILE MD . 52769 1 298 . 1 . 1 31 31 ILE CA C 13 66.50 0.20 . 1 . . . . . 31 ILE CA . 52769 1 299 . 1 . 1 31 31 ILE CB C 13 33.60 0.20 . 1 . . . . . 31 ILE CB . 52769 1 300 . 1 . 1 31 31 ILE CG1 C 13 29.79 0.20 . 1 . . . . . 31 ILE CG1 . 52769 1 301 . 1 . 1 31 31 ILE CG2 C 13 17.69 0.20 . 1 . . . . . 31 ILE CG2 . 52769 1 302 . 1 . 1 31 31 ILE CD1 C 13 11.94 0.20 . 1 . . . . . 31 ILE CD1 . 52769 1 303 . 1 . 1 31 31 ILE N N 15 117.96 0.20 . 1 . . . . . 31 ILE N . 52769 1 304 . 1 . 1 32 32 PRO HA H 1 4.26 0.03 . 1 . . . . . 32 PRO HA . 52769 1 305 . 1 . 1 32 32 PRO C C 13 177.45 0.20 . 1 . . . . . 32 PRO C . 52769 1 306 . 1 . 1 32 32 PRO CA C 13 65.57 0.20 . 1 . . . . . 32 PRO CA . 52769 1 307 . 1 . 1 32 32 PRO CB C 13 31.60 0.20 . 1 . . . . . 32 PRO CB . 52769 1 308 . 1 . 1 33 33 LYS H H 1 6.74 0.03 . 1 . . . . . 33 LYS H . 52769 1 309 . 1 . 1 33 33 LYS HA H 1 4.12 0.03 . 1 . . . . . 33 LYS HA . 52769 1 310 . 1 . 1 33 33 LYS HB2 H 1 1.81 0.03 . 2 . . . . . 33 LYS HB2 . 52769 1 311 . 1 . 1 33 33 LYS HB3 H 1 1.76 0.03 . 2 . . . . . 33 LYS HB3 . 52769 1 312 . 1 . 1 33 33 LYS HG2 H 1 1.52 0.03 . 2 . . . . . 33 LYS HG2 . 52769 1 313 . 1 . 1 33 33 LYS HG3 H 1 1.35 0.03 . 2 . . . . . 33 LYS HG3 . 52769 1 314 . 1 . 1 33 33 LYS HE2 H 1 2.90 0.03 . 2 . . . . . 33 LYS HE2 . 52769 1 315 . 1 . 1 33 33 LYS C C 13 178.08 0.20 . 1 . . . . . 33 LYS C . 52769 1 316 . 1 . 1 33 33 LYS CA C 13 58.07 0.20 . 1 . . . . . 33 LYS CA . 52769 1 317 . 1 . 1 33 33 LYS CB C 13 33.13 0.20 . 1 . . . . . 33 LYS CB . 52769 1 318 . 1 . 1 33 33 LYS CG C 13 24.85 0.20 . 1 . . . . . 33 LYS CG . 52769 1 319 . 1 . 1 33 33 LYS N N 15 111.78 0.20 . 1 . . . . . 33 LYS N . 52769 1 320 . 1 . 1 34 34 VAL H H 1 7.60 0.03 . 1 . . . . . 34 VAL H . 52769 1 321 . 1 . 1 34 34 VAL CA C 13 61.92 0.20 . 1 . . . . . 34 VAL CA . 52769 1 322 . 1 . 1 34 34 VAL CB C 13 33.22 0.20 . 1 . . . . . 34 VAL CB . 52769 1 323 . 1 . 1 34 34 VAL N N 15 112.57 0.20 . 1 . . . . . 34 VAL N . 52769 1 324 . 1 . 1 41 41 SER HA H 1 4.70 0.03 . 1 . . . . . 41 SER HA . 52769 1 325 . 1 . 1 41 41 SER HB2 H 1 3.84 0.03 . 2 . . . . . 41 SER HB2 . 52769 1 326 . 1 . 1 41 41 SER HB3 H 1 3.91 0.03 . 2 . . . . . 41 SER HB3 . 52769 1 327 . 1 . 1 41 41 SER C C 13 171.15 0.20 . 1 . . . . . 41 SER C . 52769 1 328 . 1 . 1 41 41 SER CA C 13 58.23 0.20 . 1 . . . . . 41 SER CA . 52769 1 329 . 1 . 1 41 41 SER CB C 13 65.13 0.20 . 1 . . . . . 41 SER CB . 52769 1 330 . 1 . 1 42 42 ALA H H 1 8.69 0.03 . 1 . . . . . 42 ALA H . 52769 1 331 . 1 . 1 42 42 ALA HA H 1 5.13 0.03 . 1 . . . . . 42 ALA HA . 52769 1 332 . 1 . 1 42 42 ALA HB1 H 1 1.00 0.03 . 1 . . . . . 42 ALA MB . 52769 1 333 . 1 . 1 42 42 ALA HB2 H 1 1.00 0.03 . 1 . . . . . 42 ALA MB . 52769 1 334 . 1 . 1 42 42 ALA HB3 H 1 1.00 0.03 . 1 . . . . . 42 ALA MB . 52769 1 335 . 1 . 1 42 42 ALA C C 13 175.46 0.20 . 1 . . . . . 42 ALA C . 52769 1 336 . 1 . 1 42 42 ALA CA C 13 51.04 0.20 . 1 . . . . . 42 ALA CA . 52769 1 337 . 1 . 1 42 42 ALA CB C 13 23.18 0.20 . 1 . . . . . 42 ALA CB . 52769 1 338 . 1 . 1 42 42 ALA N N 15 124.56 0.20 . 1 . . . . . 42 ALA N . 52769 1 339 . 1 . 1 43 43 GLU H H 1 8.34 0.03 . 1 . . . . . 43 GLU H . 52769 1 340 . 1 . 1 43 43 GLU HA H 1 4.59 0.03 . 1 . . . . . 43 GLU HA . 52769 1 341 . 1 . 1 43 43 GLU HB2 H 1 1.89 0.03 . 2 . . . . . 43 GLU HB2 . 52769 1 342 . 1 . 1 43 43 GLU HB3 H 1 1.89 0.03 . 2 . . . . . 43 GLU HB3 . 52769 1 343 . 1 . 1 43 43 GLU HG2 H 1 2.05 0.03 . 2 . . . . . 43 GLU HG2 . 52769 1 344 . 1 . 1 43 43 GLU HG3 H 1 2.05 0.03 . 2 . . . . . 43 GLU HG3 . 52769 1 345 . 1 . 1 43 43 GLU C C 13 174.88 0.20 . 1 . . . . . 43 GLU C . 52769 1 346 . 1 . 1 43 43 GLU CA C 13 54.23 0.20 . 1 . . . . . 43 GLU CA . 52769 1 347 . 1 . 1 43 43 GLU CB C 13 33.98 0.20 . 1 . . . . . 43 GLU CB . 52769 1 348 . 1 . 1 43 43 GLU CG C 13 35.92 0.20 . 1 . . . . . 43 GLU CG . 52769 1 349 . 1 . 1 43 43 GLU N N 15 119.52 0.20 . 1 . . . . . 43 GLU N . 52769 1 350 . 1 . 1 44 44 ASN H H 1 9.15 0.03 . 1 . . . . . 44 ASN H . 52769 1 351 . 1 . 1 44 44 ASN HA H 1 4.83 0.03 . 1 . . . . . 44 ASN HA . 52769 1 352 . 1 . 1 44 44 ASN HB2 H 1 2.77 0.03 . 2 . . . . . 44 ASN HB2 . 52769 1 353 . 1 . 1 44 44 ASN HB3 H 1 2.44 0.03 . 2 . . . . . 44 ASN HB3 . 52769 1 354 . 1 . 1 44 44 ASN C C 13 175.15 0.20 . 1 . . . . . 44 ASN C . 52769 1 355 . 1 . 1 44 44 ASN CA C 13 53.25 0.20 . 1 . . . . . 44 ASN CA . 52769 1 356 . 1 . 1 44 44 ASN CB C 13 37.35 0.20 . 1 . . . . . 44 ASN CB . 52769 1 357 . 1 . 1 44 44 ASN N N 15 123.82 0.20 . 1 . . . . . 44 ASN N . 52769 1 358 . 1 . 1 45 45 LEU H H 1 9.36 0.03 . 1 . . . . . 45 LEU H . 52769 1 359 . 1 . 1 45 45 LEU HA H 1 4.36 0.03 . 1 . . . . . 45 LEU HA . 52769 1 360 . 1 . 1 45 45 LEU HB2 H 1 1.64 0.03 . 2 . . . . . 45 LEU HB2 . 52769 1 361 . 1 . 1 45 45 LEU HB3 H 1 1.64 0.03 . 2 . . . . . 45 LEU HB3 . 52769 1 362 . 1 . 1 45 45 LEU HG H 1 1.63 0.03 . 1 . . . . . 45 LEU HG . 52769 1 363 . 1 . 1 45 45 LEU HD11 H 1 0.86 0.03 . 2 . . . . . 45 LEU MD1 . 52769 1 364 . 1 . 1 45 45 LEU HD12 H 1 0.86 0.03 . 2 . . . . . 45 LEU MD1 . 52769 1 365 . 1 . 1 45 45 LEU HD13 H 1 0.86 0.03 . 2 . . . . . 45 LEU MD1 . 52769 1 366 . 1 . 1 45 45 LEU HD21 H 1 0.79 0.03 . 2 . . . . . 45 LEU MD2 . 52769 1 367 . 1 . 1 45 45 LEU HD22 H 1 0.79 0.03 . 2 . . . . . 45 LEU MD2 . 52769 1 368 . 1 . 1 45 45 LEU HD23 H 1 0.79 0.03 . 2 . . . . . 45 LEU MD2 . 52769 1 369 . 1 . 1 45 45 LEU C C 13 177.53 0.20 . 1 . . . . . 45 LEU C . 52769 1 370 . 1 . 1 45 45 LEU CA C 13 56.15 0.20 . 1 . . . . . 45 LEU CA . 52769 1 371 . 1 . 1 45 45 LEU CB C 13 42.75 0.20 . 1 . . . . . 45 LEU CB . 52769 1 372 . 1 . 1 45 45 LEU CG C 13 26.86 0.20 . 1 . . . . . 45 LEU CG . 52769 1 373 . 1 . 1 45 45 LEU CD1 C 13 25.67 0.20 . 2 . . . . . 45 LEU CD1 . 52769 1 374 . 1 . 1 45 45 LEU CD2 C 13 22.46 0.20 . 2 . . . . . 45 LEU CD2 . 52769 1 375 . 1 . 1 45 45 LEU N N 15 127.10 0.20 . 1 . . . . . 45 LEU N . 52769 1 376 . 1 . 1 46 46 GLU H H 1 7.70 0.03 . 1 . . . . . 46 GLU H . 52769 1 377 . 1 . 1 46 46 GLU HA H 1 4.54 0.03 . 1 . . . . . 46 GLU HA . 52769 1 378 . 1 . 1 46 46 GLU HB2 H 1 1.92 0.03 . 2 . . . . . 46 GLU HB2 . 52769 1 379 . 1 . 1 46 46 GLU HB3 H 1 2.09 0.03 . 2 . . . . . 46 GLU HB3 . 52769 1 380 . 1 . 1 46 46 GLU HG2 H 1 2.17 0.03 . 2 . . . . . 46 GLU HG2 . 52769 1 381 . 1 . 1 46 46 GLU HG3 H 1 2.22 0.03 . 2 . . . . . 46 GLU HG3 . 52769 1 382 . 1 . 1 46 46 GLU C C 13 175.52 0.20 . 1 . . . . . 46 GLU C . 52769 1 383 . 1 . 1 46 46 GLU CA C 13 55.75 0.20 . 1 . . . . . 46 GLU CA . 52769 1 384 . 1 . 1 46 46 GLU CB C 13 33.23 0.20 . 1 . . . . . 46 GLU CB . 52769 1 385 . 1 . 1 46 46 GLU CG C 13 36.18 0.20 . 1 . . . . . 46 GLU CG . 52769 1 386 . 1 . 1 46 46 GLU N N 15 116.43 0.20 . 1 . . . . . 46 GLU N . 52769 1 387 . 1 . 1 47 47 GLY H H 1 8.52 0.03 . 1 . . . . . 47 GLY H . 52769 1 388 . 1 . 1 47 47 GLY HA2 H 1 3.76 0.03 . 2 . . . . . 47 GLY HA2 . 52769 1 389 . 1 . 1 47 47 GLY HA3 H 1 4.63 0.03 . 2 . . . . . 47 GLY HA3 . 52769 1 390 . 1 . 1 47 47 GLY C C 13 173.60 0.20 . 1 . . . . . 47 GLY C . 52769 1 391 . 1 . 1 47 47 GLY CA C 13 44.58 0.20 . 1 . . . . . 47 GLY CA . 52769 1 392 . 1 . 1 47 47 GLY N N 15 110.09 0.20 . 1 . . . . . 47 GLY N . 52769 1 393 . 1 . 1 48 48 ASN H H 1 8.33 0.03 . 1 . . . . . 48 ASN H . 52769 1 394 . 1 . 1 48 48 ASN HA H 1 4.97 0.03 . 1 . . . . . 48 ASN HA . 52769 1 395 . 1 . 1 48 48 ASN HB2 H 1 2.83 0.03 . 2 . . . . . 48 ASN HB2 . 52769 1 396 . 1 . 1 48 48 ASN HB3 H 1 3.01 0.03 . 2 . . . . . 48 ASN HB3 . 52769 1 397 . 1 . 1 48 48 ASN C C 13 176.02 0.20 . 1 . . . . . 48 ASN C . 52769 1 398 . 1 . 1 48 48 ASN CA C 13 52.30 0.20 . 1 . . . . . 48 ASN CA . 52769 1 399 . 1 . 1 48 48 ASN CB C 13 39.58 0.20 . 1 . . . . . 48 ASN CB . 52769 1 400 . 1 . 1 48 48 ASN N N 15 114.28 0.20 . 1 . . . . . 48 ASN N . 52769 1 401 . 1 . 1 49 49 GLY H H 1 8.80 0.03 . 1 . . . . . 49 GLY H . 52769 1 402 . 1 . 1 49 49 GLY HA2 H 1 3.43 0.03 . 2 . . . . . 49 GLY HA2 . 52769 1 403 . 1 . 1 49 49 GLY HA3 H 1 4.77 0.03 . 2 . . . . . 49 GLY HA3 . 52769 1 404 . 1 . 1 49 49 GLY C C 13 174.79 0.20 . 1 . . . . . 49 GLY C . 52769 1 405 . 1 . 1 49 49 GLY CA C 13 45.22 0.20 . 1 . . . . . 49 GLY CA . 52769 1 406 . 1 . 1 49 49 GLY N N 15 110.18 0.20 . 1 . . . . . 49 GLY N . 52769 1 407 . 1 . 1 50 50 GLY H H 1 8.10 0.03 . 1 . . . . . 50 GLY H . 52769 1 408 . 1 . 1 50 50 GLY HA2 H 1 4.49 0.03 . 2 . . . . . 50 GLY HA2 . 52769 1 409 . 1 . 1 50 50 GLY HA3 H 1 4.04 0.03 . 2 . . . . . 50 GLY HA3 . 52769 1 410 . 1 . 1 50 50 GLY CA C 13 44.12 0.20 . 1 . . . . . 50 GLY CA . 52769 1 411 . 1 . 1 50 50 GLY N N 15 106.02 0.20 . 1 . . . . . 50 GLY N . 52769 1 412 . 1 . 1 51 51 PRO HB2 H 1 1.97 0.03 . 2 . . . . . 51 PRO HB2 . 52769 1 413 . 1 . 1 51 51 PRO HB3 H 1 2.31 0.03 . 2 . . . . . 51 PRO HB3 . 52769 1 414 . 1 . 1 51 51 PRO HG2 H 1 1.85 0.03 . 2 . . . . . 51 PRO HG2 . 52769 1 415 . 1 . 1 51 51 PRO HG3 H 1 2.47 0.03 . 2 . . . . . 51 PRO HG3 . 52769 1 416 . 1 . 1 51 51 PRO HD2 H 1 3.27 0.03 . 2 . . . . . 51 PRO HD2 . 52769 1 417 . 1 . 1 51 51 PRO HD3 H 1 3.72 0.03 . 2 . . . . . 51 PRO HD3 . 52769 1 418 . 1 . 1 51 51 PRO C C 13 176.50 0.20 . 1 . . . . . 51 PRO C . 52769 1 419 . 1 . 1 51 51 PRO CA C 13 64.90 0.20 . 1 . . . . . 51 PRO CA . 52769 1 420 . 1 . 1 51 51 PRO CB C 13 31.47 0.20 . 1 . . . . . 51 PRO CB . 52769 1 421 . 1 . 1 51 51 PRO CG C 13 28.97 0.20 . 1 . . . . . 51 PRO CG . 52769 1 422 . 1 . 1 51 51 PRO CD C 13 50.37 0.20 . 1 . . . . . 51 PRO CD . 52769 1 423 . 1 . 1 52 52 GLY H H 1 9.17 0.03 . 1 . . . . . 52 GLY H . 52769 1 424 . 1 . 1 52 52 GLY HA2 H 1 3.50 0.03 . 2 . . . . . 52 GLY HA2 . 52769 1 425 . 1 . 1 52 52 GLY HA3 H 1 4.52 0.03 . 2 . . . . . 52 GLY HA3 . 52769 1 426 . 1 . 1 52 52 GLY C C 13 174.22 0.20 . 1 . . . . . 52 GLY C . 52769 1 427 . 1 . 1 52 52 GLY CA C 13 44.77 0.20 . 1 . . . . . 52 GLY CA . 52769 1 428 . 1 . 1 52 52 GLY N N 15 114.60 0.20 . 1 . . . . . 52 GLY N . 52769 1 429 . 1 . 1 53 53 THR H H 1 8.01 0.03 . 1 . . . . . 53 THR H . 52769 1 430 . 1 . 1 53 53 THR HA H 1 4.58 0.03 . 1 . . . . . 53 THR HA . 52769 1 431 . 1 . 1 53 53 THR HB H 1 3.96 0.03 . 1 . . . . . 53 THR HB . 52769 1 432 . 1 . 1 53 53 THR HG21 H 1 1.13 0.03 . 1 . . . . . 53 THR MG . 52769 1 433 . 1 . 1 53 53 THR HG22 H 1 1.13 0.03 . 1 . . . . . 53 THR MG . 52769 1 434 . 1 . 1 53 53 THR HG23 H 1 1.13 0.03 . 1 . . . . . 53 THR MG . 52769 1 435 . 1 . 1 53 53 THR C C 13 173.33 0.20 . 1 . . . . . 53 THR C . 52769 1 436 . 1 . 1 53 53 THR CA C 13 64.59 0.20 . 1 . . . . . 53 THR CA . 52769 1 437 . 1 . 1 53 53 THR CB C 13 69.94 0.20 . 1 . . . . . 53 THR CB . 52769 1 438 . 1 . 1 53 53 THR CG2 C 13 20.10 0.20 . 1 . . . . . 53 THR CG2 . 52769 1 439 . 1 . 1 53 53 THR N N 15 119.14 0.20 . 