data_34589 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34589 _Entry.Title ; Solution structure of the chloroplast outer envelope channel OEP21 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-01-07 _Entry.Accession_date 2021-01-07 _Entry.Last_release_date 2021-01-07 _Entry.Original_release_date 2021-01-07 _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 NMR' _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 F. Hagn F. . . . 34589 2 E. Haeusler E. . . . 34589 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'MEMBRANE PROTEIN' . 34589 'anion channel beta-barrel triosephosphate ATP' . 34589 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34589 spectral_peak_list 2 34589 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 459 34589 '15N chemical shifts' 151 34589 '1H chemical shifts' 370 34589 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-12-28 2021-01-07 update BMRB 'update entry citation' 34589 1 . . 2022-01-16 2021-01-07 original author 'original release' 34589 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7BGH 'BMRB Entry Tracking System' 34589 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34589 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37156968 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis of metabolite transport by the chloroplast outer envelope channel OEP21 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 30 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1545-9985 _Citation.Journal_CSD 0353 _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 761 _Citation.Page_last 769 _Citation.Year 2023 _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 Umut Gunsel U. . . . 34589 1 2 Kai Klopfer K. . . . 34589 1 3 Elisabeth Hausler E. . . . 34589 1 4 Manuel Hitzenberger M. . . . 34589 1 5 Bettina Bolter B. . . . 34589 1 6 Laura Sperl L. E. . . 34589 1 7 Martin Zacharias M. . . . 34589 1 8 Jurgen Soll J. . . . 34589 1 9 Franz Hagn F. . . . 34589 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34589 _Assembly.ID 1 _Assembly.Name 'Outer envelope pore protein 21, chloroplastic' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34589 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34589 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; METSLRYGGDSKALKIHAKE KLRIDTNTFFQVRGGLDTKT GQPSSGSALIRHFYPNFSAT LGVGVRYDKQDSVGVRYAKN DKLRYTVLAKKTFPVTNDGL VNFKIKGGCDVDQDFKEWKS RGGAEFSWNVFNFQKDQDVR LRIGYEAFEQVPYLQIRENN WTFNADYKGRWNVRYDLLEH HHHHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 189 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22098.742 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'C-terminal His-10 Tag with a two-amino-acid spacer (LE).' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Chloroplastic outer envelope pore protein of 21 kDa' common 34589 1 gOEP21 common 34589 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34589 1 2 . GLU . 34589 1 3 . THR . 34589 1 4 . SER . 34589 1 5 . LEU . 34589 1 6 . ARG . 34589 1 7 . TYR . 34589 1 8 . GLY . 34589 1 9 . GLY . 34589 1 10 . ASP . 34589 1 11 . SER . 34589 1 12 . LYS . 34589 1 13 . ALA . 34589 1 14 . LEU . 34589 1 15 . LYS . 34589 1 16 . ILE . 34589 1 17 . HIS . 34589 1 18 . ALA . 34589 1 19 . LYS . 34589 1 20 . GLU . 34589 1 21 . LYS . 34589 1 22 . LEU . 34589 1 23 . ARG . 34589 1 24 . ILE . 34589 1 25 . ASP . 34589 1 26 . THR . 34589 1 27 . ASN . 34589 1 28 . THR . 34589 1 29 . PHE . 34589 1 30 . PHE . 34589 1 31 . GLN . 34589 1 32 . VAL . 34589 1 33 . ARG . 34589 1 34 . GLY . 34589 1 35 . GLY . 34589 1 36 . LEU . 34589 1 37 . ASP . 34589 1 38 . THR . 34589 1 39 . LYS . 34589 1 40 . THR . 34589 1 41 . GLY . 34589 1 42 . GLN . 34589 1 43 . PRO . 34589 1 44 . SER . 34589 1 45 . SER . 34589 1 46 . GLY . 34589 1 47 . SER . 34589 1 48 . ALA . 34589 1 49 . LEU . 34589 1 50 . ILE . 34589 1 51 . ARG . 34589 1 52 . HIS . 34589 1 53 . PHE . 34589 1 54 . TYR . 34589 1 55 . PRO . 34589 1 56 . ASN . 34589 1 57 . PHE . 34589 1 58 . SER . 34589 1 59 . ALA . 34589 1 60 . THR . 34589 1 61 . LEU . 34589 1 62 . GLY . 34589 1 63 . VAL . 34589 1 64 . GLY . 34589 1 65 . VAL . 34589 1 66 . ARG . 34589 1 67 . TYR . 34589 1 68 . ASP . 34589 1 69 . LYS . 34589 1 70 . GLN . 34589 1 71 . ASP . 34589 1 72 . SER . 34589 1 73 . VAL . 34589 1 74 . GLY . 34589 1 75 . VAL . 34589 1 76 . ARG . 34589 1 77 . TYR . 34589 1 78 . ALA . 34589 1 79 . LYS . 34589 1 80 . ASN . 34589 1 81 . ASP . 34589 1 82 . LYS . 34589 1 83 . LEU . 34589 1 84 . ARG . 34589 1 85 . TYR . 34589 1 86 . THR . 34589 1 87 . VAL . 34589 1 88 . LEU . 34589 1 89 . ALA . 34589 1 90 . LYS . 34589 1 91 . LYS . 34589 1 92 . THR . 34589 1 93 . PHE . 34589 1 94 . PRO . 34589 1 95 . VAL . 34589 1 96 . THR . 34589 1 97 . ASN . 34589 1 98 . ASP . 34589 1 99 . GLY . 34589 1 100 . LEU . 34589 1 101 . VAL . 34589 1 102 . ASN . 34589 1 103 . PHE . 34589 1 104 . LYS . 34589 1 105 . ILE . 34589 1 106 . LYS . 34589 1 107 . GLY . 34589 1 108 . GLY . 34589 1 109 . CYS . 34589 1 110 . ASP . 34589 1 111 . VAL . 34589 1 112 . ASP . 34589 1 113 . GLN . 34589 1 114 . ASP . 34589 1 115 . PHE . 34589 1 116 . LYS . 34589 1 117 . GLU . 34589 1 118 . TRP . 34589 1 119 . LYS . 34589 1 120 . SER . 34589 1 121 . ARG . 34589 1 122 . GLY . 34589 1 123 . GLY . 34589 1 124 . ALA . 34589 1 125 . GLU . 34589 1 126 . PHE . 34589 1 127 . SER . 34589 1 128 . TRP . 34589 1 129 . ASN . 34589 1 130 . VAL . 34589 1 131 . PHE . 34589 1 132 . ASN . 34589 1 133 . PHE . 34589 1 134 . GLN . 34589 1 135 . LYS . 34589 1 136 . ASP . 34589 1 137 . GLN . 34589 1 138 . ASP . 34589 1 139 . VAL . 34589 1 140 . ARG . 34589 1 141 . LEU . 34589 1 142 . ARG . 34589 1 143 . ILE . 34589 1 144 . GLY . 34589 1 145 . TYR . 34589 1 146 . GLU . 34589 1 147 . ALA . 34589 1 148 . PHE . 34589 1 149 . GLU . 34589 1 150 . GLN . 34589 1 151 . VAL . 34589 1 152 . PRO . 34589 1 153 . TYR . 34589 1 154 . LEU . 34589 1 155 . GLN . 34589 1 156 . ILE . 34589 1 157 . ARG . 34589 1 158 . GLU . 34589 1 159 . ASN . 34589 1 160 . ASN . 34589 1 161 . TRP . 34589 1 162 . THR . 34589 1 163 . PHE . 34589 1 164 . ASN . 34589 1 165 . ALA . 34589 1 166 . ASP . 34589 1 167 . TYR . 34589 1 168 . LYS . 34589 1 169 . GLY . 34589 1 170 . ARG . 34589 1 171 . TRP . 34589 1 172 . ASN . 34589 1 173 . VAL . 34589 1 174 . ARG . 34589 1 175 . TYR . 34589 1 176 . ASP . 34589 1 177 . LEU . 34589 1 178 . LEU . 34589 1 179 . GLU . 