1 . . . . . 53 THR N . 52769 1 440 . 1 . 1 54 54 ILE H H 1 8.45 0.03 . 1 . . . . . 54 ILE H . 52769 1 441 . 1 . 1 54 54 ILE HA H 1 5.18 0.03 . 1 . . . . . 54 ILE HA . 52769 1 442 . 1 . 1 54 54 ILE HB H 1 1.85 0.03 . 1 . . . . . 54 ILE HB . 52769 1 443 . 1 . 1 54 54 ILE HG12 H 1 0.84 0.03 . 2 . . . . . 54 ILE HG12 . 52769 1 444 . 1 . 1 54 54 ILE HG13 H 1 1.68 0.03 . 2 . . . . . 54 ILE HG13 . 52769 1 445 . 1 . 1 54 54 ILE HG21 H 1 0.92 0.03 . 1 . . . . . 54 ILE MG . 52769 1 446 . 1 . 1 54 54 ILE HG22 H 1 0.92 0.03 . 1 . . . . . 54 ILE MG . 52769 1 447 . 1 . 1 54 54 ILE HG23 H 1 0.92 0.03 . 1 . . . . . 54 ILE MG . 52769 1 448 . 1 . 1 54 54 ILE HD11 H 1 0.83 0.03 . 1 . . . . . 54 ILE MD . 52769 1 449 . 1 . 1 54 54 ILE HD12 H 1 0.83 0.03 . 1 . . . . . 54 ILE MD . 52769 1 450 . 1 . 1 54 54 ILE HD13 H 1 0.83 0.03 . 1 . . . . . 54 ILE MD . 52769 1 451 . 1 . 1 54 54 ILE C C 13 175.26 0.20 . 1 . . . . . 54 ILE C . 52769 1 452 . 1 . 1 54 54 ILE CA C 13 59.07 0.20 . 1 . . . . . 54 ILE CA . 52769 1 453 . 1 . 1 54 54 ILE CB C 13 39.07 0.20 . 1 . . . . . 54 ILE CB . 52769 1 454 . 1 . 1 54 54 ILE CG1 C 13 27.09 0.20 . 1 . . . . . 54 ILE CG1 . 52769 1 455 . 1 . 1 54 54 ILE CG2 C 13 17.55 0.20 . 1 . . . . . 54 ILE CG2 . 52769 1 456 . 1 . 1 54 54 ILE CD1 C 13 11.62 0.20 . 1 . . . . . 54 ILE CD1 . 52769 1 457 . 1 . 1 54 54 ILE N N 15 126.00 0.20 . 1 . . . . . 54 ILE N . 52769 1 458 . 1 . 1 55 55 LYS H H 1 9.56 0.03 . 1 . . . . . 55 LYS H . 52769 1 459 . 1 . 1 55 55 LYS HA H 1 5.27 0.03 . 1 . . . . . 55 LYS HA . 52769 1 460 . 1 . 1 55 55 LYS HB2 H 1 1.51 0.03 . 2 . . . . . 55 LYS HB2 . 52769 1 461 . 1 . 1 55 55 LYS HB3 H 1 1.50 0.03 . 2 . . . . . 55 LYS HB3 . 52769 1 462 . 1 . 1 55 55 LYS HG2 H 1 1.14 0.03 . 2 . . . . . 55 LYS HG2 . 52769 1 463 . 1 . 1 55 55 LYS HG3 H 1 1.49 0.03 . 2 . . . . . 55 LYS HG3 . 52769 1 464 . 1 . 1 55 55 LYS HE3 H 1 2.74 0.03 . 2 . . . . . 55 LYS HE3 . 52769 1 465 . 1 . 1 55 55 LYS C C 13 175.23 0.20 . 1 . . . . . 55 LYS C . 52769 1 466 . 1 . 1 55 55 LYS CA C 13 54.18 0.20 . 1 . . . . . 55 LYS CA . 52769 1 467 . 1 . 1 55 55 LYS CB C 13 36.56 0.20 . 1 . . . . . 55 LYS CB . 52769 1 468 . 1 . 1 55 55 LYS CG C 13 24.59 0.20 . 1 . . . . . 55 LYS CG . 52769 1 469 . 1 . 1 55 55 LYS CE C 13 41.35 0.20 . 1 . . . . . 55 LYS CE . 52769 1 470 . 1 . 1 55 55 LYS N N 15 126.91 0.20 . 1 . . . . . 55 LYS N . 52769 1 471 . 1 . 1 56 56 LYS H H 1 9.34 0.03 . 1 . . . . . 56 LYS H . 52769 1 472 . 1 . 1 56 56 LYS HA H 1 4.87 0.03 . 1 . . . . . 56 LYS HA . 52769 1 473 . 1 . 1 56 56 LYS HB2 H 1 1.83 0.03 . 2 . . . . . 56 LYS HB2 . 52769 1 474 . 1 . 1 56 56 LYS HB3 H 1 1.50 0.03 . 2 . . . . . 56 LYS HB3 . 52769 1 475 . 1 . 1 56 56 LYS HG2 H 1 1.40 0.03 . 2 . . . . . 56 LYS HG2 . 52769 1 476 . 1 . 1 56 56 LYS HG3 H 1 1.14 0.03 . 2 . . . . . 56 LYS HG3 . 52769 1 477 . 1 . 1 56 56 LYS HE2 H 1 2.41 0.03 . 2 . . . . . 56 LYS HE2 . 52769 1 478 . 1 . 1 56 56 LYS HE3 H 1 2.21 0.03 . 2 . . . . . 56 LYS HE3 . 52769 1 479 . 1 . 1 56 56 LYS C C 13 175.09 0.20 . 1 . . . . . 56 LYS C . 52769 1 480 . 1 . 1 56 56 LYS CA C 13 55.36 0.20 . 1 . . . . . 56 LYS CA . 52769 1 481 . 1 . 1 56 56 LYS CB C 13 35.01 0.20 . 1 . . . . . 56 LYS CB . 52769 1 482 . 1 . 1 56 56 LYS CG C 13 25.60 0.20 . 1 . . . . . 56 LYS CG . 52769 1 483 . 1 . 1 56 56 LYS CE C 13 41.51 0.20 . 1 . . . . . 56 LYS CE . 52769 1 484 . 1 . 1 56 56 LYS N N 15 123.61 0.20 . 1 . . . . . 56 LYS N . 52769 1 485 . 1 . 1 57 57 ILE H H 1 9.37 0.03 . 1 . . . . . 57 ILE H . 52769 1 486 . 1 . 1 57 57 ILE HA H 1 4.64 0.03 . 1 . . . . . 57 ILE HA . 52769 1 487 . 1 . 1 57 57 ILE HB H 1 1.50 0.03 . 1 . . . . . 57 ILE HB . 52769 1 488 . 1 . 1 57 57 ILE HG21 H 1 0.38 0.03 . 1 . . . . . 57 ILE MG . 52769 1 489 . 1 . 1 57 57 ILE HG22 H 1 0.38 0.03 . 1 . . . . . 57 ILE MG . 52769 1 490 . 1 . 1 57 57 ILE HG23 H 1 0.38 0.03 . 1 . . . . . 57 ILE MG . 52769 1 491 . 1 . 1 57 57 ILE HD11 H 1 -0.09 0.03 . 1 . . . . . 57 ILE MD . 52769 1 492 . 1 . 1 57 57 ILE HD12 H 1 -0.09 0.03 . 1 . . . . . 57 ILE MD . 52769 1 493 . 1 . 1 57 57 ILE HD13 H 1 -0.09 0.03 . 1 . . . . . 57 ILE MD . 52769 1 494 . 1 . 1 57 57 ILE CA C 13 58.96 0.20 . 1 . . . . . 57 ILE CA . 52769 1 495 . 1 . 1 57 57 ILE CB C 13 38.49 0.20 . 1 . . . . . 57 ILE CB . 52769 1 496 . 1 . 1 57 57 ILE CG2 C 13 18.00 0.20 . 1 . . . . . 57 ILE CG2 . 52769 1 497 . 1 . 1 57 57 ILE CD1 C 13 11.25 0.20 . 1 . . . . . 57 ILE CD1 . 52769 1 498 . 1 . 1 57 57 ILE N N 15 132.84 0.20 . 1 . . . . . 57 ILE N . 52769 1 499 . 1 . 1 68 68 MET HA H 1 5.22 0.03 . 1 . . . . . 68 MET HA . 52769 1 500 . 1 . 1 68 68 MET C C 13 174.29 0.20 . 1 . . . . . 68 MET C . 52769 1 501 . 1 . 1 68 68 MET CA C 13 54.48 0.20 . 1 . . . . . 68 MET CA . 52769 1 502 . 1 . 1 68 68 MET CB C 13 37.84 0.20 . 1 . . . . . 68 MET CB . 52769 1 503 . 1 . 1 69 69 LYS H H 1 8.87 0.03 . 1 . . . . . 69 LYS H . 52769 1 504 . 1 . 1 69 69 LYS HA H 1 5.46 0.03 . 1 . . . . . 69 LYS HA . 52769 1 505 . 1 . 1 69 69 LYS HB3 H 1 1.72 0.03 . 2 . . . . . 69 LYS HB3 . 52769 1 506 . 1 . 1 69 69 LYS C C 13 176.12 0.20 . 1 . . . . . 69 LYS C . 52769 1 507 . 1 . 1 69 69 LYS CA C 13 54.80 0.20 . 1 . . . . . 69 LYS CA . 52769 1 508 . 1 . 1 69 69 LYS CB C 13 36.67 0.20 . 1 . . . . . 69 LYS CB . 52769 1 509 . 1 . 1 69 69 LYS N N 15 118.26 0.20 . 1 . . . . . 69 LYS N . 52769 1 510 . 1 . 1 70 70 HIS H H 1 9.11 0.03 . 1 . . . . . 70 HIS H . 52769 1 511 . 1 . 1 70 70 HIS CA C 13 52.25 0.20 . 1 . . . . . 70 HIS CA . 52769 1 512 . 1 . 1 70 70 HIS CB C 13 36.60 0.20 . 1 . . . . . 70 HIS CB . 52769 1 513 . 1 . 1 70 70 HIS N N 15 122.70 0.20 . 1 . . . . . 70 HIS N . 52769 1 514 . 1 . 1 71 71 LYS H H 1 9.72 0.03 . 1 . . . . . 71 LYS H . 52769 1 515 . 1 . 1 71 71 LYS HA H 1 5.50 0.03 . 1 . . . . . 71 LYS HA . 52769 1 516 . 1 . 1 71 71 LYS HB2 H 1 1.59 0.03 . 2 . . . . . 71 LYS HB2 . 52769 1 517 . 1 . 1 71 71 LYS HB3 H 1 1.88 0.03 . 2 . . . . . 71 LYS HB3 . 52769 1 518 . 1 . 1 71 71 LYS C C 13 176.22 0.20 . 1 . . . . . 71 LYS C . 52769 1 519 . 1 . 1 71 71 LYS CA C 13 54.16 0.20 . 1 . . . . . 71 LYS CA . 52769 1 520 . 1 . 1 71 71 LYS CB C 13 36.81 0.20 . 1 . . . . . 71 LYS CB . 52769 1 521 . 1 . 1 71 71 LYS N N 15 122.93 0.20 . 1 . . . . . 71 LYS N . 52769 1 522 . 1 . 1 72 72 VAL H H 1 9.27 0.03 . 1 . . . . . 72 VAL H . 52769 1 523 . 1 . 1 72 72 VAL HA H 1 3.83 0.03 . 1 . . . . . 72 VAL HA . 52769 1 524 . 1 . 1 72 72 VAL HB H 1 2.18 0.03 . 1 . . . . . 72 VAL HB . 52769 1 525 . 1 . 1 72 72 VAL HG11 H 1 1.09 0.03 . 2 . . . . . 72 VAL MG1 . 52769 1 526 . 1 . 1 72 72 VAL HG12 H 1 1.09 0.03 . 2 . . . . . 72 VAL MG1 . 52769 1 527 . 1 . 1 72 72 VAL HG13 H 1 1.09 0.03 . 2 . . . . . 72 VAL MG1 . 52769 1 528 . 1 . 1 72 72 VAL HG21 H 1 0.96 0.03 . 2 . . . . . 72 VAL MG2 . 52769 1 529 . 1 . 1 72 72 VAL HG22 H 1 0.96 0.03 . 2 . . . . . 72 VAL MG2 . 52769 1 530 . 1 . 1 72 72 VAL HG23 H 1 0.96 0.03 . 2 . . . . . 72 VAL MG2 . 52769 1 531 . 1 . 1 72 72 VAL C C 13 176.02 0.20 . 1 . . . . . 72 VAL C . 52769 1 532 . 1 . 1 72 72 VAL CA C 13 64.52 0.20 . 1 . . . . . 72 VAL CA . 52769 1 533 . 1 . 1 72 72 VAL CB C 13 32.19 0.20 . 1 . . . . . 72 VAL CB . 52769 1 534 . 1 . 1 72 72 VAL CG1 C 13 21.00 0.20 . 2 . . . . . 72 VAL CG1 . 52769 1 535 . 1 . 1 72 72 VAL CG2 C 13 20.95 0.20 . 2 . . . . . 72 VAL CG2 . 52769 1 536 . 1 . 1 72 72 VAL N N 15 128.62 0.20 . 1 . . . . . 72 VAL N . 52769 1 537 . 1 . 1 73 73 GLU H H 1 8.95 0.03 . 1 . . . . . 73 GLU H . 52769 1 538 . 1 . 1 73 73 GLU HA H 1 4.69 0.03 . 1 . . . . . 73 GLU HA . 52769 1 539 . 1 . 1 73 73 GLU HB2 H 1 1.63 0.03 . 2 . . . . . 73 GLU HB2 . 52769 1 540 . 1 . 1 73 73 GLU HB3 H 1 2.01 0.03 . 2 . . . . . 73 GLU HB3 . 52769 1 541 . 1 . 1 73 73 GLU HG2 H 1 2.22 0.03 . 2 . . . . . 73 GLU HG2 . 52769 1 542 . 1 . 1 73 73 GLU HG3 H 1 2.12 0.03 . 2 . . . . . 73 GLU HG3 . 52769 1 543 . 1 . 1 73 73 GLU C C 13 176.37 0.20 . 1 . . . . . 73 GLU C . 52769 1 544 . 1 . 1 73 73 GLU CA C 13 57.48 0.20 . 1 . . . . . 73 GLU CA . 52769 1 545 . 1 . 1 73 73 GLU CB C 13 30.59 0.20 . 1 . . . . . 73 GLU CB . 52769 1 546 . 1 . 1 73 73 GLU CG C 13 35.36 0.20 . 1 . . . . . 73 GLU CG . 52769 1 547 . 1 . 1 73 73 GLU N N 15 129.02 0.20 . 1 . . . . . 73 GLU N . 52769 1 548 . 1 . 1 74 74 GLU H H 1 7.99 0.03 . 1 . . . . . 74 GLU H . 52769 1 549 . 1 . 1 74 74 GLU HA H 1 4.62 0.03 . 1 . . . . . 74 GLU HA . 52769 1 550 . 1 . 1 74 74 GLU HB2 H 1 1.93 0.03 . 2 . . . . . 74 GLU HB2 . 52769 1 551 . 1 . 1 74 74 GLU HB3 H 1 2.00 0.03 . 2 . . . . . 74 GLU HB3 . 52769 1 552 . 1 . 1 74 74 GLU HG2 H 1 2.20 0.03 . 2 . . . . . 74 GLU HG2 . 52769 1 553 . 1 . 1 74 74 GLU HG3 H 1 2.11 0.03 . 2 . . . . . 74 GLU HG3 . 52769 1 554 . 1 . 1 74 74 GLU C C 13 174.43 0.20 . 1 . . . . . 74 GLU C . 52769 1 555 . 1 . 1 74 74 GLU CA C 13 56.35 0.20 . 1 . . . . . 74 GLU CA . 52769 1 556 . 1 . 1 74 74 GLU CB C 13 33.98 0.20 . 1 . . . . . 74 GLU CB . 52769 1 557 . 1 . 1 74 74 GLU CG C 13 36.50 0.20 . 1 . . . . . 74 GLU CG . 52769 1 558 . 1 . 1 74 74 GLU N N 15 117.58 0.20 . 1 . . . . . 74 GLU N . 52769 1 559 . 1 . 1 75 75 ILE H H 1 8.75 0.03 . 1 . . . . . 75 ILE H . 52769 1 560 . 1 . 1 75 75 ILE HA H 1 4.69 0.03 . 1 . . . . . 75 ILE HA . 52769 1 561 . 1 . 1 75 75 ILE HB H 1 1.93 0.03 . 1 . . . . . 75 ILE HB . 52769 1 562 . 1 . 1 75 75 ILE HG12 H 1 1.56 0.03 . 2 . . . . . 75 ILE HG12 . 52769 1 563 . 1 . 1 75 75 ILE HG13 H 1 1.23 0.03 . 2 . . . . . 75 ILE HG13 . 52769 1 564 . 1 . 1 75 75 ILE HG21 H 1 0.82 0.03 . 1 . . . . . 75 ILE MG . 52769 1 565 . 1 . 1 75 75 ILE HG22 H 1 0.82 0.03 . 1 . . . . . 75 ILE MG . 52769 1 566 . 1 . 1 75 75 ILE HG23 H 1 0.82 0.03 . 1 . . . . . 75 ILE MG . 52769 1 567 . 1 . 1 75 75 ILE HD11 H 1 1.02 0.03 . 1 . . . . . 75 ILE MD . 52769 1 568 . 1 . 1 75 75 ILE HD12 H 1 1.02 0.03 . 1 . . . . . 75 ILE MD . 52769 1 569 . 1 . 1 75 75 ILE HD13 H 1 1.02 0.03 . 1 . . . . . 75 ILE MD . 52769 1 570 . 1 . 1 75 75 ILE C C 13 173.72 0.20 . 1 . . . . . 75 ILE C . 52769 1 571 . 1 . 1 75 75 ILE CA C 13 62.44 0.20 . 1 . . . . . 75 ILE CA . 52769 1 572 . 1 . 1 75 75 ILE CB C 13 41.06 0.20 . 1 . . . . . 75 ILE CB . 52769 1 573 . 1 . 1 75 75 ILE CG1 C 13 27.77 0.20 . 1 . . . . . 75 ILE CG1 . 52769 1 574 . 1 . 1 75 75 ILE CG2 C 13 17.55 0.20 . 1 . . . . . 75 ILE CG2 . 52769 1 575 . 1 . 1 75 75 ILE CD1 C 13 14.54 0.20 . 1 . . . . . 75 ILE CD1 . 52769 1 576 . 1 . 1 75 75 ILE N N 15 122.65 0.20 . 1 . . . . . 75 ILE N . 52769 1 577 . 1 . 1 76 76 ASP H H 1 9.30 0.03 . 1 . . . . . 76 ASP H . 52769 1 578 . 1 . 1 76 76 ASP HA H 1 5.11 0.03 . 1 . . . . . 76 ASP HA . 52769 1 579 . 1 . 1 76 76 ASP HB2 H 1 2.59 0.03 . 2 . . . . . 76 ASP HB2 . 52769 1 580 . 1 . 1 76 76 ASP HB3 H 1 2.96 0.03 . 2 . . . . . 