34589 1 180 . HIS . 34589 1 181 . HIS . 34589 1 182 . HIS . 34589 1 183 . HIS . 34589 1 184 . HIS . 34589 1 185 . HIS . 34589 1 186 . HIS . 34589 1 187 . HIS . 34589 1 188 . HIS . 34589 1 189 . HIS . 34589 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 34589 1 . GLU 2 2 34589 1 . THR 3 3 34589 1 . SER 4 4 34589 1 . LEU 5 5 34589 1 . ARG 6 6 34589 1 . TYR 7 7 34589 1 . GLY 8 8 34589 1 . GLY 9 9 34589 1 . ASP 10 10 34589 1 . SER 11 11 34589 1 . LYS 12 12 34589 1 . ALA 13 13 34589 1 . LEU 14 14 34589 1 . LYS 15 15 34589 1 . ILE 16 16 34589 1 . HIS 17 17 34589 1 . ALA 18 18 34589 1 . LYS 19 19 34589 1 . GLU 20 20 34589 1 . LYS 21 21 34589 1 . LEU 22 22 34589 1 . ARG 23 23 34589 1 . ILE 24 24 34589 1 . ASP 25 25 34589 1 . THR 26 26 34589 1 . ASN 27 27 34589 1 . THR 28 28 34589 1 . PHE 29 29 34589 1 . PHE 30 30 34589 1 . GLN 31 31 34589 1 . VAL 32 32 34589 1 . ARG 33 33 34589 1 . GLY 34 34 34589 1 . GLY 35 35 34589 1 . LEU 36 36 34589 1 . ASP 37 37 34589 1 . THR 38 38 34589 1 . LYS 39 39 34589 1 . THR 40 40 34589 1 . GLY 41 41 34589 1 . GLN 42 42 34589 1 . PRO 43 43 34589 1 . SER 44 44 34589 1 . SER 45 45 34589 1 . GLY 46 46 34589 1 . SER 47 47 34589 1 . ALA 48 48 34589 1 . LEU 49 49 34589 1 . ILE 50 50 34589 1 . ARG 51 51 34589 1 . HIS 52 52 34589 1 . PHE 53 53 34589 1 . TYR 54 54 34589 1 . PRO 55 55 34589 1 . ASN 56 56 34589 1 . PHE 57 57 34589 1 . SER 58 58 34589 1 . ALA 59 59 34589 1 . THR 60 60 34589 1 . LEU 61 61 34589 1 . GLY 62 62 34589 1 . VAL 63 63 34589 1 . GLY 64 64 34589 1 . VAL 65 65 34589 1 . ARG 66 66 34589 1 . TYR 67 67 34589 1 . ASP 68 68 34589 1 . LYS 69 69 34589 1 . GLN 70 70 34589 1 . ASP 71 71 34589 1 . SER 72 72 34589 1 . VAL 73 73 34589 1 . GLY 74 74 34589 1 . VAL 75 75 34589 1 . ARG 76 76 34589 1 . TYR 77 77 34589 1 . ALA 78 78 34589 1 . LYS 79 79 34589 1 . ASN 80 80 34589 1 . ASP 81 81 34589 1 . LYS 82 82 34589 1 . LEU 83 83 34589 1 . ARG 84 84 34589 1 . TYR 85 85 34589 1 . THR 86 86 34589 1 . VAL 87 87 34589 1 . LEU 88 88 34589 1 . ALA 89 89 34589 1 . LYS 90 90 34589 1 . LYS 91 91 34589 1 . THR 92 92 34589 1 . PHE 93 93 34589 1 . PRO 94 94 34589 1 . VAL 95 95 34589 1 . THR 96 96 34589 1 . ASN 97 97 34589 1 . ASP 98 98 34589 1 . GLY 99 99 34589 1 . LEU 100 100 34589 1 . VAL 101 101 34589 1 . ASN 102 102 34589 1 . PHE 103 103 34589 1 . LYS 104 104 34589 1 . ILE 105 105 34589 1 . LYS 106 106 34589 1 . GLY 107 107 34589 1 . GLY 108 108 34589 1 . CYS 109 109 34589 1 . ASP 110 110 34589 1 . VAL 111 111 34589 1 . ASP 112 112 34589 1 . GLN 113 113 34589 1 . ASP 114 114 34589 1 . PHE 115 115 34589 1 . LYS 116 116 34589 1 . GLU 117 117 34589 1 . TRP 118 118 34589 1 . LYS 119 119 34589 1 . SER 120 120 34589 1 . ARG 121 121 34589 1 . GLY 122 122 34589 1 . GLY 123 123 34589 1 . ALA 124 124 34589 1 . GLU 125 125 34589 1 . PHE 126 126 34589 1 . SER 127 127 34589 1 . TRP 128 128 34589 1 . ASN 129 129 34589 1 . VAL 130 130 34589 1 . PHE 131 131 34589 1 . ASN 132 132 34589 1 . PHE 133 133 34589 1 . GLN 134 134 34589 1 . LYS 135 135 34589 1 . ASP 136 136 34589 1 . GLN 137 137 34589 1 . ASP 138 138 34589 1 . VAL 139 139 34589 1 . ARG 140 140 34589 1 . LEU 141 141 34589 1 . ARG 142 142 34589 1 . ILE 143 143 34589 1 . GLY 144 144 34589 1 . TYR 145 145 34589 1 . GLU 146 146 34589 1 . ALA 147 147 34589 1 . PHE 148 148 34589 1 . GLU 149 149 34589 1 . GLN 150 150 34589 1 . VAL 151 151 34589 1 . PRO 152 152 34589 1 . TYR 153 153 34589 1 . LEU 154 154 34589 1 . GLN 155 155 34589 1 . ILE 156 156 34589 1 . ARG 157 157 34589 1 . GLU 158 158 34589 1 . ASN 159 159 34589 1 . ASN 160 160 34589 1 . TRP 161 161 34589 1 . THR 162 162 34589 1 . PHE 163 163 34589 1 . ASN 164 164 34589 1 . ALA 165 165 34589 1 . ASP 166 166 34589 1 . TYR 167 167 34589 1 . LYS 168 168 34589 1 . GLY 169 169 34589 1 . ARG 170 170 34589 1 . TRP 171 171 34589 1 . ASN 172 172 34589 1 . VAL 173 173 34589 1 . ARG 174 174 34589 1 . TYR 175 175 34589 1 . ASP 176 176 34589 1 . LEU 177 177 34589 1 . LEU 178 178 34589 1 . GLU 179 179 34589 1 . HIS 180 180 34589 1 . HIS 181 181 34589 1 . HIS 182 182 34589 1 . HIS 183 183 34589 1 . HIS 184 184 34589 1 . HIS 185 185 34589 1 . HIS 186 186 34589 1 . HIS 187 187 34589 1 . HIS 188 188 34589 1 . HIS 189 189 34589 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34589 _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 . 3888 organism . 'Pisum sativum' 'Garden pea' . . Eukaryota Viridiplantae Pisum sativum . . . . . . . . . . . OEP21 . 34589 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34589 _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' . . 562 Escherichia coli . . . . . . . . . . 34589 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34589 _Sample.ID 1 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.4 mM [U-13C; U-15N; U-2H] OEP21, 300 mM [U-100% 2H] LDAO, 20 mM sodium phosphate, 50 mM sodium chloride, 5 mM DTT, 0.5 mM EDTA, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OEP21 '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.4 . . mM 0.05 . . . 34589 1 2 LDAO '[U-100% 2H]' . . . . . . 300 . . mM 50 . . . 34589 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 2 . . . 34589 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 5 . . . 34589 1 5 DTT 'natural abundance' . . . . . . 5 . . mM 0.5 . . . 34589 1 6 EDTA 'natural abundance' . . . . . . 0.5 . . mM 0.05 . . . 34589 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34589 _Sample.ID 2 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.4 mM [ U-15N; U-2H],ILVAFY OEP21, 300 mM [U-100% 2H] LDAO, 20 mM sodium phosphate, 50 mM sodium chloride, 5 mM DTT, 0.5 mM EDTA, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OEP21 '[ U-15N; U-2H],ILVAFY' . . 1 $entity_1 . . 0.4 . . mM 0.05 . . . 34589 2 2 LDAO '[U-100% 2H]' . . . . . . 300 . . mM 50 . . . 34589 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 2 . . . 34589 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 5 . . . 34589 2 5 DTT 'natural abundance' . . . . . . 5 . . mM 0.5 . . . 34589 2 6 EDTA 'natural abundance' . . . . . . 0.5 . . mM 0.05 . . . 34589 2 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 34589 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 34589 1 pH 7.0 0.1 pH 34589 1 pressure 1 . atm 34589 1 temperature 308 . K 34589 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34589 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34589 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34589 1 processing . 