76 ASP HB3 . 52769 1 581 . 1 . 1 76 76 ASP C C 13 176.36 0.20 . 1 . . . . . 76 ASP C . 52769 1 582 . 1 . 1 76 76 ASP CA C 13 51.99 0.20 . 1 . . . . . 76 ASP CA . 52769 1 583 . 1 . 1 76 76 ASP CB C 13 42.17 0.20 . 1 . . . . . 76 ASP CB . 52769 1 584 . 1 . 1 76 76 ASP N N 15 127.32 0.20 . 1 . . . . . 76 ASP N . 52769 1 585 . 1 . 1 77 77 HIS H H 1 8.69 0.03 . 1 . . . . . 77 HIS H . 52769 1 586 . 1 . 1 77 77 HIS HB3 H 1 3.19 0.03 . 2 . . . . . 77 HIS HB3 . 52769 1 587 . 1 . 1 77 77 HIS C C 13 177.11 0.20 . 1 . . . . . 77 HIS C . 52769 1 588 . 1 . 1 77 77 HIS CA C 13 59.58 0.20 . 1 . . . . . 77 HIS CA . 52769 1 589 . 1 . 1 77 77 HIS CB C 13 31.36 0.20 . 1 . . . . . 77 HIS CB . 52769 1 590 . 1 . 1 77 77 HIS N N 15 123.06 0.20 . 1 . . . . . 77 HIS N . 52769 1 591 . 1 . 1 78 78 ALA H H 1 8.05 0.03 . 1 . . . . . 78 ALA H . 52769 1 592 . 1 . 1 78 78 ALA HA H 1 3.85 0.03 . 1 . . . . . 78 ALA HA . 52769 1 593 . 1 . 1 78 78 ALA HB1 H 1 1.31 0.03 . 1 . . . . . 78 ALA MB . 52769 1 594 . 1 . 1 78 78 ALA HB2 H 1 1.31 0.03 . 1 . . . . . 78 ALA MB . 52769 1 595 . 1 . 1 78 78 ALA HB3 H 1 1.31 0.03 . 1 . . . . . 78 ALA MB . 52769 1 596 . 1 . 1 78 78 ALA C C 13 178.08 0.20 . 1 . . . . . 78 ALA C . 52769 1 597 . 1 . 1 78 78 ALA CA C 13 53.93 0.20 . 1 . . . . . 78 ALA CA . 52769 1 598 . 1 . 1 78 78 ALA CB C 13 18.66 0.20 . 1 . . . . . 78 ALA CB . 52769 1 599 . 1 . 1 78 78 ALA N N 15 119.55 0.20 . 1 . . . . . 78 ALA N . 52769 1 600 . 1 . 1 79 79 ASN H H 1 7.14 0.03 . 1 . . . . . 79 ASN H . 52769 1 601 . 1 . 1 79 79 ASN HA H 1 4.50 0.03 . 1 . . . . . 79 ASN HA . 52769 1 602 . 1 . 1 79 79 ASN HB2 H 1 2.18 0.03 . 2 . . . . . 79 ASN HB2 . 52769 1 603 . 1 . 1 79 79 ASN HB3 H 1 2.70 0.03 . 2 . . . . . 79 ASN HB3 . 52769 1 604 . 1 . 1 79 79 ASN C C 13 172.71 0.20 . 1 . . . . . 79 ASN C . 52769 1 605 . 1 . 1 79 79 ASN CA C 13 51.83 0.20 . 1 . . . . . 79 ASN CA . 52769 1 606 . 1 . 1 79 79 ASN CB C 13 39.53 0.20 . 1 . . . . . 79 ASN CB . 52769 1 607 . 1 . 1 79 79 ASN N N 15 111.57 0.20 . 1 . . . . . 79 ASN N . 52769 1 608 . 1 . 1 80 80 PHE H H 1 6.88 0.03 . 1 . . . . . 80 PHE H . 52769 1 609 . 1 . 1 80 80 PHE HA H 1 3.70 0.03 . 1 . . . . . 80 PHE HA . 52769 1 610 . 1 . 1 80 80 PHE HB2 H 1 2.61 0.03 . 2 . . . . . 80 PHE HB2 . 52769 1 611 . 1 . 1 80 80 PHE HB3 H 1 2.77 0.03 . 2 . . . . . 80 PHE HB3 . 52769 1 612 . 1 . 1 80 80 PHE C C 13 173.35 0.20 . 1 . . . . . 80 PHE C . 52769 1 613 . 1 . 1 80 80 PHE CA C 13 56.62 0.20 . 1 . . . . . 80 PHE CA . 52769 1 614 . 1 . 1 80 80 PHE CB C 13 36.14 0.20 . 1 . . . . . 80 PHE CB . 52769 1 615 . 1 . 1 80 80 PHE N N 15 116.47 0.20 . 1 . . . . . 80 PHE N . 52769 1 616 . 1 . 1 81 81 LYS H H 1 7.93 0.03 . 1 . . . . . 81 LYS H . 52769 1 617 . 1 . 1 81 81 LYS HA H 1 5.76 0.03 . 1 . . . . . 81 LYS HA . 52769 1 618 . 1 . 1 81 81 LYS HB2 H 1 1.57 0.03 . 2 . . . . . 81 LYS HB2 . 52769 1 619 . 1 . 1 81 81 LYS HB3 H 1 1.87 0.03 . 2 . . . . . 81 LYS HB3 . 52769 1 620 . 1 . 1 81 81 LYS HG2 H 1 1.32 0.03 . 2 . . . . . 81 LYS HG2 . 52769 1 621 . 1 . 1 81 81 LYS HG3 H 1 1.44 0.03 . 2 . . . . . 81 LYS HG3 . 52769 1 622 . 1 . 1 81 81 LYS HD2 H 1 1.72 0.03 . 2 . . . . . 81 LYS HD2 . 52769 1 623 . 1 . 1 81 81 LYS HD3 H 1 1.61 0.03 . 2 . . . . . 81 LYS HD3 . 52769 1 624 . 1 . 1 81 81 LYS HE3 H 1 2.85 0.03 . 2 . . . . . 81 LYS HE3 . 52769 1 625 . 1 . 1 81 81 LYS C C 13 174.54 0.20 . 1 . . . . . 81 LYS C . 52769 1 626 . 1 . 1 81 81 LYS CA C 13 54.48 0.20 . 1 . . . . . 81 LYS CA . 52769 1 627 . 1 . 1 81 81 LYS CB C 13 36.80 0.20 . 1 . . . . . 81 LYS CB . 52769 1 628 . 1 . 1 81 81 LYS CG C 13 25.60 0.20 . 1 . . . . . 81 LYS CG . 52769 1 629 . 1 . 1 81 81 LYS CD C 13 29.48 0.20 . 1 . . . . . 81 LYS CD . 52769 1 630 . 1 . 1 81 81 LYS CE C 13 41.84 0.20 . 1 . . . . . 81 LYS CE . 52769 1 631 . 1 . 1 81 81 LYS N N 15 117.90 0.20 . 1 . . . . . 81 LYS N . 52769 1 632 . 1 . 1 82 82 TYR H H 1 9.42 0.03 . 1 . . . . . 82 TYR H . 52769 1 633 . 1 . 1 82 82 TYR HA H 1 5.59 0.03 . 1 . . . . . 82 TYR HA . 52769 1 634 . 1 . 1 82 82 TYR HB2 H 1 3.10 0.03 . 2 . . . . . 82 TYR HB2 . 52769 1 635 . 1 . 1 82 82 TYR HB3 H 1 2.88 0.03 . 2 . . . . . 82 TYR HB3 . 52769 1 636 . 1 . 1 82 82 TYR C C 13 173.58 0.20 . 1 . . . . . 82 TYR C . 52769 1 637 . 1 . 1 82 82 TYR CA C 13 55.41 0.20 . 1 . . . . . 82 TYR CA . 52769 1 638 . 1 . 1 82 82 TYR CB C 13 44.30 0.20 . 1 . . . . . 82 TYR CB . 52769 1 639 . 1 . 1 82 82 TYR N N 15 127.89 0.20 . 1 . . . . . 82 TYR N . 52769 1 640 . 1 . 1 83 83 SER H H 1 8.98 0.03 . 1 . . . . . 83 SER H . 52769 1 641 . 1 . 1 83 83 SER HA H 1 5.77 0.03 . 1 . . . . . 83 SER HA . 52769 1 642 . 1 . 1 83 83 SER HB2 H 1 3.96 0.03 . 2 . . . . . 83 SER HB2 . 52769 1 643 . 1 . 1 83 83 SER HB3 H 1 3.80 0.03 . 2 . . . . . 83 SER HB3 . 52769 1 644 . 1 . 1 83 83 SER C C 13 173.18 0.20 . 1 . . . . . 83 SER C . 52769 1 645 . 1 . 1 83 83 SER CA C 13 56.20 0.20 . 1 . . . . . 83 SER CA . 52769 1 646 . 1 . 1 83 83 SER CB C 13 65.43 0.20 . 1 . . . . . 83 SER CB . 52769 1 647 . 1 . 1 83 83 SER N N 15 122.25 0.20 . 1 . . . . . 83 SER N . 52769 1 648 . 1 . 1 84 84 TYR H H 1 8.74 0.03 . 1 . . . . . 84 TYR H . 52769 1 649 . 1 . 1 84 84 TYR HA H 1 5.28 0.03 . 1 . . . . . 84 TYR HA . 52769 1 650 . 1 . 1 84 84 TYR C C 13 171.97 0.20 . 1 . . . . . 84 TYR C . 52769 1 651 . 1 . 1 84 84 TYR CA C 13 56.23 0.20 . 1 . . . . . 84 TYR CA . 52769 1 652 . 1 . 1 84 84 TYR CB C 13 40.85 0.20 . 1 . . . . . 84 TYR CB . 52769 1 653 . 1 . 1 84 84 TYR N N 15 122.51 0.20 . 1 . . . . . 84 TYR N . 52769 1 654 . 1 . 1 85 85 SER H H 1 9.17 0.03 . 1 . . . . . 85 SER H . 52769 1 655 . 1 . 1 85 85 SER HA H 1 5.53 0.03 . 1 . . . . . 85 SER HA . 52769 1 656 . 1 . 1 85 85 SER HB2 H 1 3.43 0.03 . 2 . . . . . 85 SER HB2 . 52769 1 657 . 1 . 1 85 85 SER HB3 H 1 3.50 0.03 . 2 . . . . . 85 SER HB3 . 52769 1 658 . 1 . 1 85 85 SER C C 13 173.89 0.20 . 1 . . . . . 85 SER C . 52769 1 659 . 1 . 1 85 85 SER CA C 13 56.85 0.20 . 1 . . . . . 85 SER CA . 52769 1 660 . 1 . 1 85 85 SER CB C 13 66.48 0.20 . 1 . . . . . 85 SER CB . 52769 1 661 . 1 . 1 85 85 SER N N 15 113.63 0.20 . 1 . . . . . 85 SER N . 52769 1 662 . 1 . 1 86 86 ILE H H 1 9.62 0.03 . 1 . . . . . 86 ILE H . 52769 1 663 . 1 . 1 86 86 ILE C C 13 176.42 0.20 . 1 . . . . . 86 ILE C . 52769 1 664 . 1 . 1 86 86 ILE CA C 13 62.12 0.20 . 1 . . . . . 86 ILE CA . 52769 1 665 . 1 . 1 86 86 ILE CB C 13 38.46 0.20 . 1 . . . . . 86 ILE CB . 52769 1 666 . 1 . 1 86 86 ILE N N 15 124.95 0.20 . 1 . . . . . 86 ILE N . 52769 1 667 . 1 . 1 87 87 ILE H H 1 8.06 0.03 . 1 . . . . . 87 ILE H . 52769 1 668 . 1 . 1 87 87 ILE HA H 1 4.84 0.03 . 1 . . . . . 87 ILE HA . 52769 1 669 . 1 . 1 87 87 ILE HB H 1 2.22 0.03 . 1 . . . . . 87 ILE HB . 52769 1 670 . 1 . 1 87 87 ILE HG12 H 1 0.82 0.03 . 2 . . . . . 87 ILE HG12 . 52769 1 671 . 1 . 1 87 87 ILE HG13 H 1 1.28 0.03 . 2 . . . . . 87 ILE HG13 . 52769 1 672 . 1 . 1 87 87 ILE HG21 H 1 0.84 0.03 . 1 . . . . . 87 ILE MG . 52769 1 673 . 1 . 1 87 87 ILE HG22 H 1 0.84 0.03 . 1 . . . . . 87 ILE MG . 52769 1 674 . 1 . 1 87 87 ILE HG23 H 1 0.84 0.03 . 1 . . . . . 87 ILE MG . 52769 1 675 . 1 . 1 87 87 ILE HD11 H 1 0.92 0.03 . 1 . . . . . 87 ILE MD . 52769 1 676 . 1 . 1 87 87 ILE HD12 H 1 0.92 0.03 . 1 . . . . . 87 ILE MD . 52769 1 677 . 1 . 1 87 87 ILE HD13 H 1 0.92 0.03 . 1 . . . . . 87 ILE MD . 52769 1 678 . 1 . 1 87 87 ILE C C 13 176.11 0.20 . 1 . . . . . 87 ILE C . 52769 1 679 . 1 . 1 87 87 ILE CA C 13 60.97 0.20 . 1 . . . . . 87 ILE CA . 52769 1 680 . 1 . 1 87 87 ILE CB C 13 40.00 0.20 . 1 . . . . . 87 ILE CB . 52769 1 681 . 1 . 1 87 87 ILE CG1 C 13 26.56 0.20 . 1 . . . . . 87 ILE CG1 . 52769 1 682 . 1 . 1 87 87 ILE CG2 C 13 18.94 0.20 . 1 . . . . . 87 ILE CG2 . 52769 1 683 . 1 . 1 87 87 ILE CD1 C 13 14.39 0.20 . 1 . . . . . 87 ILE CD1 . 52769 1 684 . 1 . 1 87 87 ILE N N 15 115.50 0.20 . 1 . . . . . 87 ILE N . 52769 1 685 . 1 . 1 88 88 GLU H H 1 7.59 0.03 . 1 . . . . . 88 GLU H . 52769 1 686 . 1 . 1 88 88 GLU HA H 1 4.40 0.03 . 1 . . . . . 88 GLU HA . 52769 1 687 . 1 . 1 88 88 GLU HB2 H 1 1.76 0.03 . 2 . . . . . 88 GLU HB2 . 52769 1 688 . 1 . 1 88 88 GLU HB3 H 1 2.26 0.03 . 2 . . . . . 88 GLU HB3 . 52769 1 689 . 1 . 1 88 88 GLU HG2 H 1 2.26 0.03 . 2 . . . . . 88 GLU HG2 . 52769 1 690 . 1 . 1 88 88 GLU HG3 H 1 2.44 0.03 . 2 . . . . . 88 GLU HG3 . 52769 1 691 . 1 . 1 88 88 GLU C C 13 175.10 0.20 . 1 . . . . . 88 GLU C . 52769 1 692 . 1 . 1 88 88 GLU CA C 13 57.62 0.20 . 1 . . . . . 88 GLU CA . 52769 1 693 . 1 . 1 88 88 GLU CB C 13 34.89 0.20 . 1 . . . . . 88 GLU CB . 52769 1 694 . 1 . 1 88 88 GLU CG C 13 37.28 0.20 . 1 . . . . . 88 GLU CG . 52769 1 695 . 1 . 1 88 88 GLU N N 15 122.19 0.20 . 1 . . . . . 88 GLU N . 52769 1 696 . 1 . 1 89 89 GLY H H 1 9.08 0.03 . 1 . . . . . 89 GLY H . 52769 1 697 . 1 . 1 89 89 GLY HA2 H 1 4.36 0.03 . 2 . . . . . 89 GLY HA2 . 52769 1 698 . 1 . 1 89 89 GLY HA3 H 1 3.94 0.03 . 2 . . . . . 89 GLY HA3 . 52769 1 699 . 1 . 1 89 89 GLY CA C 13 44.66 0.20 . 1 . . . . . 89 GLY CA . 52769 1 700 . 1 . 1 89 89 GLY N N 15 112.99 0.20 . 1 . . . . . 89 GLY N . 52769 1 701 . 1 . 1 90 90 GLY HA2 H 1 3.90 0.03 . 2 . . . . . 90 GLY HA2 . 52769 1 702 . 1 . 1 90 90 GLY HA3 H 1 4.08 0.03 . 2 . . . . . 90 GLY HA3 . 52769 1 703 . 1 . 1 90 90 GLY CA C 13 45.06 0.20 . 1 . . . . . 90 GLY CA . 52769 1 704 . 1 . 1 91 91 PRO HA H 1 4.51 0.03 . 1 . . . . . 91 PRO HA . 52769 1 705 . 1 . 1 91 91 PRO HB2 H 1 2.31 0.03 . 2 . . . . . 91 PRO HB2 . 52769 1 706 . 1 . 1 91 91 PRO HB3 H 1 1.98 0.03 . 2 . . . . . 91 PRO HB3 . 52769 1 707 . 1 . 1 91 91 PRO HG2 H 1 1.84 0.03 . 2 . . . . . 91 PRO HG2 . 52769 1 708 . 1 . 1 91 91 PRO HG3 H 1 2.13 0.03 . 2 . . . . . 91 PRO HG3 . 52769 1 709 . 1 . 1 91 91 PRO HD2 H 1 3.82 0.03 . 2 . . . . . 91 PRO HD2 . 52769 1 710 . 1 . 1 91 91 PRO HD3 H 1 4.02 0.03 . 2 . . . . . 91 PRO HD3 . 52769 1 711 . 1 . 1 91 91 PRO C C 13 176.50 0.20 . 1 . . . . . 91 PRO C . 52769 1 712 . 1 . 1 91 91 PRO CA C 13 63.59 0.20 . 1 . . . . . 91 PRO CA . 52769 1 713 . 1 . 1 91 91 PRO CB C 13 32.59 0.20 . 1 . . . . . 91 PRO CB . 52769 1 714 . 1 . 1 91 91 PRO CG C 13 27.10 0.20 . 1 . . . . . 91 PRO CG . 52769 1 715 . 1 . 1 91 91 PRO CD C 13 51.67 0.20 . 1 . . . . . 91 PRO CD . 52769 1 716 . 1 . 1 92 92 LEU H H 1 7.61 0.03 . 1 . . . . . 92 LEU H . 52769 1 717 . 1 . 1 92 92 LEU HA H 1 4.12 0.03 . 1 . . . . . 92 LEU HA . 52769 1 718 . 1 . 1 92 92 LEU HB2 H 1 1.63 0.03 . 2 . . . . . 92 LEU HB2 . 52769 1 719 . 1 . 1 92 92 LEU HB3 H 1 1.76 0.03 . 2 . . . . . 92 LEU HB3 . 52769 1 720 . 1 . 1 92 92 LEU HG H 1 1.79 0.03 . 1 . . . . . 92 LEU HG . 52769 1 721 . 1 . 1 92 92 LEU HD11 H 1 0.72 0.03 . 2 . . . . . 92 LEU MD1 . 52769 1 722 . 1 . 1 92 92 LEU HD12 H 1 0.72 0.03 . 2 . . . . . 92 LEU MD1 . 52769 1 723 . 1 . 1 92 92 LEU HD13 H 1 0.72 0.03 . 2 . . . . . 92 LEU MD1 . 52769 1 724 . 1 . 1 92 92 LEU HD21 H 1 0.59 0.03 . 2 . . . . . 92 LEU MD2 . 52769 1 725 . 1 . 1 92 92 LEU HD22 H 1 0.59 0.03 . 2 . . . . . 92 LEU MD2 . 52769 1 726 . 1 . 1 92 92 LEU HD23 H 1 0.59 0.03 . 2 . . . . . 92 LEU MD2 . 52769 1 727 . 1 . 1 92 92 LEU C C 13 177.70 0.20 . 1 . . . . . 92 LEU C . 52769 1 728 . 1 . 1 92 92 LEU CA C 13 56.54 0.20 . 1 . . . . . 92 LEU CA . 52769 1 729 . 1 . 1 92 92 LEU CB C 13 39.71 0.20 . 1 . . . . . 92 LEU CB . 52769 1 730 . 1 . 1 92 92 LEU CG C 13 25.78 0.20 . 1 . . . . . 92 LEU CG . 52769 1 731 . 1 . 1 92 92 LEU CD1 C 13 25.11 0.20 . 2 . . . . . 92 LEU CD1 . 52769 1 732 . 1 . 1 92 92 LEU CD2 C 13 22.66 0.20 . 2 . . . . . 92 LEU CD2 . 52769 1 733 . 1 . 1 92 92 LEU N N 15 118.59 0.20 . 1 . . . . . 92 LEU N . 52769 1 734 . 1 . 1 93 93 GLY H H 1 7.66 0.03 . 1 . . . . . 93 GLY H . 52769 1 735 . 1 . 1 93 93 GLY HA2 H 1 3.87 0.03 . 2 . . . . . 93 GLY HA2 . 52769 1 736 . 1 . 1 93 93 GLY HA3 H 1 4.02 0.03 . 2 . . . . . 93 GLY HA3 . 52769 1 737 . 1 . 1 93 93 GLY CA C 13 46.44 0.20 . 1 . . . . . 93 GLY CA . 52769 1 738 . 1 . 1 93 93 GLY N N 15 104.82 0.20 . 1 . . . . . 93 GLY N . 52769 1 739 . 1 . 1 95 95 THR HA H 1 4.43 0.03 . 1 . . . . . 95 THR HA . 52769 1 740 . 1 . 1 95 95 THR HB H 1 4.30 0.03 . 1 . . . . . 95 THR HB . 52769 1 741 . 1 . 1 95 95 THR HG21 H 1 1.05 0.03 . 1 . . . . . 95 THR MG . 52769 1 742 . 1 . 1 95 95 THR HG22 H 1 1.05 0.03 . 1 . . . . . 95 THR MG . 52769 1 743 . 1 . 1 95 95 THR HG23 H 1 1.05 0.03 . 1 . . . . . 95 THR MG . 52769 1 744 . 1 . 1 95 95 THR C C 13 174.07 0.20 . 1 . . . . . 95 THR C . 52769 1 745 . 1 . 1 95 95 THR CA C 13 62.67 0.20 . 1 . . . . . 95 THR CA . 52769 1 746 . 1 . 1 95 95 THR CB C 13 70.07 0.20 . 1 . . . . . 95 THR CB . 52769 1 747 . 1 . 1 95 95 THR CG2 C 13 21.90 0.20 . 1 . . . . . 95 THR CG2 . 52769 1 748 . 1 . 1 96 96 LEU H H 1 7.77 0.03 . 1 . . . . . 96 LEU H . 52769 1 749 . 1 . 1 96 96 LEU HA H 1 5.00 0.03 . 1 . . . . . 96 LEU HA . 52769 1 750 . 1 . 1 96 96 LEU HB2 H 1 1.16 0.03 . 2 . . . . . 96 LEU HB2 . 52769 1 751 . 1 . 1 96 96 LEU HB3 H 1 2.02 0.03 . 2 . . . . . 96 LEU HB3 . 52769 1 752 . 1 . 1 96 96 LEU HG H 1 1.26 0.03 . 1 . . . . . 96 LEU HG . 52769 1 753 . 1 . 1 96 96 LEU HD11 H 1 0.97 0.03 . 2 . . . . . 96 LEU MD1 . 52769 1 754 . 1 . 1 96 96 LEU HD12 H 1 0.97 0.03 . 2 . . . . . 96 LEU MD1 . 52769 1 755 . 1 . 1 96 96 LEU HD13 H 1 0.97 0.03 . 2 . . . . . 96 LEU MD1 . 52769 1 756 . 1 . 1 96 96 LEU HD21 H 1 1.12 0.03 . 2 . . . . . 96 LEU MD2 . 52769 1 757 . 1 . 1 96 96 LEU HD22 H 1 1.12 0.03 . 2 . . . . . 96 LEU MD2 . 52769 1 758 . 1 . 1 96 96 LEU HD23 H 1 1.12 0.03 . 2 . . . . . 96 LEU MD2 . 52769 1 759 . 1 . 1 96 96 LEU C C 13 175.65 0.20 . 1 . . . . . 96 LEU C . 52769 1 760 . 1 . 1 96 96 LEU CA C 13 54.29 0.20 . 1 . . . . . 96 LEU CA . 52769 1 761 . 1 . 1 96 96 LEU CB C 13 44.04 0.20 . 1 . . . . . 96 LEU CB . 52769 1 762 . 1 . 1 96 96 LEU CG C 13 28.60 0.20 . 1 . . . . . 96 LEU CG . 52769 1 763 . 1 . 1 96 96 LEU CD1 C 13 25.40 0.20 . 2 . . . . . 96 LEU CD1 . 52769 1 764 . 1 . 1 96 96 LEU CD2 C 13 26.09 0.20 . 2 . . . . . 96 LEU CD2 . 52769 1 765 . 1 . 1 96 96 LEU N N 15 121.11 0.20 . 1 . . . . . 96 LEU N . 52769 1 766 . 1 . 1 97 97 GLU H H 1 9.18 0.03 . 1 . . . . . 97 GLU H . 52769 1 767 . 1 . 1 97 97 GLU HA H 1 4.32 0.03 . 1 . . . . . 97 GLU HA . 52769 1 768 . 1 . 1 97 97 GLU HB2 H 1 1.89 0.03 . 2 . . . . . 97 GLU HB2 . 52769 1 769 . 1 . 1 97 97 GLU HB3 H 1 1.89 0.03 . 2 . . . . . 97 GLU HB3 . 52769 1 770 . 1 . 1 97 97 GLU HG2 H 1 2.08 0.03 . 2 . . . . . 97 GLU HG2 . 52769 1 771 . 1 . 1 97 97 GLU HG3 H 1 2.17 0.03 . 2 . . . . . 97 GLU HG3 . 52769 1 772 . 1 . 1 97 97 GLU C C 13 176.04 0.20 . 1 . . . . . 97 GLU C . 52769 1 773 . 1 . 1 97 97 GLU CA C 13 57.06 0.20 . 1 . . . . . 97 GLU CA . 52769 1 774 . 1 . 1 97 97 GLU CB C 13 31.85 0.20 . 1 . . . . . 97 GLU CB . 52769 1 775 . 1 . 1 97 97 GLU CG C 13 36.17 0.20 . 1 . . . . . 97 GLU CG . 52769 1 776 . 1 . 1 97 97 GLU N N 15 121.70 0.20 . 1 . . . . . 97 GLU N . 52769 1 777 . 1 . 1 98 98 LYS H H 1 7.60 0.03 . 1 . . . . . 98 LYS H . 52769 1 778 . 1 . 1 98 98 LYS HA H 1 4.72 0.03 . 1 . . . . . 98 LYS HA . 52769 1 779 . 1 . 1 98 98 LYS HB2 H 1 1.61 0.03 . 2 . . . . . 98 LYS HB2 . 52769 1 780 . 1 . 1 98 98 LYS HB3 H 1 1.72 0.03 . 2 . . . . . 98 LYS HB3 . 52769 1 781 . 1 . 1 98 98 LYS HG2 H 1 1.19 0.03 . 2 . . . . . 98 LYS HG2 . 52769 1 782 . 1 . 1 98 98 LYS HG3 H 1 0.94 0.03 . 2 . . . . . 98 LYS HG3 . 52769 1 783 . 1 . 1 98 98 LYS HD3 H 1 1.25 0.03 . 2 . . . . . 98 LYS HD3 . 52769 1 784 . 1 . 1 98 98 LYS HE2 H 1 2.08 0.03 . 2 . . . . . 98 LYS HE2 . 52769 1 785 . 1 . 1 98 98 LYS HE3 H 1 2.13 0.03 . 2 . . . . . 98 LYS HE3 . 52769 1 786 . 1 . 1 98 98 LYS C C 13 174.08 0.20 . 1 . . . . . 98 LYS C . 52769 1 787 . 1 . 1 98 98 LYS CA C 13 56.57 0.20 . 1 . . . . . 98 LYS CA . 52769 1 788 . 1 . 1 98 98 LYS CB C 13 35.09 0.20 . 1 . . . . . 98 LYS CB . 52769 1 789 . 1 . 1 98 98 LYS CG C 13 24.25 0.20 . 1 . . . . . 98 LYS CG . 52769 1 790 . 1 . 1 98 98 LYS CD C 13 29.53 0.20 . 1 . . . . . 98 LYS CD . 52769 1 791 . 1 . 1 98 98 LYS CE C 13 40.86 0.20 . 1 . . . . . 98 LYS CE . 52769 1 792 . 1 . 1 98 98 LYS N N 15 114.27 0.20 . 1 . . . . . 98 LYS N . 52769 1 793 . 1 . 1 99 99 ILE H H 1 7.58 0.03 . 1 . . . . . 99 ILE H . 52769 1 794 . 1 . 1 99 99 ILE HA H 1 4.75 0.03 . 1 . . . . . 99 ILE HA . 52769 1 795 . 1 . 1 99 99 ILE HB H 1 1.18 0.03 . 1 . . . . . 99 ILE HB . 52769 1 796 . 1 . 1 99 99 ILE HG12 H 1 0.56 0.03 . 2 . . . . . 99 ILE HG12 . 52769 1 797 . 1 . 1 99 99 ILE HG13 H 1 1.36 0.03 . 2 . . . . . 99 ILE HG13 . 52769 1 798 . 1 . 1 99 99 ILE HG21 H 1 -0.18 0.03 . 1 . . . . . 99 ILE MG . 52769 1 799 . 1 . 1 99 99 ILE HG22 H 1 -0.18 0.03 . 1 . . . . . 99 ILE MG . 52769 1 800 . 1 . 1 99 99 ILE HG23 H 1 -0.18 0.03 . 1 . . . . . 99 ILE MG . 52769 1 801 . 1 . 1 99 99 ILE HD11 H 1 0.75 0.03 . 1 . . . . . 99 ILE MD . 52769 1 802 . 1 . 1 99 99 ILE HD12 H 1 0.75 0.03 . 1 . . . . . 99 ILE MD . 52769 1 803 . 1 . 1 99 99 ILE HD13 H 1 0.75 0.03 . 1 . . . . . 99 ILE MD . 52769 1 804 . 1 . 1 99 99 ILE C C 13 174.97 0.20 . 1 . . . . . 99 ILE C . 52769 1 805 . 1 . 1 99 99 ILE CA C 13 60.83 0.20 . 1 . . . . . 99 ILE CA . 52769 1 806 . 1 . 1 99 99 ILE CB C 13 42.15 0.20 . 1 . . . . . 99 ILE CB . 52769 1 807 . 1 . 1 99 99 ILE CG1 C 13 27.37 0.20 . 1 . . . . . 99 ILE CG1 . 52769 1 808 . 1 . 1 99 99 ILE CG2 C 13 16.09 0.20 . 1 . . . . . 99 ILE CG2 . 52769 1 809 . 1 . 1 99 99 ILE CD1 C 13 14.82 0.20 . 1 . . . . . 99 ILE CD1 . 52769 1 810 . 1 . 1 99 99 ILE N N 15 121.97 0.20 . 1 . . . . . 99 ILE N . 52769 1 811 . 1 . 1 100 100 SER H H 1 9.30 0.03 . 1 . . . . . 100 SER H . 52769 1 812 . 1 . 1 100 100 SER HA H 1 4.97 0.03 . 1 . . . . . 100 SER HA . 52769 1 813 . 1 . 1 100 100 SER HB2 H 1 3.48 0.03 . 2 . . . . . 100 SER HB2 . 52769 1 814 . 1 . 1 100 100 SER HB3 H 1 3.89 0.03 . 2 . . . . . 100 SER HB3 . 52769 1 815 . 1 . 1 100 100 SER C C 13 171.81 0.20 . 1 . . . . . 100 SER C . 52769 1 816 . 1 . 1 100 100 SER CA C 13 57.37 0.20 . 1 . . . . . 100 SER CA . 52769 1 817 . 1 . 1 100 100 SER CB C 13 65.58 0.20 . 1 . . . . . 100 SER CB . 52769 1 818 . 1 . 1 100 100 SER N N 15 123.14 0.20 . 1 . . . . . 100 SER N . 52769 1 819 . 1 . 1 101 101 TYR H H 1 9.00 0.03 . 1 . . . . . 101 TYR H . 52769 1 820 . 1 . 1 101 101 TYR HA H 1 5.34 0.03 . 1 . . . . . 101 TYR HA . 52769 1 821 . 1 . 1 101 101 TYR HB2 H 1 2.24 0.03 . 2 . . . . . 101 TYR HB2 . 52769 1 822 . 1 . 1 101 101 TYR HB3 H 1 1.93 0.03 . 2 . . . . . 101 TYR HB3 . 52769 1 823 . 1 . 1 101 101 TYR C C 13 175.91 0.20 . 1 . . . . . 101 TYR C . 52769 1 824 . 1 . 1 101 101 TYR CA C 13 56.88 0.20 . 1 . . . . . 101 TYR CA . 52769 1 825 . 1 . 1 101 101 TYR CB C 13 42.60 0.20 . 1 . . . . . 101 TYR CB . 52769 1 826 . 1 . 1 101 101 TYR N N 15 121.89 0.20 . 1 . . . . . 101 TYR N . 52769 1 827 . 1 . 1 102 102 GLU H H 1 8.93 0.03 . 1 . . . . . 102 GLU H . 52769 1 828 . 1 . 1 102 102 GLU HA H 1 5.08 0.03 . 1 . . . . . 102 GLU HA . 52769 1 829 . 1 . 1 102 102 GLU HB2 H 1 2.00 0.03 . 2 . . . . . 102 GLU HB2 . 52769 1 830 . 1 . 1 102 102 GLU HB3 H 1 2.01 0.03 . 2 . . . . . 102 GLU HB3 . 52769 1 831 . 1 . 1 102 102 GLU HG2 H 1 2.10 0.03 . 2 . . . . . 102 GLU HG2 . 52769 1 832 . 1 . 1 102 102 GLU HG3 H 1 2.17 0.03 . 2 . . . . . 102 GLU HG3 . 52769 1 833 . 1 . 1 102 102 GLU C C 13 174.89 0.20 . 1 . . . . . 102 GLU C . 52769 1 834 . 1 . 1 102 102 GLU CA C 13 55.57 0.20 . 1 . . . . . 102 GLU CA . 52769 1 835 . 1 . 1 102 102 GLU CB C 13 33.40 0.20 . 1 . . . . . 102 GLU CB . 52769 1 836 . 1 . 1 102 102 GLU CG C 13 36.90 0.20 . 1 . . . . . 102 GLU CG . 52769 1 837 . 1 . 1 102 102 GLU N N 15 121.65 0.20 . 1 . . . . . 102 GLU N . 52769 1 838 . 1 . 1 103 103 ILE H H 1 9.82 0.03 . 1 . . . . . 103 ILE H . 52769 1 839 . 1 . 1 103 103 ILE HA H 1 4.99 0.03 . 1 . . . . . 103 ILE HA . 52769 1 840 . 1 . 1 103 103 ILE HB H 1 2.25 0.03 . 1 . . . . . 103 ILE HB . 52769 1 841 . 1 . 1 103 103 ILE HG12 H 1 1.33 0.03 . 2 . . . . . 103 ILE HG12 . 52769 1 842 . 1 . 1 103 103 ILE HG13 H 1 1.77 0.03 . 2 . . . . . 103 ILE HG13 . 52769 1 843 . 1 . 1 103 103 ILE HG21 H 1 1.00 0.03 . 1 . . . . . 103 ILE MG . 52769 1 844 . 1 . 1 103 103 ILE HG22 H 1 1.00 0.03 . 1 . . . . . 103 ILE MG . 52769 1 845 . 1 . 1 103 103 ILE HG23 H 1 1.00 0.03 . 1 . . . . . 103 ILE MG . 52769 1 846 . 1 . 1 103 103 ILE HD11 H 1 1.13 0.03 . 1 . . . . . 103 ILE MD . 52769 1 847 . 1 . 1 103 103 ILE HD12 H 1 1.13 0.03 . 1 . . . . . 103 ILE MD . 52769 1 848 . 1 . 1 103 103 ILE HD13 H 1 1.13 0.03 . 1 . . . . . 103 ILE MD . 52769 1 849 . 1 . 1 103 103 ILE C C 13 174.24 0.20 . 1 . . . . . 103 ILE C . 52769 1 850 . 1 . 1 103 103 ILE CA C 13 60.79 0.20 . 1 . . . . . 103 ILE CA . 52769 1 851 . 1 . 1 103 103 ILE CB C 13 40.71 0.20 . 1 . . . . . 103 ILE CB . 52769 1 852 . 1 . 1 103 103 ILE CG1 C 13 28.75 0.20 . 1 . . . . . 103 ILE CG1 . 52769 1 853 . 1 . 1 103 103 ILE CG2 C 13 17.65 0.20 . 1 . . . . . 103 ILE CG2 . 52769 1 854 . 1 . 1 103 103 ILE CD1 C 13 14.36 0.20 . 1 . . . . . 103 ILE CD1 . 52769 1 855 . 1 . 1 103 103 ILE N N 15 127.59 0.20 . 1 . . . . . 103 ILE N . 52769 1 856 . 1 . 1 104 104 LYS H H 1 9.06 0.03 . 1 . . . . . 104 LYS H . 52769 1 857 . 1 . 1 104 104 LYS HA H 1 5.54 0.03 . 1 . . . . . 104 LYS HA . 52769 1 858 . 1 . 1 104 104 LYS HB2 H 1 1.99 0.03 . 2 . . . . . 104 LYS HB2 . 52769 1 859 . 1 . 1 104 104 LYS HB3 H 1 1.79 0.03 . 2 . . . . . 104 LYS HB3 . 52769 1 860 . 1 . 1 104 104 LYS HG2 H 1 1.43 0.03 . 2 . . . . . 104 LYS HG2 . 52769 1 861 . 1 . 1 104 104 LYS HG3 H 1 1.48 0.03 . 2 . . . . . 