34589 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34589 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34589 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34589 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34589 _Software.ID 3 _Software.Type . _Software.Name hmsIST _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wagner Lab, Harvard Medical School' . . 34589 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34589 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34589 _Software.ID 4 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Univ of Wisconsin' . . 34589 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34589 4 'peak picking' . 34589 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34589 _Software.ID 5 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34589 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34589 5 'structure calculation' . 34589 5 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 34589 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34589 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34589 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III HD' . 900 . . . 34589 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 800 . . . 34589 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34589 _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 TROSY HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34589 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34589 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34589 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34589 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34589 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34589 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34589 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34589 1 9 '3D 13C-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34589 1 10 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34589 1 11 '2D 1H-13C HMQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34589 1 12 '3D 13C-15N NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34589 1 13 '2D 1H-15N TROSY HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34589 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 34589 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.000 internal indirect 0.251449530 . . . . . 34589 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34589 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34589 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 34589 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 TROSY HSQC' . . . 34589 1 2 '3D HNCA' . . . 34589 1 3 '3D HNCACB' . . . 34589 1 4 '3D HNCO' . . . 34589 1 5 '3D HN(CO)CA' . . . 34589 1 6 '3D 1H-15N NOESY' . . . 34589 1 7 '3D 1H-15N NOESY' . . . 34589 1 8 '3D 1H-13C NOESY aliphatic' . . . 34589 1 9 '3D 13C-13C NOESY aliphatic' . . . 34589 1 10 '3D HNCACO' . . . 34589 1 11 '2D 1H-13C HMQC' . . . 34589 1 12 '3D 13C-15N NOESY aliphatic' . . . 34589 1 13 '2D 1H-15N TROSY HSQC' . . . 34589 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 1 1 MET C C 13 172.10 0.05 . 