104 LYS HG3 . 52769 1 862 . 1 . 1 104 104 LYS HD2 H 1 1.80 0.03 . 2 . . . . . 104 LYS HD2 . 52769 1 863 . 1 . 1 104 104 LYS HD3 H 1 1.60 0.03 . 2 . . . . . 104 LYS HD3 . 52769 1 864 . 1 . 1 104 104 LYS HE2 H 1 2.96 0.03 . 2 . . . . . 104 LYS HE2 . 52769 1 865 . 1 . 1 104 104 LYS HE3 H 1 2.98 0.03 . 2 . . . . . 104 LYS HE3 . 52769 1 866 . 1 . 1 104 104 LYS C C 13 175.74 0.20 . 1 . . . . . 104 LYS C . 52769 1 867 . 1 . 1 104 104 LYS CA C 13 54.72 0.20 . 1 . . . . . 104 LYS CA . 52769 1 868 . 1 . 1 104 104 LYS CB C 13 36.15 0.20 . 1 . . . . . 104 LYS CB . 52769 1 869 . 1 . 1 104 104 LYS CG C 13 25.41 0.20 . 1 . . . . . 104 LYS CG . 52769 1 870 . 1 . 1 104 104 LYS CD C 13 29.58 0.20 . 1 . . . . . 104 LYS CD . 52769 1 871 . 1 . 1 104 104 LYS CE C 13 42.33 0.20 . 1 . . . . . 104 LYS CE . 52769 1 872 . 1 . 1 104 104 LYS N N 15 127.50 0.20 . 1 . . . . . 104 LYS N . 52769 1 873 . 1 . 1 105 105 MET H H 1 8.65 0.03 . 1 . . . . . 105 MET H . 52769 1 874 . 1 . 1 105 105 MET HA H 1 5.50 0.03 . 1 . . . . . 105 MET HA . 52769 1 875 . 1 . 1 105 105 MET HB2 H 1 1.79 0.03 . 2 . . . . . 105 MET HB2 . 52769 1 876 . 1 . 1 105 105 MET HB3 H 1 2.07 0.03 . 2 . . . . . 105 MET HB3 . 52769 1 877 . 1 . 1 105 105 MET HG2 H 1 2.45 0.03 . 2 . . . . . 105 MET HG2 . 52769 1 878 . 1 . 1 105 105 MET HG3 H 1 2.73 0.03 . 2 . . . . . 105 MET HG3 . 52769 1 879 . 1 . 1 105 105 MET C C 13 173.84 0.20 . 1 . . . . . 105 MET C . 52769 1 880 . 1 . 1 105 105 MET CA C 13 54.16 0.20 . 1 . . . . . 105 MET CA . 52769 1 881 . 1 . 1 105 105 MET CB C 13 34.70 0.20 . 1 . . . . . 105 MET CB . 52769 1 882 . 1 . 1 105 105 MET CG C 13 33.35 0.20 . 1 . . . . . 105 MET CG . 52769 1 883 . 1 . 1 105 105 MET N N 15 122.72 0.20 . 1 . . . . . 105 MET N . 52769 1 884 . 1 . 1 106 106 ALA H H 1 8.65 0.03 . 1 . . . . . 106 ALA H . 52769 1 885 . 1 . 1 106 106 ALA HA H 1 4.71 0.03 . 1 . . . . . 106 ALA HA . 52769 1 886 . 1 . 1 106 106 ALA HB1 H 1 1.41 0.03 . 1 . . . . . 106 ALA MB . 52769 1 887 . 1 . 1 106 106 ALA HB2 H 1 1.41 0.03 . 1 . . . . . 106 ALA MB . 52769 1 888 . 1 . 1 106 106 ALA HB3 H 1 1.41 0.03 . 1 . . . . . 106 ALA MB . 52769 1 889 . 1 . 1 106 106 ALA C C 13 176.06 0.20 . 1 . . . . . 106 ALA C . 52769 1 890 . 1 . 1 106 106 ALA CA C 13 50.45 0.20 . 1 . . . . . 106 ALA CA . 52769 1 891 . 1 . 1 106 106 ALA CB C 13 22.80 0.20 . 1 . . . . . 106 ALA CB . 52769 1 892 . 1 . 1 106 106 ALA N N 15 121.94 0.20 . 1 . . . . . 106 ALA N . 52769 1 893 . 1 . 1 107 107 ALA H H 1 8.87 0.03 . 1 . . . . . 107 ALA H . 52769 1 894 . 1 . 1 107 107 ALA HA H 1 4.29 0.03 . 1 . . . . . 107 ALA HA . 52769 1 895 . 1 . 1 107 107 ALA HB1 H 1 1.42 0.03 . 1 . . . . . 107 ALA MB . 52769 1 896 . 1 . 1 107 107 ALA HB2 H 1 1.42 0.03 . 1 . . . . . 107 ALA MB . 52769 1 897 . 1 . 1 107 107 ALA HB3 H 1 1.42 0.03 . 1 . . . . . 107 ALA MB . 52769 1 898 . 1 . 1 107 107 ALA C C 13 177.37 0.20 . 1 . . . . . 107 ALA C . 52769 1 899 . 1 . 1 107 107 ALA CA C 13 52.47 0.20 . 1 . . . . . 107 ALA CA . 52769 1 900 . 1 . 1 107 107 ALA CB C 13 18.39 0.20 . 1 . . . . . 107 ALA CB . 52769 1 901 . 1 . 1 107 107 ALA N N 15 123.27 0.20 . 1 . . . . . 107 ALA N . 52769 1 902 . 1 . 1 108 108 ALA H H 1 7.98 0.03 . 1 . . . . . 108 ALA H . 52769 1 903 . 1 . 1 108 108 ALA CA C 13 50.22 0.20 . 1 . . . . . 108 ALA CA . 52769 1 904 . 1 . 1 108 108 ALA CB C 13 18.20 0.20 . 1 . . . . . 108 ALA CB . 52769 1 905 . 1 . 1 108 108 ALA N N 15 126.13 0.20 . 1 . . . . . 108 ALA N . 52769 1 906 . 1 . 1 109 109 PRO HA H 1 4.58 0.03 . 1 . . . . . 109 PRO HA . 52769 1 907 . 1 . 1 109 109 PRO HG2 H 1 1.94 0.03 . 2 . . . . . 109 PRO HG2 . 52769 1 908 . 1 . 1 109 109 PRO HG3 H 1 2.06 0.03 . 2 . . . . . 109 PRO HG3 . 52769 1 909 . 1 . 1 109 109 PRO HD2 H 1 3.62 0.03 . 2 . . . . . 109 PRO HD2 . 52769 1 910 . 1 . 1 109 109 PRO HD3 H 1 3.27 0.03 . 2 . . . . . 109 PRO HD3 . 52769 1 911 . 1 . 1 109 109 PRO C C 13 174.93 0.20 . 1 . . . . . 109 PRO C . 52769 1 912 . 1 . 1 109 109 PRO CA C 13 64.12 0.20 . 1 . . . . . 109 PRO CA . 52769 1 913 . 1 . 1 109 109 PRO CB C 13 31.43 0.20 . 1 . . . . . 109 PRO CB . 52769 1 914 . 1 . 1 109 109 PRO CG C 13 27.41 0.20 . 1 . . . . . 109 PRO CG . 52769 1 915 . 1 . 1 109 109 PRO CD C 13 50.18 0.20 . 1 . . . . . 109 PRO CD . 52769 1 916 . 1 . 1 110 110 HIS H H 1 8.99 0.03 . 1 . . . . . 110 HIS H . 52769 1 917 . 1 . 1 110 110 HIS CA C 13 57.41 0.20 . 1 . . . . . 110 HIS CA . 52769 1 918 . 1 . 1 110 110 HIS CB C 13 26.95 0.20 . 1 . . . . . 110 HIS CB . 52769 1 919 . 1 . 1 110 110 HIS N N 15 118.15 0.20 . 1 . . . . . 110 HIS N . 52769 1 920 . 1 . 1 111 111 GLY HA2 H 1 3.76 0.03 . 2 . . . . . 111 GLY HA2 . 52769 1 921 . 1 . 1 111 111 GLY HA3 H 1 4.22 0.03 . 2 . . . . . 111 GLY HA3 . 52769 1 922 . 1 . 1 111 111 GLY C C 13 175.37 0.20 . 1 . . . . . 111 GLY C . 52769 1 923 . 1 . 1 111 111 GLY CA C 13 45.79 0.20 . 1 . . . . . 111 GLY CA . 52769 1 924 . 1 . 1 112 112 GLY H H 1 8.38 0.03 . 1 . . . . . 112 GLY H . 52769 1 925 . 1 . 1 112 112 GLY HA2 H 1 3.99 0.03 . 2 . . . . . 112 GLY HA2 . 52769 1 926 . 1 . 1 112 112 GLY HA3 H 1 3.99 0.03 . 2 . . . . . 112 GLY HA3 . 52769 1 927 . 1 . 1 112 112 GLY C C 13 174.06 0.20 . 1 . . . . . 112 GLY C . 52769 1 928 . 1 . 1 112 112 GLY CA C 13 45.91 0.20 . 1 . . . . . 112 GLY CA . 52769 1 929 . 1 . 1 112 112 GLY N N 15 108.13 0.20 . 1 . . . . . 112 GLY N . 52769 1 930 . 1 . 1 113 113 GLY H H 1 8.07 0.03 . 1 . . . . . 113 GLY H . 52769 1 931 . 1 . 1 113 113 GLY HA2 H 1 3.77 0.03 . 2 . . . . . 113 GLY HA2 . 52769 1 932 . 1 . 1 113 113 GLY HA3 H 1 4.15 0.03 . 2 . . . . . 113 GLY HA3 . 52769 1 933 . 1 . 1 113 113 GLY C C 13 177.38 0.20 . 1 . . . . . 113 GLY C . 52769 1 934 . 1 . 1 113 113 GLY CA C 13 44.12 0.20 . 1 . . . . . 113 GLY CA . 52769 1 935 . 1 . 1 113 113 GLY N N 15 107.15 0.20 . 1 . . . . . 113 GLY N . 52769 1 936 . 1 . 1 114 114 SER H H 1 8.98 0.03 . 1 . . . . . 114 SER H . 52769 1 937 . 1 . 1 114 114 SER HA H 1 5.47 0.03 . 1 . . . . . 114 SER HA . 52769 1 938 . 1 . 1 114 114 SER HB2 H 1 3.37 0.03 . 2 . . . . . 114 SER HB2 . 52769 1 939 . 1 . 1 114 114 SER HB3 H 1 3.49 0.03 . 2 . . . . . 114 SER HB3 . 52769 1 940 . 1 . 1 114 114 SER C C 13 173.81 0.20 . 1 . . . . . 114 SER C . 52769 1 941 . 1 . 1 114 114 SER CA C 13 58.84 0.20 . 1 . . . . . 114 SER CA . 52769 1 942 . 1 . 1 114 114 SER CB C 13 68.04 0.20 . 1 . . . . . 114 SER CB . 52769 1 943 . 1 . 1 114 114 SER N N 15 118.02 0.20 . 1 . . . . . 114 SER N . 52769 1 944 . 1 . 1 115 115 ILE H H 1 9.10 0.03 . 1 . . . . . 115 ILE H . 52769 1 945 . 1 . 1 115 115 ILE HA H 1 4.53 0.03 . 1 . . . . . 115 ILE HA . 52769 1 946 . 1 . 1 115 115 ILE HB H 1 1.67 0.03 . 1 . . . . . 115 ILE HB . 52769 1 947 . 1 . 1 115 115 ILE HG12 H 1 1.09 0.03 . 2 . . . . . 115 ILE HG12 . 52769 1 948 . 1 . 1 115 115 ILE HG13 H 1 1.45 0.03 . 2 . . . . . 115 ILE HG13 . 52769 1 949 . 1 . 1 115 115 ILE HG21 H 1 0.86 0.03 . 1 . . . . . 115 ILE MG . 52769 1 950 . 1 . 1 115 115 ILE HG22 H 1 0.86 0.03 . 1 . . . . . 115 ILE MG . 52769 1 951 . 1 . 1 115 115 ILE HG23 H 1 0.86 0.03 . 1 . . . . . 115 ILE MG . 52769 1 952 . 1 . 1 115 115 ILE HD11 H 1 0.87 0.03 . 1 . . . . . 115 ILE MD . 52769 1 953 . 1 . 1 115 115 ILE HD12 H 1 0.87 0.03 . 1 . . . . . 115 ILE MD . 52769 1 954 . 1 . 1 115 115 ILE HD13 H 1 0.87 0.03 . 1 . . . . . 115 ILE MD . 52769 1 955 . 1 . 1 115 115 ILE C C 13 174.77 0.20 . 1 . . . . . 115 ILE C . 52769 1 956 . 1 . 1 115 115 ILE CA C 13 60.66 0.20 . 1 . . . . . 115 ILE CA . 52769 1 957 . 1 . 1 115 115 ILE CB C 13 40.10 0.20 . 1 . . . . . 115 ILE CB . 52769 1 958 . 1 . 1 115 115 ILE CG1 C 13 27.52 0.20 . 1 . . . . . 115 ILE CG1 . 52769 1 959 . 1 . 1 115 115 ILE CG2 C 13 17.65 0.20 . 1 . . . . . 115 ILE CG2 . 52769 1 960 . 1 . 1 115 115 ILE CD1 C 13 13.16 0.20 . 1 . . . . . 115 ILE CD1 . 52769 1 961 . 1 . 1 115 115 ILE N N 15 122.39 0.20 . 1 . . . . . 115 ILE N . 52769 1 962 . 1 . 1 116 116 LEU H H 1 9.15 0.03 . 1 . . . . . 116 LEU H . 52769 1 963 . 1 . 1 116 116 LEU HG H 1 1.27 0.03 . 1 . . . . . 116 LEU HG . 52769 1 964 . 1 . 1 116 116 LEU HD11 H 1 0.26 0.03 . 2 . . . . . 116 LEU MD1 . 52769 1 965 . 1 . 1 116 116 LEU HD12 H 1 0.26 0.03 . 2 . . . . . 116 LEU MD1 . 52769 1 966 . 1 . 1 116 116 LEU HD13 H 1 0.26 0.03 . 2 . . . . . 116 LEU MD1 . 52769 1 967 . 1 . 1 116 116 LEU HD21 H 1 0.41 0.03 . 2 . . . . . 116 LEU MD2 . 52769 1 968 . 1 . 1 116 116 LEU HD22 H 1 0.41 0.03 . 2 . . . . . 116 LEU MD2 . 52769 1 969 . 1 . 1 116 116 LEU HD23 H 1 0.41 0.03 . 2 . . . . . 116 LEU MD2 . 52769 1 970 . 1 . 1 116 116 LEU C C 13 174.70 0.20 . 1 . . . . . 116 LEU C . 52769 1 971 . 1 . 1 116 116 LEU CA C 13 54.23 0.20 . 1 . . . . . 116 LEU CA . 52769 1 972 . 1 . 1 116 116 LEU CB C 13 44.04 0.20 . 1 . . . . . 116 LEU CB . 52769 1 973 . 1 . 1 116 116 LEU CG C 13 28.51 0.20 . 1 . . . . . 116 LEU CG . 52769 1 974 . 1 . 1 116 116 LEU CD1 C 13 25.69 0.20 . 2 . . . . . 116 LEU CD1 . 52769 1 975 . 1 . 1 116 116 LEU CD2 C 13 24.65 0.20 . 2 . . . . . 116 LEU CD2 . 52769 1 976 . 1 . 1 116 116 LEU N N 15 128.37 0.20 . 1 . . . . . 116 LEU N . 52769 1 977 . 1 . 1 117 117 LYS H H 1 8.93 0.03 . 1 . . . . . 117 LYS H . 52769 1 978 . 1 . 1 117 117 LYS HA H 1 5.04 0.03 . 1 . . . . . 117 LYS HA . 52769 1 979 . 1 . 1 117 117 LYS HB2 H 1 1.76 0.03 . 2 . . . . . 117 LYS HB2 . 52769 1 980 . 1 . 1 117 117 LYS HB3 H 1 1.89 0.03 . 2 . . . . . 117 LYS HB3 . 52769 1 981 . 1 . 1 117 117 LYS HE2 H 1 2.75 0.03 . 2 . . . . . 117 LYS HE2 . 52769 1 982 . 1 . 1 117 117 LYS HE3 H 1 2.86 0.03 . 2 . . . . . 117 LYS HE3 . 52769 1 983 . 1 . 1 117 117 LYS C C 13 175.49 0.20 . 1 . . . . . 117 LYS C . 52769 1 984 . 1 . 1 117 117 LYS CA C 13 55.28 0.20 . 1 . . . . . 117 LYS CA . 52769 1 985 . 1 . 1 117 117 LYS CB C 13 34.76 0.20 . 1 . . . . . 117 LYS CB . 52769 1 986 . 1 . 1 117 117 LYS CE C 13 41.95 0.20 . 1 . . . . . 117 LYS CE . 52769 1 987 . 1 . 1 117 117 LYS N N 15 123.99 0.20 . 1 . . . . . 117 LYS N . 52769 1 988 . 1 . 1 118 118 ILE H H 1 8.90 0.03 . 1 . . . . . 118 ILE H . 52769 1 989 . 1 . 1 118 118 ILE HA H 1 5.19 0.03 . 1 . . . . . 118 ILE HA . 52769 1 990 . 1 . 1 118 118 ILE HB H 1 1.82 0.03 . 1 . . . . . 118 ILE HB . 52769 1 991 . 1 . 1 118 118 ILE HG12 H 1 1.08 0.03 . 2 . . . . . 118 ILE HG12 . 52769 1 992 . 1 . 1 118 118 ILE HG13 H 1 1.51 0.03 . 2 . . . . . 118 ILE HG13 . 52769 1 993 . 1 . 1 118 118 ILE HG21 H 1 1.00 0.03 . 1 . . . . . 118 ILE MG . 52769 1 994 . 1 . 1 118 118 ILE HG22 H 1 1.00 0.03 . 1 . . . . . 118 ILE MG . 52769 1 995 . 1 . 1 118 118 ILE HG23 H 1 1.00 0.03 . 1 . . . . . 118 ILE MG . 52769 1 996 . 1 . 1 118 118 ILE HD11 H 1 0.82 0.03 . 1 . . . . . 118 ILE MD . 52769 1 997 . 1 . 1 118 118 ILE HD12 H 1 0.82 0.03 . 1 . . . . . 118 ILE MD . 52769 1 998 . 1 . 1 118 118 ILE HD13 H 1 0.82 0.03 . 1 . . . . . 118 ILE MD . 52769 1 999 . 1 . 1 118 118 ILE C C 13 176.43 0.20 . 1 . . . . . 118 ILE C . 52769 1 1000 . 1 . 1 118 118 ILE CA C 13 60.49 0.20 . 1 . . . . . 118 ILE CA . 52769 1 1001 . 1 . 1 118 118 ILE CB C 13 41.08 0.20 . 1 . . . . . 118 ILE CB . 52769 1 1002 . 1 . 1 118 118 ILE CG1 C 13 28.23 0.20 . 1 . . . . . 118 ILE CG1 . 52769 1 1003 . 1 . 1 118 118 ILE CG2 C 13 17.73 0.20 . 1 . . . . . 118 ILE CG2 . 52769 1 1004 . 1 . 1 118 118 ILE CD1 C 13 14.13 0.20 . 1 . . . . . 118 ILE CD1 . 52769 1 1005 . 1 . 1 118 118 ILE N N 15 125.78 0.20 . 1 . . . . . 118 ILE N . 52769 1 1006 . 1 . 1 119 119 THR H H 1 9.56 0.03 . 1 . . . . . 119 THR H . 52769 1 1007 . 1 . 1 119 119 THR HA H 1 5.32 0.03 . 1 . . . . . 119 THR HA . 52769 1 1008 . 1 . 1 119 119 THR HB H 1 4.09 0.03 . 1 . . . . . 119 THR HB . 52769 1 1009 . 1 . 1 119 119 THR HG21 H 1 1.18 0.03 . 1 . . . . . 119 THR MG . 52769 1 1010 . 1 . 1 119 119 THR HG22 H 1 1.18 0.03 . 1 . . . . . 119 THR MG . 52769 1 1011 . 1 . 1 119 119 THR HG23 H 1 1.18 0.03 . 1 . . . . . 119 THR MG . 52769 1 1012 . 1 . 1 119 119 THR C C 13 174.03 0.20 . 1 . . . . . 119 THR C . 52769 1 1013 . 1 . 1 119 119 THR CA C 13 61.92 0.20 . 1 . . . . . 119 THR CA . 52769 1 1014 . 1 . 1 119 119 THR CB C 13 70.07 0.20 . 1 . . . . . 119 THR CB . 52769 1 1015 . 1 . 1 119 119 THR CG2 C 13 21.30 0.20 . 1 . . . . . 119 THR CG2 . 52769 1 1016 . 1 . 1 119 119 THR N N 15 127.90 0.20 . 1 . . . . . 119 THR N . 52769 1 1017 . 1 . 1 120 120 SER H H 1 9.35 0.03 . 1 . . . . . 120 SER H . 52769 1 1018 . 1 . 1 120 120 SER HA H 1 5.10 0.03 . 1 . . . . . 120 SER HA . 52769 1 1019 . 1 . 1 120 120 SER HB2 H 1 3.59 0.03 . 2 . . . . . 120 SER HB2 . 52769 1 1020 . 1 . 1 120 120 SER HB3 H 1 3.48 0.03 . 2 . . . . . 120 SER HB3 . 52769 1 1021 . 1 . 1 120 120 SER C C 13 172.86 0.20 . 1 . . . . . 120 SER C . 52769 1 1022 . 1 . 1 120 120 SER CA C 13 56.22 0.20 . 1 . . . . . 120 SER CA . 52769 1 1023 . 1 . 1 120 120 SER CB C 13 65.39 0.20 . 1 . . . . . 120 SER CB . 52769 1 1024 . 1 . 1 120 120 SER N N 15 123.04 0.20 . 1 . . . . . 120 SER N . 52769 1 1025 . 1 . 1 121 121 LYS H H 1 9.03 0.03 . 1 . . . . . 121 LYS H . 52769 1 1026 . 1 . 1 121 121 LYS HA H 1 5.20 0.03 . 1 . . . . . 121 LYS HA . 52769 1 1027 . 1 . 1 121 121 LYS HB2 H 1 1.28 0.03 . 2 . . . . . 121 LYS HB2 . 52769 1 1028 . 1 . 1 121 121 LYS HB3 H 1 1.63 0.03 . 2 . . . . . 121 LYS HB3 . 52769 1 1029 . 1 . 1 121 121 LYS HD3 H 1 1.49 0.03 . 2 . . . . . 121 LYS HD3 . 52769 1 1030 . 1 . 1 121 121 LYS HE2 H 1 2.76 0.03 . 2 . . . . . 121 LYS HE2 . 52769 1 1031 . 1 . 1 121 121 LYS HE3 H 1 2.86 0.03 . 2 . . . . . 121 LYS HE3 . 52769 1 1032 . 1 . 1 121 121 LYS C C 13 174.40 0.20 . 1 . . . . . 121 LYS C . 52769 1 1033 . 1 . 1 121 121 LYS CA C 13 54.87 0.20 . 1 . . . . . 121 LYS CA . 52769 1 1034 . 1 . 1 121 121 LYS CB C 13 34.86 0.20 . 1 . . . . . 121 LYS CB . 52769 1 1035 . 1 . 1 121 121 LYS CD C 13 29.47 0.20 . 1 . . . . . 121 LYS CD . 52769 1 1036 . 1 . 1 121 121 LYS CE C 13 41.95 0.20 . 1 . . . . . 121 LYS CE . 52769 1 1037 . 1 . 1 121 121 LYS N N 15 123.04 0.20 . 1 . . . . . 121 LYS N . 52769 1 1038 . 1 . 1 122 122 TYR H H 1 9.60 0.03 . 1 . . . . . 122 TYR H . 52769 1 1039 . 1 . 1 122 122 TYR C C 13 174.70 0.20 . 1 . . . . . 122 TYR C . 52769 1 1040 . 1 . 1 122 122 TYR CA C 13 57.97 0.20 . 1 . . . . . 122 TYR CA . 52769 1 1041 . 1 . 1 122 122 TYR CB C 13 40.02 0.20 . 1 . . . . . 122 TYR CB . 52769 1 1042 . 1 . 1 122 122 TYR N N 15 125.33 0.20 . 1 . . . . . 122 TYR N . 52769 1 1043 . 1 . 1 123 123 HIS H H 1 8.56 0.03 . 1 . . . . . 123 HIS H . 52769 1 1044 . 1 . 1 123 123 HIS HA H 1 5.36 0.03 . 1 . . . . . 123 HIS HA . 52769 1 1045 . 1 . 1 123 123 HIS HB2 H 1 3.28 0.03 . 2 . . . . . 123 HIS HB2 . 52769 1 1046 . 1 . 1 123 123 HIS HB3 H 1 3.20 0.03 . 2 . . . . . 123 HIS HB3 . 52769 1 1047 . 1 . 1 123 123 HIS C C 13 176.04 0.20 . 1 . . . . . 123 HIS C . 52769 1 1048 . 1 . 1 123 123 HIS CA C 13 54.83 0.20 . 1 . . . . . 123 HIS CA . 52769 1 1049 . 1 . 1 123 123 HIS CB C 13 30.65 0.20 . 1 . . . . . 123 HIS CB . 52769 1 1050 . 1 . 1 123 123 HIS N N 15 123.62 0.20 . 1 . . . . . 123 HIS N . 52769 1 1051 . 1 . 1 124 124 THR H H 1 9.37 0.03 . 1 . . . . . 124 THR H . 52769 1 1052 . 1 . 1 124 124 THR HA H 1 5.04 0.03 . 1 . . . . . 124 THR HA . 52769 1 1053 . 1 . 1 124 124 THR HB H 1 4.38 0.03 . 1 . . . . . 124 THR HB . 52769 1 1054 . 1 . 1 124 124 THR HG21 H 1 1.18 0.03 . 1 . . . . . 124 THR MG . 52769 1 1055 . 1 . 1 124 124 THR HG22 H 1 1.18 0.03 . 1 . . . . . 124 THR MG . 52769 1 1056 . 1 . 1 124 124 THR HG23 H 1 1.18 0.03 . 1 . . . . . 124 THR MG . 52769 1 1057 . 1 . 1 124 124 THR C C 13 174.96 0.20 . 1 . . . . . 124 THR C . 52769 1 1058 . 1 . 1 124 124 THR CA C 13 60.23 0.20 . 1 . . . . . 124 THR CA . 52769 1 1059 . 1 . 1 124 124 THR CB C 13 70.88 0.20 . 1 . . . . . 124 THR CB . 52769 1 1060 . 1 . 1 124 124 THR CG2 C 13 22.86 0.20 . 1 . . . . . 124 THR CG2 . 52769 1 1061 . 1 . 1 124 124 THR N N 15 116.01 0.20 . 1 . . . . . 124 THR N . 52769 1 1062 . 1 . 1 125 125 LYS H H 1 8.54 0.03 . 1 . . . . . 125 LYS H . 52769 1 1063 . 1 . 1 125 125 LYS CA C 13 56.05 0.20 . 1 . . . . . 125 LYS CA . 52769 1 1064 . 1 . 1 125 125 LYS CB C 13 33.58 0.20 . 1 . . . . . 125 LYS CB . 52769 1 1065 . 1 . 1 125 125 LYS N N 15 121.34 0.20 . 1 . . . . . 125 LYS N . 52769 1 1066 . 1 . 1 127 127 ASN HA H 1 4.90 0.03 . 1 . . . . . 127 ASN HA . 52769 1 1067 . 1 . 1 127 127 ASN HB2 H 1 2.98 0.03 . 2 . . . . . 127 ASN HB2 . 52769 1 1068 . 1 . 1 127 127 ASN HB3 H 1 2.82 0.03 . 2 . . . . . 127 ASN HB3 . 52769 1 1069 . 1 . 1 127 127 ASN C C 13 175.33 0.20 . 1 . . . . . 127 ASN C . 52769 1 1070 . 1 . 1 127 127 ASN CA C 13 52.50 0.20 . 1 . . . . . 127 ASN CA . 52769 1 1071 . 1 . 1 127 127 ASN CB C 13 38.24 0.20 . 1 . . . . . 127 ASN CB . 52769 1 1072 . 1 . 1 128 128 ALA H H 1 7.78 0.03 . 1 . . . . . 128 ALA H . 52769 1 1073 . 1 . 1 128 128 ALA HA H 1 4.36 0.03 . 1 . . . . . 128 ALA HA . 52769 1 1074 . 1 . 1 128 128 ALA HB1 H 1 1.61 0.03 . 1 . . . . . 128 ALA MB . 52769 1 1075 . 1 . 1 128 128 ALA HB2 H 1 1.61 0.03 . 1 . . . . . 128 ALA MB . 52769 1 1076 . 1 . 1 128 128 ALA HB3 H 1 1.61 0.03 . 1 . . . . . 128 ALA MB . 52769 1 1077 . 1 . 1 128 128 ALA C C 13 177.81 0.20 . 1 . . . . . 128 ALA C . 52769 1 1078 . 1 . 1 128 128 ALA CA C 13 53.02 0.20 . 1 . . . . . 128 ALA CA . 52769 1 1079 . 1 . 1 128 128 ALA CB C 13 19.88 0.20 . 1 . . . . . 128 ALA CB . 52769 1 1080 . 1 . 1 128 128 ALA N N 15 122.49 0.20 . 1 . . . . . 128 ALA N . 52769 1 1081 . 1 . 1 129 129 SER H H 1 8.49 0.03 . 1 . . . . . 129 SER H . 52769 1 1082 . 1 . 1 129 129 SER HA H 1 4.52 0.03 . 1 . . . . . 129 SER HA . 52769 1 1083 . 1 . 1 129 129 SER HB2 H 1 3.81 0.03 . 2 . . . . . 129 SER HB2 . 52769 1 1084 . 1 . 1 129 129 SER HB3 H 1 3.75 0.03 . 2 . . . . . 129 SER HB3 . 52769 1 1085 . 1 . 1 129 129 SER C C 13 173.77 0.20 . 1 . . . . . 129 SER C . 52769 1 1086 . 1 . 1 129 129 SER CA C 13 56.96 0.20 . 1 . . . . . 129 SER CA . 52769 1 1087 . 1 . 1 129 129 SER CB C 13 64.58 0.20 . 1 . . . . . 129 SER CB . 52769 1 1088 . 1 . 1 129 129 SER N N 15 116.41 0.20 . 1 . . . . . 129 SER N . 52769 1 1089 . 1 . 1 130 130 ILE H H 1 7.21 0.03 . 1 . . . . . 130 ILE H . 52769 1 1090 . 1 . 1 130 130 ILE HA H 1 4.08 0.03 . 1 . . . . . 130 ILE HA . 52769 1 1091 . 1 . 1 130 130 ILE HB H 1 1.16 0.03 . 1 . . . . . 130 ILE HB . 52769 1 1092 . 1 . 1 130 130 ILE HG12 H 1 0.81 0.03 . 2 . . . . . 130 ILE HG12 . 52769 1 1093 . 1 . 1 130 130 ILE HG13 H 1 0.72 0.03 . 2 . . . . . 130 ILE HG13 . 52769 1 1094 . 1 . 1 130 130 ILE HG21 H 1 0.40 0.03 . 1 . . . . . 130 ILE MG . 52769 1 1095 . 1 . 1 130 130 ILE HG22 H 1 0.40 0.03 . 1 . . . . . 130 ILE MG . 52769 1 1096 . 1 . 1 130 130 ILE HG23 H 1 0.40 0.03 . 1 . . . . . 130 ILE MG . 52769 1 1097 . 1 . 1 130 130 ILE HD11 H 1 0.50 0.03 . 1 . . . . . 130 ILE MD . 52769 1 1098 . 1 . 1 130 130 ILE HD12 H 1 0.50 0.03 . 1 . . . . . 130 ILE MD . 52769 1 1099 . 1 . 1 130 130 ILE HD13 H 1 0.50 0.03 . 1 . . . . . 130 ILE MD . 52769 1 1100 . 1 . 1 130 130 ILE C C 13 174.69 0.20 . 1 . . . . . 130 ILE C . 52769 1 1101 . 1 . 1 130 130 ILE CA C 13 58.69 0.20 . 1 . . . . . 130 ILE CA . 52769 1 1102 . 1 . 1 130 130 ILE CB C 13 39.41 0.20 . 1 . . . . . 130 ILE CB . 52769 1 1103 . 1 . 1 130 130 ILE CG1 C 13 27.14 0.20 . 1 . . . . . 130 ILE CG1 . 52769 1 1104 . 1 . 1 130 130 ILE CG2 C 13 18.18 0.20 . 1 . . . . . 130 ILE CG2 . 52769 1 1105 . 1 . 1 130 130 ILE CD1 C 13 13.06 0.20 . 1 . . . . . 130 ILE CD1 . 52769 1 1106 . 1 . 1 130 130 ILE N N 15 118.68 0.20 . 1 . . . . . 130 ILE N . 52769 1 1107 . 1 . 1 131 131 ASN H H 1 8.59 0.03 . 1 . . . . . 131 ASN H . 52769 1 1108 . 1 . 1 131 131 ASN HA H 1 4.72 0.03 . 1 . . . . . 131 ASN HA . 52769 1 1109 . 1 . 1 131 131 ASN HB2 H 1 2.76 0.03 . 2 . . . . . 131 ASN HB2 . 52769 1 1110 . 1 . 1 131 131 ASN HB3 H 1 2.93 0.03 . 2 . . . . . 131 ASN HB3 . 52769 1 1111 . 1 . 1 131 131 ASN C C 13 175.90 0.20 . 1 . . . . . 131 ASN C . 52769 1 1112 . 1 . 1 131 131 ASN CA C 13 52.16 0.20 . 1 . . . . . 131 ASN CA . 52769 1 1113 . 1 . 1 131 131 ASN CB C 13 38.93 0.20 . 1 . . . . . 131 ASN CB . 52769 1 1114 . 1 . 1 131 131 ASN N N 15 124.13 0.20 . 1 . . . . . 131 ASN N . 52769 1 1115 . 1 . 1 132 132 GLU H H 1 8.98 0.03 . 1 . . . . . 132 GLU H . 52769 1 1116 . 1 . 1 132 132 GLU HA H 1 3.72 0.03 . 1 . . . . . 132 GLU HA . 52769 1 1117 . 1 . 1 132 132 GLU HB2 H 1 2.00 0.03 . 2 . . . . . 132 GLU HB2 . 52769 1 1118 . 1 . 1 132 132 GLU HB3 H 1 2.00 0.03 . 2 . . . . . 132 GLU HB3 . 52769 1 1119 . 1 . 1 132 132 GLU HG2 H 1 2.29 0.03 . 2 . . . . . 132 GLU HG2 . 52769 1 1120 . 1 . 1 132 132 GLU HG3 H 1 2.19 0.03 . 2 . . . . . 132 GLU HG3 . 52769 1 1121 . 1 . 1 132 132 GLU C C 13 178.58 0.20 . 1 . . . . . 132 GLU C . 52769 1 1122 . 1 . 1 132 132 GLU CA C 13 59.77 0.20 . 1 . . . . . 132 GLU CA . 52769 1 1123 . 1 . 1 132 132 GLU CB C 13 29.50 0.20 . 1 . . . . . 132 GLU CB . 52769 1 1124 . 1 . 1 132 132 GLU CG C 13 36.66 0.20 . 1 . . . . . 132 GLU CG . 52769 1 1125 . 1 . 1 132 132 GLU N N 15 124.85 0.20 . 1 . . . . . 132 GLU N . 52769 1 1126 . 1 . 1 133 133 GLU H H 1 8.51 0.03 . 1 . . . . . 133 GLU H . 52769 1 1127 . 1 . 1 133 133 GLU HA H 1 4.00 0.03 . 1 . . . . . 133 GLU HA . 52769 1 1128 . 1 . 1 133 133 GLU HB2 H 1 2.06 0.03 . 2 . . . . . 133 GLU HB2 . 52769 1 1129 . 1 . 1 133 133 GLU HB3 H 1 2.06 0.03 . 2 . . . . . 133 GLU HB3 . 52769 1 1130 . 1 . 1 133 133 GLU HG2 H 1 2.31 0.03 . 2 . . . . . 133 GLU HG2 . 52769 1 1131 . 1 . 1 133 133 GLU HG3 H 1 2.31 0.03 . 2 . . . . . 133 GLU HG3 . 52769 1 1132 . 1 . 