1 . . . . A 1 MET C . 34589 1 2 . 1 . 1 2 2 GLU H H 1 8.79 0.02 . 1 . . . . A 2 GLU H . 34589 1 3 . 1 . 1 2 2 GLU CA C 13 54.83 0.05 . 1 . . . . A 2 GLU CA . 34589 1 4 . 1 . 1 2 2 GLU CB C 13 31.70 0.05 . 1 . . . . A 2 GLU CB . 34589 1 5 . 1 . 1 2 2 GLU N N 15 125.38 0.05 . 1 . . . . A 2 GLU N . 34589 1 6 . 1 . 1 3 3 THR H H 1 7.70 0.02 . 1 . . . . A 3 THR H . 34589 1 7 . 1 . 1 3 3 THR C C 13 173.20 0.05 . 1 . . . . A 3 THR C . 34589 1 8 . 1 . 1 3 3 THR N N 15 105.31 0.05 . 1 . . . . A 3 THR N . 34589 1 9 . 1 . 1 4 4 SER H H 1 9.29 0.02 . 1 . . . . A 4 SER H . 34589 1 10 . 1 . 1 4 4 SER CA C 13 56.17 0.05 . 1 . . . . A 4 SER CA . 34589 1 11 . 1 . 1 4 4 SER CB C 13 65.77 0.05 . 1 . . . . A 4 SER CB . 34589 1 12 . 1 . 1 4 4 SER N N 15 117.84 0.05 . 1 . . . . A 4 SER N . 34589 1 13 . 1 . 1 5 5 LEU HD21 H 1 0.91 0.02 . 1 . . . . A 5 LEU HD21 . 34589 1 14 . 1 . 1 5 5 LEU HD22 H 1 0.91 0.02 . 1 . . . . A 5 LEU HD22 . 34589 1 15 . 1 . 1 5 5 LEU HD23 H 1 0.91 0.02 . 1 . . . . A 5 LEU HD23 . 34589 1 16 . 1 . 1 5 5 LEU C C 13 176.10 0.05 . 1 . . . . A 5 LEU C . 34589 1 17 . 1 . 1 5 5 LEU CA C 13 53.05 0.05 . 1 . . . . A 5 LEU CA . 34589 1 18 . 1 . 1 5 5 LEU CB C 13 43.76 0.05 . 1 . . . . A 5 LEU CB . 34589 1 19 . 1 . 1 5 5 LEU CD2 C 13 23.66 0.05 . 1 . . . . A 5 LEU CD2 . 34589 1 20 . 1 . 1 6 6 ARG H H 1 9.05 0.02 . 1 . . . . A 6 ARG H . 34589 1 21 . 1 . 1 6 6 ARG C C 13 174.30 0.05 . 1 . . . . A 6 ARG C . 34589 1 22 . 1 . 1 6 6 ARG CA C 13 54.69 0.05 . 1 . . . . A 6 ARG CA . 34589 1 23 . 1 . 1 6 6 ARG CB C 13 33.44 0.05 . 1 . . . . A 6 ARG CB . 34589 1 24 . 1 . 1 6 6 ARG N N 15 119.96 0.05 . 1 . . . . A 6 ARG N . 34589 1 25 . 1 . 1 7 7 TYR H H 1 9.06 0.02 . 1 . . . . A 7 TYR H . 34589 1 26 . 1 . 1 7 7 TYR HB2 H 1 2.88 0.02 . 2 . . . . A 7 TYR HB2 . 34589 1 27 . 1 . 1 7 7 TYR HB3 H 1 2.88 0.02 . 2 . . . . A 7 TYR HB3 . 34589 1 28 . 1 . 1 7 7 TYR HD1 H 1 6.85 0.02 . 3 . . . . A 7 TYR HD1 . 34589 1 29 . 1 . 1 7 7 TYR HD2 H 1 6.85 0.02 . 3 . . . . A 7 TYR HD2 . 34589 1 30 . 1 . 1 7 7 TYR HE1 H 1 6.71 0.02 . 3 . . . . A 7 TYR HE1 . 34589 1 31 . 1 . 1 7 7 TYR HE2 H 1 6.71 0.02 . 3 . . . . A 7 TYR HE2 . 34589 1 32 . 1 . 1 7 7 TYR C C 13 173.30 0.05 . 1 . . . . A 7 TYR C . 34589 1 33 . 1 . 1 7 7 TYR CA C 13 56.82 0.05 . 1 . . . . A 7 TYR CA . 34589 1 34 . 1 . 1 7 7 TYR CB C 13 42.39 0.05 . 1 . . . . A 7 TYR CB . 34589 1 35 . 1 . 1 7 7 TYR N N 15 124.98 0.05 . 1 . . . . A 7 TYR N . 34589 1 36 . 1 . 1 8 8 GLY H H 1 7.60 0.02 . 1 . . . . A 8 GLY H . 34589 1 37 . 1 . 1 8 8 GLY CA C 13 44.10 0.05 . 1 . . . . A 8 GLY CA . 34589 1 38 . 1 . 1 8 8 GLY N N 15 113.95 0.05 . 1 . . . . A 8 GLY N . 34589 1 39 . 1 . 1 9 9 GLY H H 1 6.68 0.02 . 1 . . . . A 9 GLY H . 34589 1 40 . 1 . 1 9 9 GLY N N 15 107.14 0.05 . 1 . . . . A 9 GLY N . 34589 1 41 . 1 . 1 13 13 ALA H H 1 8.24 0.02 . 1 . . . . A 13 ALA H . 34589 1 42 . 1 . 1 13 13 ALA HB1 H 1 1.10 0.02 . 1 . . . . A 13 ALA HB1 . 34589 1 43 . 1 . 1 13 13 ALA HB2 H 1 1.10 0.02 . 1 . . . . A 13 ALA HB2 . 34589 1 44 . 1 . 1 13 13 ALA HB3 H 1 1.10 0.02 . 1 . . . . A 13 ALA HB3 . 34589 1 45 . 1 . 1 13 13 ALA CB C 13 19.35 0.05 . 1 . . . . A 13 ALA CB . 34589 1 46 . 