1 133 133 GLU C C 13 179.60 0.20 . 1 . . . . . 133 GLU C . 52769 1 1133 . 1 . 1 133 133 GLU CA C 13 59.58 0.20 . 1 . . . . . 133 GLU CA . 52769 1 1134 . 1 . 1 133 133 GLU CB C 13 28.86 0.20 . 1 . . . . . 133 GLU CB . 52769 1 1135 . 1 . 1 133 133 GLU CG C 13 36.47 0.20 . 1 . . . . . 133 GLU CG . 52769 1 1136 . 1 . 1 133 133 GLU N N 15 118.91 0.20 . 1 . . . . . 133 GLU N . 52769 1 1137 . 1 . 1 134 134 GLU H H 1 7.65 0.03 . 1 . . . . . 134 GLU H . 52769 1 1138 . 1 . 1 134 134 GLU HA H 1 4.12 0.03 . 1 . . . . . 134 GLU HA . 52769 1 1139 . 1 . 1 134 134 GLU HB2 H 1 2.00 0.03 . 2 . . . . . 134 GLU HB2 . 52769 1 1140 . 1 . 1 134 134 GLU HB3 H 1 2.11 0.03 . 2 . . . . . 134 GLU HB3 . 52769 1 1141 . 1 . 1 134 134 GLU HG3 H 1 2.47 0.03 . 2 . . . . . 134 GLU HG3 . 52769 1 1142 . 1 . 1 134 134 GLU C C 13 179.81 0.20 . 1 . . . . . 134 GLU C . 52769 1 1143 . 1 . 1 134 134 GLU CA C 13 58.88 0.20 . 1 . . . . . 134 GLU CA . 52769 1 1144 . 1 . 1 134 134 GLU CB C 13 29.50 0.20 . 1 . . . . . 134 GLU CB . 52769 1 1145 . 1 . 1 134 134 GLU CG C 13 36.41 0.20 . 1 . . . . . 134 GLU CG . 52769 1 1146 . 1 . 1 134 134 GLU N N 15 120.33 0.20 . 1 . . . . . 134 GLU N . 52769 1 1147 . 1 . 1 135 135 ILE H H 1 7.32 0.03 . 1 . . . . . 135 ILE H . 52769 1 1148 . 1 . 1 135 135 ILE HA H 1 3.58 0.03 . 1 . . . . . 135 ILE HA . 52769 1 1149 . 1 . 1 135 135 ILE HB H 1 1.67 0.03 . 1 . . . . . 135 ILE HB . 52769 1 1150 . 1 . 1 135 135 ILE HG12 H 1 0.90 0.03 . 2 . . . . . 135 ILE HG12 . 52769 1 1151 . 1 . 1 135 135 ILE HG13 H 1 0.67 0.03 . 2 . . . . . 135 ILE HG13 . 52769 1 1152 . 1 . 1 135 135 ILE HG21 H 1 0.24 0.03 . 1 . . . . . 135 ILE MG . 52769 1 1153 . 1 . 1 135 135 ILE HG22 H 1 0.24 0.03 . 1 . . . . . 135 ILE MG . 52769 1 1154 . 1 . 1 135 135 ILE HG23 H 1 0.24 0.03 . 1 . . . . . 135 ILE MG . 52769 1 1155 . 1 . 1 135 135 ILE HD11 H 1 -0.04 0.03 . 1 . . . . . 135 ILE MD . 52769 1 1156 . 1 . 1 135 135 ILE HD12 H 1 -0.04 0.03 . 1 . . . . . 135 ILE MD . 52769 1 1157 . 1 . 1 135 135 ILE HD13 H 1 -0.04 0.03 . 1 . . . . . 135 ILE MD . 52769 1 1158 . 1 . 1 135 135 ILE CA C 13 63.41 0.20 . 1 . . . . . 135 ILE CA . 52769 1 1159 . 1 . 1 135 135 ILE CB C 13 36.75 0.20 . 1 . . . . . 135 ILE CB . 52769 1 1160 . 1 . 1 135 135 ILE CG1 C 13 27.48 0.20 . 1 . . . . . 135 ILE CG1 . 52769 1 1161 . 1 . 1 135 135 ILE CG2 C 13 16.64 0.20 . 1 . . . . . 135 ILE CG2 . 52769 1 1162 . 1 . 1 135 135 ILE CD1 C 13 11.37 0.20 . 1 . . . . . 135 ILE CD1 . 52769 1 1163 . 1 . 1 135 135 ILE N N 15 121.08 0.20 . 1 . . . . . 135 ILE N . 52769 1 1164 . 1 . 1 136 136 LYS HA H 1 3.85 0.03 . 1 . . . . . 136 LYS HA . 52769 1 1165 . 1 . 1 136 136 LYS HB2 H 1 1.98 0.03 . 2 . . . . . 136 LYS HB2 . 52769 1 1166 . 1 . 1 136 136 LYS HD3 H 1 1.66 0.03 . 2 . . . . . 136 LYS HD3 . 52769 1 1167 . 1 . 1 136 136 LYS HE3 H 1 2.93 0.03 . 2 . . . . . 136 LYS HE3 . 52769 1 1168 . 1 . 1 136 136 LYS C C 13 178.70 0.20 . 1 . . . . . 136 LYS C . 52769 1 1169 . 1 . 1 136 136 LYS CA C 13 60.00 0.20 . 1 . . . . . 136 LYS CA . 52769 1 1170 . 1 . 1 136 136 LYS CB C 13 32.40 0.20 . 1 . . . . . 136 LYS CB . 52769 1 1171 . 1 . 1 136 136 LYS CD C 13 29.46 0.20 . 1 . . . . . 136 LYS CD . 52769 1 1172 . 1 . 1 136 136 LYS CE C 13 42.18 0.20 . 1 . . . . . 136 LYS CE . 52769 1 1173 . 1 . 1 137 137 ALA H H 1 7.99 0.03 . 1 . . . . . 137 ALA H . 52769 1 1174 . 1 . 1 137 137 ALA HA H 1 4.23 0.03 . 1 . . . . . 137 ALA HA . 52769 1 1175 . 1 . 1 137 137 ALA HB1 H 1 1.51 0.03 . 1 . . . . . 137 ALA MB . 52769 1 1176 . 1 . 1 137 137 ALA HB2 H 1 1.51 0.03 . 1 . . . . . 137 ALA MB . 52769 1 1177 . 1 . 1 137 137 ALA HB3 H 1 1.51 0.03 . 1 . . . . . 137 ALA MB . 52769 1 1178 . 1 . 1 137 137 ALA C C 13 181.25 0.20 . 1 . . . . . 137 ALA C . 52769 1 1179 . 1 . 1 137 137 ALA CA C 13 55.03 0.20 . 1 . . . . . 137 ALA CA . 52769 1 1180 . 1 . 1 137 137 ALA CB C 13 17.95 0.20 . 1 . . . . . 137 ALA CB . 52769 1 1181 . 1 . 1 137 137 ALA N N 15 121.24 0.20 . 1 . . . . . 137 ALA N . 52769 1 1182 . 1 . 1 138 138 GLY H H 1 8.12 0.03 . 1 . . . . . 138 GLY H . 52769 1 1183 . 1 . 1 138 138 GLY HA2 H 1 3.93 0.03 . 2 . . . . . 138 GLY HA2 . 52769 1 1184 . 1 . 1 138 138 GLY HA3 H 1 4.05 0.03 . 2 . . . . . 138 GLY HA3 . 52769 1 1185 . 1 . 1 138 138 GLY C C 13 177.11 0.20 . 1 . . . . . 138 GLY C . 52769 1 1186 . 1 . 1 138 138 GLY CA C 13 47.26 0.20 . 1 . . . . . 138 GLY CA . 52769 1 1187 . 1 . 1 138 138 GLY N N 15 106.81 0.20 . 1 . . . . . 138 GLY N . 52769 1 1188 . 1 . 1 139 139 LYS H H 1 8.18 0.03 . 1 . . . . . 139 LYS H . 52769 1 1189 . 1 . 1 139 139 LYS HA H 1 4.23 0.03 . 1 . . . . . 139 LYS HA . 52769 1 1190 . 1 . 1 139 139 LYS HB3 H 1 1.98 0.03 . 2 . . . . . 139 LYS HB3 . 52769 1 1191 . 1 . 1 139 139 LYS HD2 H 1 1.64 0.03 . 2 . . . . . 139 LYS HD2 . 52769 1 1192 . 1 . 1 139 139 LYS HD3 H 1 2.94 0.03 . 2 . . . . . 139 LYS HD3 . 52769 1 1193 . 1 . 1 139 139 LYS C C 13 179.85 0.20 . 1 . . . . . 139 LYS C . 52769 1 1194 . 1 . 1 139 139 LYS CA C 13 59.69 0.20 . 1 . . . . . 139 LYS CA . 52769 1 1195 . 1 . 1 139 139 LYS CB C 13 32.66 0.20 . 1 . . . . . 139 LYS CB . 52769 1 1196 . 1 . 1 139 139 LYS CD C 13 42.09 0.20 . 1 . . . . . 139 LYS CD . 52769 1 1197 . 1 . 1 139 139 LYS N N 15 124.64 0.20 . 1 . . . . . 139 LYS N . 52769 1 1198 . 1 . 1 140 140 GLU H H 1 8.20 0.03 . 1 . . . . . 140 GLU H . 52769 1 1199 . 1 . 1 140 140 GLU HA H 1 4.15 0.03 . 1 . . . . . 140 GLU HA . 52769 1 1200 . 1 . 1 140 140 GLU HB2 H 1 1.64 0.03 . 2 . . . . . 140 GLU HB2 . 52769 1 1201 . 1 . 1 140 140 GLU HB3 H 1 2.00 0.03 . 2 . . . . . 140 GLU HB3 . 52769 1 1202 . 1 . 1 140 140 GLU HG2 H 1 2.19 0.03 . 2 . . . . . 140 GLU HG2 . 52769 1 1203 . 1 . 1 140 140 GLU HG3 H 1 2.47 0.03 . 2 . . . . . 140 GLU HG3 . 52769 1 1204 . 1 . 1 140 140 GLU C C 13 180.09 0.20 . 1 . . . . . 140 GLU C . 52769 1 1205 . 1 . 1 140 140 GLU CA C 13 59.30 0.20 . 1 . . . . . 140 GLU CA . 52769 1 1206 . 1 . 1 140 140 GLU CB C 13 29.44 0.20 . 1 . . . . . 140 GLU CB . 52769 1 1207 . 1 . 1 140 140 GLU CG C 13 36.50 0.20 . 1 . . . . . 140 GLU CG . 52769 1 1208 . 1 . 1 140 140 GLU N N 15 120.40 0.20 . 1 . . . . . 140 GLU N . 52769 1 1209 . 1 . 1 141 141 LYS H H 1 8.19 0.03 . 1 . . . . . 141 LYS H . 52769 1 1210 . 1 . 1 141 141 LYS CA C 13 55.17 0.20 . 1 . . . . . 141 LYS CA . 52769 1 1211 . 1 . 1 141 141 LYS CB C 13 32.55 0.20 . 1 . . . . . 141 LYS CB . 52769 1 1212 . 1 . 1 141 141 LYS N N 15 121.65 0.20 . 1 . . . . . 141 LYS N . 52769 1 1213 . 1 . 1 142 142 ALA C C 13 179.35 0.20 . 1 . . . . . 142 ALA C . 52769 1 1214 . 1 . 1 142 142 ALA CA C 13 59.53 0.20 . 1 . . . . . 142 ALA CA . 52769 1 1215 . 1 . 1 142 142 ALA CB C 13 32.55 0.20 . 1 . . . . . 142 ALA CB . 52769 1 1216 . 1 . 1 143 143 ALA H H 1 7.93 0.03 . 1 . . . . . 143 ALA H . 52769 1 1217 . 1 . 1 143 143 ALA HA H 1 4.26 0.03 . 1 . . . . . 143 ALA HA . 52769 1 1218 . 1 . 1 143 143 ALA HB1 H 1 1.58 0.03 . 1 . . . . . 143 ALA MB . 52769 1 1219 . 1 . 1 143 143 ALA HB2 H 1 1.58 0.03 . 1 . . . . . 143 ALA MB . 52769 1 1220 . 1 . 1 143 143 ALA HB3 H 1 1.58 0.03 . 1 . . . . . 143 ALA MB . 52769 1 1221 . 1 . 1 143 143 ALA C C 13 180.90 0.20 . 1 . . . . . 143 ALA C . 52769 1 1222 . 1 . 1 143 143 ALA CA C 13 55.01 0.20 . 1 . . . . . 143 ALA CA . 52769 1 1223 . 1 . 1 143 143 ALA CB C 13 18.08 0.20 . 1 . . . . . 143 ALA CB . 52769 1 1224 . 1 . 1 143 143 ALA N N 15 122.18 0.20 . 1 . . . . . 143 ALA N . 52769 1 1225 . 1 . 1 144 144 GLY H H 1 8.24 0.03 . 1 . . . . . 144 GLY H . 52769 1 1226 . 1 . 1 144 144 GLY HA2 H 1 3.88 0.03 . 2 . . . . . 144 GLY HA2 . 52769 1 1227 . 1 . 1 144 144 GLY HA3 H 1 4.04 0.03 . 2 . . . . . 144 GLY HA3 . 52769 1 1228 . 1 . 1 144 144 GLY CA C 13 46.91 0.20 . 1 . . . . . 144 GLY CA . 52769 1 1229 . 1 . 1 144 144 GLY N N 15 105.87 0.20 . 1 . . . . . 144 GLY N . 52769 1 1230 . 1 . 1 145 145 LEU H H 1 7.85 0.03 . 1 . . . . . 145 LEU H . 52769 1 1231 . 1 . 1 145 145 LEU HA H 1 4.00 0.03 . 1 . . . . . 145 LEU HA . 52769 1 1232 . 1 . 1 145 145 LEU HB2 H 1 1.81 0.03 . 2 . . . . . 145 LEU HB2 . 52769 1 1233 . 1 . 1 145 145 LEU HB3 H 1 1.33 0.03 . 2 . . . . . 145 LEU HB3 . 52769 1 1234 . 1 . 1 145 145 LEU HG H 1 1.40 0.03 . 1 . . . . . 145 LEU HG . 52769 1 1235 . 1 . 1 145 145 LEU HD11 H 1 0.64 0.03 . 2 . . . . . 145 LEU MD1 . 52769 1 1236 . 1 . 1 145 145 LEU HD12 H 1 0.64 0.03 . 2 . . . . . 145 LEU MD1 . 52769 1 1237 . 1 . 1 145 145 LEU HD13 H 1 0.64 0.03 . 2 . . . . . 145 LEU MD1 . 52769 1 1238 . 1 . 1 145 145 LEU HD21 H 1 0.61 0.03 . 2 . . . . . 145 LEU MD2 . 52769 1 1239 . 1 . 1 145 145 LEU HD22 H 1 0.61 0.03 . 2 . . . . . 145 LEU MD2 . 52769 1 1240 . 1 . 1 145 145 LEU HD23 H 1 0.61 0.03 . 2 . . . . . 145 LEU MD2 . 52769 1 1241 . 1 . 1 145 145 LEU C C 13 178.27 0.20 . 1 . . . . . 145 LEU C . 52769 1 1242 . 1 . 1 145 145 LEU CA C 13 57.95 0.20 . 1 . . . . . 145 LEU CA . 52769 1 1243 . 1 . 1 145 145 LEU CB C 13 41.21 0.20 . 1 . . . . . 145 LEU CB . 52769 1 1244 . 1 . 1 145 145 LEU CG C 13 26.99 0.20 . 1 . . . . . 145 LEU CG . 52769 1 1245 . 1 . 1 145 145 LEU CD1 C 13 24.71 0.20 . 2 . . . . . 145 LEU CD1 . 52769 1 1246 . 1 . 1 145 145 LEU CD2 C 13 23.73 0.20 . 2 . . . . . 145 LEU CD2 . 52769 1 1247 . 1 . 1 145 145 LEU N N 15 124.81 0.20 . 1 . . . . . 145 LEU N . 52769 1 1248 . 1 . 1 146 146 PHE H H 1 7.88 0.03 . 1 . . . . . 146 PHE H . 52769 1 1249 . 1 . 1 146 146 PHE HA H 1 3.74 0.03 . 1 . . . . . 146 PHE HA . 52769 1 1250 . 1 . 1 146 146 PHE HB2 H 1 2.82 0.03 . 2 . . . . . 146 PHE HB2 . 52769 1 1251 . 1 . 1 146 146 PHE HB3 H 1 2.98 0.03 . 2 . . . . . 146 PHE HB3 . 52769 1 1252 . 1 . 1 146 146 PHE C C 13 177.47 0.20 . 1 . . . . . 146 PHE C . 52769 1 1253 . 1 . 1 146 146 PHE CA C 13 62.07 0.20 . 1 . . . . . 146 PHE CA . 52769 1 1254 . 1 . 1 146 146 PHE CB C 13 38.23 0.20 . 1 . . . . . 146 PHE CB . 52769 1 1255 . 1 . 1 146 146 PHE N N 15 117.93 0.20 . 1 . . . . . 146 PHE N . 52769 1 1256 . 1 . 1 147 147 LYS H H 1 8.10 0.03 . 1 . . . . . 147 LYS H . 52769 1 1257 . 1 . 1 147 147 LYS HA H 1 3.89 0.03 . 1 . . . . . 147 LYS HA . 52769 1 1258 . 1 . 1 147 147 LYS HB2 H 1 1.89 0.03 . 2 . . . . . 147 LYS HB2 . 52769 1 1259 . 1 . 1 147 147 LYS HB3 H 1 1.99 0.03 . 2 . . . . . 147 LYS HB3 . 52769 1 1260 . 1 . 1 147 147 LYS HG2 H 1 1.61 0.03 . 2 . . . . . 147 LYS HG2 . 52769 1 1261 . 1 . 1 147 147 LYS HG3 H 1 1.70 0.03 . 2 . . . . . 147 LYS HG3 . 52769 1 1262 . 1 . 1 147 147 LYS HD2 H 1 1.71 0.03 . 2 . . . . . 147 LYS HD2 . 52769 1 1263 . 1 . 1 147 147 LYS HD3 H 1 1.78 0.03 . 2 . . . . . 147 LYS HD3 . 52769 1 1264 . 1 . 1 147 147 LYS HE3 H 1 3.05 0.03 . 2 . . . . . 147 LYS HE3 . 52769 1 1265 . 1 . 1 147 147 LYS C C 13 179.30 0.20 . 1 . . . . . 147 LYS C . 52769 1 1266 . 1 . 1 147 147 LYS CA C 13 58.85 0.20 . 1 . . . . . 147 LYS CA . 52769 1 1267 . 1 . 1 147 147 LYS CB C 13 32.10 0.20 . 1 . . . . . 147 LYS CB . 52769 1 1268 . 1 . 1 147 147 LYS CG C 13 25.09 0.20 . 1 . . . . . 147 LYS CG . 52769 1 1269 . 1 . 1 147 147 LYS CD C 13 28.75 0.20 . 1 . . . . . 147 LYS CD . 52769 1 1270 . 1 . 1 147 147 LYS CE C 13 42.23 0.20 . 1 . . . . . 147 LYS CE . 52769 1 1271 . 1 . 1 147 147 LYS N N 15 117.54 0.20 . 1 . . . . . 147 LYS N . 52769 1 1272 . 1 . 1 148 148 ALA H H 1 7.84 0.03 . 1 . . . . . 148 ALA H . 52769 1 1273 . 1 . 1 148 148 ALA C C 13 181.04 0.20 . 1 . . . . . 148 ALA C . 52769 1 1274 . 1 . 1 148 148 ALA CA C 13 54.96 0.20 . 1 . . . . . 148 ALA CA . 52769 1 1275 . 1 . 1 148 148 ALA CB C 13 17.86 0.20 . 1 . . . . . 148 ALA CB . 52769 1 1276 . 1 . 1 148 148 ALA N N 15 122.72 0.20 . 1 . . . . . 148 ALA N . 52769 1 1277 . 1 . 1 149 149 VAL H H 1 8.10 0.03 . 1 . . . . . 149 VAL H . 52769 1 1278 . 1 . 1 149 149 VAL HA H 1 3.49 0.03 . 1 . . . . . 149 VAL HA . 52769 1 1279 . 1 . 1 149 149 VAL HB H 1 2.06 0.03 . 1 . . . . . 149 VAL HB . 52769 1 1280 . 1 . 1 149 149 VAL HG11 H 1 0.90 0.03 . 2 . . . . . 149 VAL MG1 . 52769 1 1281 . 1 . 1 149 149 VAL HG12 H 1 0.90 0.03 . 2 . . . . . 149 VAL MG1 . 52769 1 1282 . 1 . 1 149 149 VAL HG13 H 1 0.90 0.03 . 2 . . . . . 149 VAL MG1 . 52769 1 1283 . 1 . 1 149 149 VAL HG21 H 1 0.79 0.03 . 2 . . . . . 149 VAL MG2 . 52769 1 1284 . 1 . 1 149 149 VAL HG22 H 1 0.79 0.03 . 2 . . . . . 149 VAL MG2 . 52769 1 1285 . 1 . 1 149 149 VAL HG23 H 1 0.79 0.03 . 2 . . . . . 149 VAL MG2 . 52769 1 1286 . 1 . 1 149 149 VAL C C 13 177.07 0.20 . 1 . . . . . 149 VAL C . 52769 1 1287 . 1 . 1 149 149 VAL CA C 13 67.15 0.20 . 1 . . . . . 149 VAL CA . 52769 1 1288 . 1 . 1 149 149 VAL CB C 13 31.17 0.20 . 1 . . . . . 149 VAL CB . 52769 1 1289 . 1 . 1 149 149 VAL CG1 C 13 23.33 0.20 . 2 . . . . . 149 VAL CG1 . 52769 1 1290 . 1 . 1 149 149 VAL CG2 C 13 21.44 0.20 . 2 . . . . . 149 VAL CG2 . 52769 1 1291 . 1 . 1 149 149 VAL N N 15 120.61 0.20 . 1 . . . . . 149 VAL N . 52769 1 1292 . 1 . 1 150 150 GLU H H 1 8.58 0.03 . 1 . . . . . 150 GLU H . 52769 1 1293 . 1 . 1 150 150 GLU HA H 1 4.00 0.03 . 1 . . . . . 150 GLU HA . 52769 1 1294 . 1 . 1 150 150 GLU HB2 H 1 3.05 0.03 . 2 . . . . . 150 GLU HB2 . 52769 1 1295 . 1 . 1 150 150 GLU HB3 H 1 1.97 0.03 . 2 . . . . . 150 GLU HB3 . 52769 1 1296 . 1 . 1 150 150 GLU HG2 H 1 1.98 0.03 . 2 . . . . . 150 GLU HG2 . 52769 1 1297 . 1 . 1 150 150 GLU HG3 H 1 1.98 0.03 . 2 . . . . . 150 GLU HG3 . 52769 1 1298 . 1 . 1 150 150 GLU C C 13 177.44 0.20 . 1 . . . . . 150 GLU C . 52769 1 1299 . 1 . 1 150 150 GLU CA C 13 59.76 0.20 . 1 . . . . . 150 GLU CA . 52769 1 1300 . 1 . 1 150 150 GLU CB C 13 30.30 0.20 . 1 . . . . . 150 GLU CB . 52769 1 1301 . 1 . 1 150 150 GLU CG C 13 37.68 0.20 . 1 . . . . . 150 GLU CG . 52769 1 1302 . 1 . 1 150 150 GLU N N 15 120.70 0.20 . 1 . . . . . 150 GLU N . 52769 1 1303 . 1 . 1 151 151 ALA H H 1 8.13 0.03 . 1 . . . . . 151 ALA H . 52769 1 1304 . 1 . 1 151 151 ALA HA H 1 4.03 0.03 . 1 . . . . . 151 ALA HA . 52769 1 1305 . 1 . 1 151 151 ALA C C 13 181.01 0.20 . 1 . . . . . 151 ALA C . 52769 1 1306 . 1 . 1 151 151 ALA CA C 13 55.32 0.20 . 1 . . . . . 151 ALA CA . 52769 1 1307 . 1 . 1 151 151 ALA CB C 13 17.97 0.20 . 1 . . . . . 151 ALA CB . 52769 1 1308 . 1 . 1 151 151 ALA N N 15 118.65 0.20 . 1 . . . . . 151 ALA N . 52769 1 1309 . 1 . 1 152 152 TYR H H 1 7.77 0.03 . 1 . . . . . 152 TYR H . 52769 1 1310 . 1 . 1 152 152 TYR HA H 1 4.32 0.03 . 1 . . . . . 152 TYR HA . 52769 1 1311 . 1 . 1 152 152 TYR HB2 H 1 3.27 0.03 . 2 . . . . . 152 TYR HB2 . 52769 1 1312 . 1 . 1 152 152 TYR HB3 H 1 3.19 0.03 . 2 . . . . . 152 TYR HB3 . 52769 1 1313 . 1 . 1 152 152 TYR C C 13 178.49 0.20 . 1 . . . . . 152 TYR C . 52769 1 1314 . 1 . 1 152 152 TYR CA C 13 62.29 0.20 . 1 . . . . . 152 TYR CA . 52769 1 1315 . 1 . 1 152 152 TYR CB C 13 38.87 0.20 . 1 . . . . . 152 TYR CB . 52769 1 1316 . 1 . 1 152 152 TYR N N 15 120.18 0.20 . 1 . . . . . 152 TYR N . 52769 1 1317 . 1 . 1 153 153 LEU H H 1 8.54 0.03 . 1 . . . . . 153 LEU H . 52769 1 1318 . 1 . 1 153 153 LEU HA H 1 4.00 0.03 . 1 . . . . . 153 LEU HA . 52769 1 1319 . 1 . 1 153 153 LEU HB2 H 1 1.34 0.03 . 2 . . . . . 153 LEU HB2 . 52769 1 1320 . 1 . 1 153 153 LEU HB3 H 1 2.03 0.03 . 2 . . . . . 153 LEU HB3 . 52769 1 1321 . 1 . 1 153 153 LEU HG H 1 2.12 0.03 . 1 . . . . . 153 LEU HG . 52769 1 1322 . 1 . 1 153 153 LEU HD11 H 1 1.00 0.03 . 2 . . . . . 153 LEU MD1 . 52769 1 1323 . 1 . 1 153 153 LEU HD12 H 1 1.00 0.03 . 2 . . . . . 153 LEU MD1 . 52769 1 1324 . 1 . 1 153 153 LEU HD13 H 1 1.00 0.03 . 2 . . . . . 153 LEU MD1 . 52769 1 1325 . 1 . 1 153 153 LEU HD21 H 1 0.84 0.03 . 2 . . . . . 153 LEU MD2 . 52769 1 1326 . 1 . 1 153 153 LEU HD22 H 1 0.84 0.03 . 2 . . . . . 153 LEU MD2 . 52769 1 1327 . 1 . 1 153 153 LEU HD23 H 1 0.84 0.03 . 2 . . . . . 153 LEU MD2 . 52769 1 1328 . 1 . 1 153 153 LEU C C 13 180.43 0.20 . 1 . . . . . 153 LEU C . 52769 1 1329 . 1 . 1 153 153 LEU CA C 13 57.43 0.20 . 1 . . . . . 153 LEU CA . 52769 1 1330 . 1 . 1 153 153 LEU CB C 13 41.52 0.20 . 1 . . . . . 153 LEU CB . 52769 1 1331 . 1 . 1 153 153 LEU CG C 13 26.84 0.20 . 1 . . . . . 153 LEU CG . 52769 1 1332 . 1 . 1 153 153 LEU CD1 C 13 22.54 0.20 . 2 . . . . . 153 LEU CD1 . 52769 1 1333 . 1 . 1 153 153 LEU CD2 C 13 27.76 0.20 . 2 . . . . . 153 LEU CD2 . 52769 1 1334 . 1 . 1 153 153 LEU N N 15 120.70 0.20 . 1 . . . . . 153 LEU N . 52769 1 1335 . 1 . 1 154 154 LEU H H 1 8.39 0.03 . 1 . . . . . 154 LEU H . 52769 1 1336 . 1 . 1 154 154 LEU HA H 1 4.14 0.03 . 1 . . . . . 154 LEU HA . 52769 1 1337 . 1 . 1 154 154 LEU HB2 H 1 1.40 0.03 . 2 . . . . . 154 LEU HB2 . 52769 1 1338 . 1 . 1 154 154 LEU HB3 H 1 1.82 0.03 . 2 . . . . . 154 LEU HB3 . 52769 1 1339 . 1 . 1 154 154 LEU HG H 1 1.76 0.03 . 1 . . . . . 154 LEU HG . 52769 1 1340 . 1 . 1 154 154 LEU HD11 H 1 0.81 0.03 . 2 . . . . . 154 LEU MD1 . 52769 1 1341 . 1 . 1 154 154 LEU HD12 H 1 0.81 0.03 . 2 . . . . . 154 LEU MD1 . 52769 1 1342 . 1 . 1 154 154 LEU HD13 H 1 0.81 0.03 . 2 . . . . . 154 LEU MD1 . 52769 1 1343 . 1 . 1 154 154 LEU HD21 H 1 0.79 0.03 . 2 . . . . . 154 LEU MD2 . 52769 1 1344 . 1 . 1 154 154 LEU HD22 H 1 0.79 0.03 . 2 . . . . . 154 LEU MD2 . 52769 1 1345 . 1 . 1 154 154 LEU HD23 H 1 0.79 0.03 . 2 . . . . . 154 LEU MD2 . 52769 1 1346 . 1 . 1 154 154 LEU C C 13 178.70 0.20 . 1 . . . . . 154 LEU C . 52769 1 1347 . 1 . 1 154 154 LEU CA C 13 57.03 0.20 . 1 . . . . . 154 LEU CA . 52769 1 1348 . 1 . 1 154 154 LEU CB C 13 42.07 0.20 . 1 . . . . . 154 LEU CB . 52769 1 1349 . 1 . 1 154 154 LEU CG C 13 26.79 0.20 . 1 . . . . . 154 LEU CG . 52769 1 1350 . 1 . 1 154 154 LEU CD1 C 13 25.53 0.20 . 2 . . . . . 154 LEU CD1 . 52769 1 1351 . 1 . 1 154 154 LEU CD2 C 13 22.46 0.20 . 2 . . . . . 154 LEU CD2 . 52769 1 1352 . 1 . 1 154 154 LEU N N 15 119.74 0.20 . 1 . . . . . 154 LEU N . 52769 1 1353 . 1 . 1 155 155 ALA H H 1 7.46 0.03 . 1 . . . . . 155 ALA H . 52769 1 1354 . 1 . 1 155 155 ALA HA H 1 4.12 0.03 . 1 . . . . . 155 ALA HA . 52769 1 1355 . 1 . 1 155 155 ALA HB1 H 1 1.23 0.03 . 1 . . . . . 155 ALA MB . 52769 1 1356 . 1 . 1 155 155 ALA HB2 H 1 1.23 0.03 . 1 . . . . . 155 ALA MB . 52769 1 1357 . 1 . 1 155 155 ALA HB3 H 1 1.23 0.03 . 1 . . . . . 155 ALA MB . 52769 1 1358 . 1 . 1 155 155 ALA C C 13 176.61 0.20 . 1 . . . . . 155 ALA C . 52769 1 1359 . 1 . 1 155 155 ALA CA C 13 52.75 0.20 . 1 . . . . . 155 ALA CA . 52769 1 1360 . 1 . 1 155 155 ALA CB C 13 18.68 0.20 . 1 . . . . . 155 ALA CB . 52769 1 1361 . 1 . 1 155 155 ALA N N 15 119.49 0.20 . 1 . . . . . 155 ALA N . 52769 1 1362 . 1 . 1 156 156 HIS H H 1 7.22 0.03 . 1 . . . . . 156 HIS H . 52769 1 1363 . 1 . 1 156 156 HIS CA C 13 53.49 0.20 . 1 . . . . . 156 HIS CA . 52769 1 1364 . 1 . 1 156 156 HIS CB C 13 28.05 0.20 . 1 . . . . . 156 HIS CB . 52769 1 1365 . 1 . 1 156 156 HIS N N 15 115.69 0.20 . 1 . . . . . 156 HIS N . 52769 1 1366 . 1 . 1 157 157 PRO HA H 1 4.37 0.03 . 1 . . . . . 157 PRO HA . 52769 1 1367 . 1 . 1 157 157 PRO HB2 H 1 1.99 0.03 . 2 . . . . . 157 PRO HB2 . 52769 1 1368 . 1 . 1 157 157 PRO HB3 H 1 2.34 0.03 . 2 . . . . . 157 PRO HB3 . 52769 1 1369 . 1 . 1 157 157 PRO C C 13 176.42 0.20 . 1 . . . . . 157 PRO C . 52769 1 1370 . 1 . 1 157 157 PRO CA C 13 64.81 0.20 . 1 . . . . . 157 PRO CA . 52769 1 1371 . 1 . 1 157 157 PRO CB C 13 32.11 0.20 . 1 . . . . . 157 PRO CB . 52769 1 1372 . 1 . 1 158 158 ASP H H 1 8.62 0.03 . 1 . . . . . 158 ASP H . 52769 1 1373 . 1 . 1 158 158 ASP HA H 1 4.51 0.03 . 1 . . . . . 158 ASP HA . 52769 1 1374 . 1 . 1 158 158 ASP HB2 H 1 2.59 0.03 . 2 . . . . . 158 ASP HB2 . 52769 1 1375 . 1 . 1 158 158 ASP HB3 H 1 2.67 0.03 . 2 . . . . . 158 ASP HB3 . 52769 1 1376 . 1 . 1 158 158 ASP C C 13 177.05 0.20 . 1 . . . . . 158 ASP C . 52769 1 1377 . 1 . 1 158 158 ASP CA C 13 54.09 0.20 . 1 . . . . . 158 ASP CA . 52769 1 1378 . 1 . 1 158 158 ASP CB C 13 40.57 0.20 . 1 . . . . . 158 ASP CB . 52769 1 1379 . 1 . 1 158 158 ASP N N 15 114.04 0.20 . 1 . . . . . 158 ASP N . 52769 1 1380 . 1 . 1 159 159 ALA H H 1 7.87 0.03 . 1 . . . . . 159 ALA H . 52769 1 1381 . 1 . 1 159 159 ALA HA H 1 4.12 0.03 . 1 . . . . . 159 ALA HA . 52769 1 1382 . 1 . 1 159 159 ALA HB1 H 1 1.48 0.03 . 1 . . . . . 159 ALA MB . 52769 1 1383 . 1 . 1 159 159 ALA HB2 H 1 1.48 0.03 . 1 . . . . . 159 ALA MB . 52769 1 1384 . 1 . 1 159 159 ALA HB3 H 1 1.48 0.03 . 1 . . . . . 159 ALA MB . 52769 1 1385 . 1 . 1 159 159 ALA C C 13 178.10 0.20 . 1 . . . . . 159 ALA C . 52769 1 1386 . 1 . 1 159 159 ALA CA C 13 52.75 0.20 . 1 . . . . . 159 ALA CA . 52769 1 1387 . 1 . 1 159 159 ALA CB C 13 18.86 0.20 . 1 . . . . . 159 ALA CB . 52769 1 1388 . 1 . 1 159 159 ALA N N 15 125.15 0.20 . 1 . . . . . 159 ALA N . 52769 1 1389 . 1 . 1 160 160 TYR H H 1 8.84 0.03 . 1 . . . . . 160 TYR H . 52769 1 1390 . 1 . 1 160 160 TYR HA H 1 4.09 0.03 . 1 . . . . . 160 TYR HA . 52769 1 1391 . 1 . 1 160 160 TYR HB2 H 1 3.94 0.03 . 2 . . . . . 160 TYR HB2 . 52769 1 1392 . 1 . 1 160 160 TYR HB3 H 1 3.14 0.03 . 2 . . . . . 160 TYR HB3 . 52769 1 1393 . 1 . 1 160 160 TYR C C 13 173.91 0.20 . 1 . . . . . 160 TYR C . 52769 1 1394 . 1 . 1 160 160 TYR CA C 13 59.67 0.20 . 1 . . . . . 160 TYR CA . 52769 1 1395 . 1 . 1 160 160 TYR CB C 13 35.25 0.20 . 1 . . . . . 160 TYR CB . 52769 1 1396 . 1 . 1 160 160 TYR N N 15 119.20 0.20 . 1 . . . . . 160 TYR N . 52769 1 1397 . 1 . 1 161 161 SER H H 1 7.51 0.03 . 1 . . . . . 161 SER H . 52769 1 1398 . 1 . 1 161 161 SER CA C 13 60.00 0.20 . 1 . . . . . 161 SER CA . 52769 1 1399 . 1 . 1 161 161 SER CB C 13 65.16 0.20 . 1 . . . . . 161 SER CB . 52769 1 1400 . 1 . 1 161 161 SER N N 15 118.57 0.20 . 1 . . . . . 161 SER N . 52769 1 stop_ save_