1 . 1 13 13 ALA N N 15 120.97 0.05 . 1 . . . . A 13 ALA N . 34589 1 47 . 1 . 1 14 14 LEU H H 1 9.03 0.02 . 1 . . . . A 14 LEU H . 34589 1 48 . 1 . 1 14 14 LEU HD21 H 1 0.93 0.02 . 1 . . . . A 14 LEU HD21 . 34589 1 49 . 1 . 1 14 14 LEU HD22 H 1 0.93 0.02 . 1 . . . . A 14 LEU HD22 . 34589 1 50 . 1 . 1 14 14 LEU HD23 H 1 0.93 0.02 . 1 . . . . A 14 LEU HD23 . 34589 1 51 . 1 . 1 14 14 LEU C C 13 176.50 0.05 . 1 . . . . A 14 LEU C . 34589 1 52 . 1 . 1 14 14 LEU CA C 13 54.80 0.05 . 1 . . . . A 14 LEU CA . 34589 1 53 . 1 . 1 14 14 LEU CD2 C 13 25.04 0.05 . 1 . . . . A 14 LEU CD2 . 34589 1 54 . 1 . 1 15 15 LYS H H 1 9.26 0.02 . 1 . . . . A 15 LYS H . 34589 1 55 . 1 . 1 15 15 LYS C C 13 175.40 0.05 . 1 . . . . A 15 LYS C . 34589 1 56 . 1 . 1 15 15 LYS CA C 13 54.36 0.05 . 1 . . . . A 15 LYS CA . 34589 1 57 . 1 . 1 15 15 LYS CB C 13 34.88 0.05 . 1 . . . . A 15 LYS CB . 34589 1 58 . 1 . 1 15 15 LYS N N 15 127.77 0.05 . 1 . . . . A 15 LYS N . 34589 1 59 . 1 . 1 16 16 ILE H H 1 8.61 0.02 . 1 . . . . A 16 ILE H . 34589 1 60 . 1 . 1 16 16 ILE HD11 H 1 0.74 0.02 . 1 . . . . A 16 ILE HD11 . 34589 1 61 . 1 . 1 16 16 ILE HD12 H 1 0.74 0.02 . 1 . . . . A 16 ILE HD12 . 34589 1 62 . 1 . 1 16 16 ILE HD13 H 1 0.74 0.02 . 1 . . . . A 16 ILE HD13 . 34589 1 63 . 1 . 1 16 16 ILE C C 13 173.80 0.05 . 1 . . . . A 16 ILE C . 34589 1 64 . 1 . 1 16 16 ILE CA C 13 58.90 0.05 . 1 . . . . A 16 ILE CA . 34589 1 65 . 1 . 1 16 16 ILE CB C 13 39.80 0.05 . 1 . . . . A 16 ILE CB . 34589 1 66 . 1 . 1 16 16 ILE CD1 C 13 12.99 0.05 . 1 . . . . A 16 ILE CD1 . 34589 1 67 . 1 . 1 16 16 ILE N N 15 120.92 0.05 . 1 . . . . A 16 ILE N . 34589 1 68 . 1 . 1 17 17 HIS H H 1 9.43 0.02 . 1 . . . . A 17 HIS H . 34589 1 69 . 1 . 1 17 17 HIS C C 13 174.00 0.05 . 1 . . . . A 17 HIS C . 34589 1 70 . 1 . 1 17 17 HIS CA C 13 54.15 0.05 . 1 . . . . A 17 HIS CA . 34589 1 71 . 1 . 1 17 17 HIS CB C 13 32.90 0.05 . 1 . . . . A 17 HIS CB . 34589 1 72 . 1 . 1 17 17 HIS N N 15 127.16 0.05 . 1 . . . . A 17 HIS N . 34589 1 73 . 1 . 1 18 18 ALA H H 1 8.88 0.02 . 1 . . . . A 18 ALA H . 34589 1 74 . 1 . 1 18 18 ALA HB1 H 1 1.26 0.02 . 1 . . . . A 18 ALA HB1 . 34589 1 75 . 1 . 1 18 18 ALA HB2 H 1 1.26 0.02 . 1 . . . . A 18 ALA HB2 . 34589 1 76 . 1 . 1 18 18 ALA HB3 H 1 1.26 0.02 . 1 . . . . A 18 ALA HB3 . 34589 1 77 . 1 . 1 18 18 ALA C C 13 175.50 0.05 . 1 . . . . A 18 ALA C . 34589 1 78 . 1 . 1 18 18 ALA CA C 13 50.05 0.05 . 1 . . . . A 18 ALA CA . 34589 1 79 . 1 . 1 18 18 ALA CB C 13 22.34 0.05 . 1 . . . . A 18 ALA CB . 34589 1 80 . 1 . 1 18 18 ALA N N 15 122.94 0.05 . 1 . . . . A 18 ALA N . 34589 1 81 . 1 . 1 19 19 LYS H H 1 8.40 0.02 . 1 . . . . A 19 LYS H . 34589 1 82 . 1 . 1 19 19 LYS C C 13 174.30 0.05 . 1 . . . . A 19 LYS C . 34589 1 83 . 1 . 1 19 19 LYS CA C 13 54.20 0.05 . 1 . . . . A 19 LYS CA . 34589 1 84 . 1 . 1 19 19 LYS CB C 13 36.14 0.05 . 1 . . . . A 19 LYS CB . 34589 1 85 . 1 . 1 19 19 LYS N N 15 119.11 0.05 . 1 . . . . A 19 LYS N . 34589 1 86 . 1 . 1 20 20 GLU H H 1 8.91 0.02 . 1 . . . . A 20 GLU H . 34589 1 87 . 1 . 1 20 20 GLU C C 13 173.00 0.05 . 1 . . . . A 20 GLU C . 34589 1 88 . 1 . 1 20 20 GLU CA C 13 53.92 0.05 . 1 . . . . A 20 GLU CA . 34589 1 89 . 1 . 1 20 20 GLU CB C 13 33.27 0.05 . 1 . . . . A 20 GLU CB . 34589 1 90 . 1 . 1 20 20 GLU N N 15 123.67 0.05 . 1 . . . . A 20 GLU N . 34589 1 91 . 1 . 1 21 21 LYS H H 1 9.51 0.02 . 1 . . . . A 21 LYS H . 34589 1 92 . 1 . 1 21 21 LYS C C 13 174.20 0.05 . 1 . . . . A 21 LYS C . 34589 1 93 . 1 . 1 21 21 LYS CA C 13 54.27 0.05 . 1 . . . . A 21 LYS CA . 34589 1 94 . 1 . 1 21 21 LYS CB C 13 35.39 0.05 . 1 . . . . A 21 LYS CB . 34589 1 95 . 1 . 1 21 21 LYS N N 15 125.28 0.05 . 1 . . . . A 21 LYS N . 34589 1 96 . 1 . 1 22 22 LEU H H 1 9.33 0.02 . 1 . . . . A 22 LEU H . 34589 1 97 . 1 . 1 22 22 LEU HD21 H 1 0.96 0.02 . 1 . . . . A 22 LEU HD21 . 34589 1 98 . 1 . 1 22 22 LEU HD22 H 1 0.96 0.02 . 1 . . . . A 22 LEU HD22 . 34589 1 99 . 1 . 1 22 22 LEU HD23 H 1 0.96 0.02 . 1 . . . . A 22 LEU HD23 . 34589 1 100 . 1 . 1 22 22 LEU C C 13 175.60 0.05 . 1 . . . . A 22 LEU C . 34589 1 101 . 1 . 1 22 22 LEU CA C 13 53.26 0.05 . 1 . . . . A 22 LEU CA . 34589 1 102 . 1 . 1 22 22 LEU CB C 13 44.68 0.05 . 1 . . . . A 22 LEU CB . 34589 1 103 . 1 . 1 22 22 LEU CD2 C 13 24.90 0.05 . 1 . . . . A 22 LEU CD2 . 34589 1 104 . 1 . 1 22 22 LEU N N 15 122.87 0.05 . 1 . . . . A 22 LEU N . 34589 1 105 . 1 . 1 23 23 ARG H H 1 9.17 0.02 . 1 . . . . A 23 ARG H . 34589 1 106 . 1 . 1 23 23 ARG C C 13 175.40 0.05 . 1 . . . . A 23 ARG C . 34589 1 107 . 1 . 1 23 23 ARG CA C 13 57.17 0.05 . 1 . . . . A 23 ARG CA . 34589 1 108 . 1 . 1 23 23 ARG CB C 13 29.68 0.05 . 1 . . . . A 23 ARG CB . 34589 1 109 . 1 . 1 23 23 ARG N N 15 128.35 0.05 . 1 . . . . A 23 ARG N . 34589 1 110 . 1 . 1 24 24 ILE H H 1 8.41 0.02 . 1 . . . . A 24 ILE H . 34589 1 111 . 1 . 1 24 24 ILE HD11 H 1 0.77 0.02 . 1 . . . . A 24 ILE HD11 . 34589 1 112 . 1 . 1 24 24 ILE HD12 H 1 0.77 0.02 . 1 . . . . A 24 ILE HD12 . 34589 1 113 . 1 . 1 24 24 ILE HD13 H 1 0.77 0.02 . 1 . . . . A 24 ILE HD13 . 34589 1 114 . 1 . 1 24 24 ILE C C 13 174.50 0.05 . 1 . . . . A 24 ILE C . 34589 1 115 . 1 . 1 24 24 ILE CA C 13 61.96 0.05 . 1 . . . . A 24 ILE CA . 34589 1 116 . 1 . 1 24 24 ILE CB C 13 38.33 0.05 . 1 . . . . A 24 ILE CB . 34589 1 117 . 1 . 1 24 24 ILE CD1 C 13 12.73 0.05 . 1 . . . . A 24 ILE CD1 . 34589 1 118 . 1 . 1 24 24 ILE N N 15 125.00 0.05 . 1 . . . . A 24 ILE N . 34589 1 119 . 1 . 1 25 25 ASP H H 1 8.23 0.02 . 1 . . . . A 25 ASP H . 34589 1 120 . 1 . 1 25 25 ASP CA C 13 52.61 0.05 . 1 . . . . A 25 ASP CA . 34589 1 121 . 1 . 1 25 25 ASP CB C 13 41.92 0.05 . 1 . . . . A 25 ASP CB . 34589 1 122 . 1 . 1 25 25 ASP N N 15 117.15 0.05 . 1 . . . . A 25 ASP N . 34589 1 123 . 1 . 1 27 27 ASN C C 13 174.50 0.05 . 1 . . . . A 27 ASN C . 34589 1 124 . 1 . 1 28 28 THR H H 1 7.50 0.02 . 1 . . . . A 28 THR H . 34589 1 125 . 1 . 1 28 28 THR C C 13 173.20 0.05 . 1 . . . . A 28 THR C . 34589 1 126 . 1 . 1 28 28 THR CA C 13 61.17 0.05 . 1 . . . . A 28 THR CA . 34589 1 127 . 1 . 1 28 28 THR N N 15 116.61 0.05 . 1 . . . . A 28 THR N . 34589 1 128 . 1 . 1 29 29 PHE H H 1 9.38 0.02 . 1 . . . . A 29 PHE H . 34589 1 129 . 1 . 1 29 29 PHE HB2 H 1 2.90 0.02 . 1 . . . . A 29 PHE HB2 . 34589 1 130 . 1 . 1 29 29 PHE HB3 H 1 2.90 0.02 . 1 . . . . A 29 PHE HB3 . 34589 1 131 . 1 . 1 29 29 PHE HD1 H 1 7.03 0.02 . 3 . . . . A 29 PHE HD1 . 34589 1 132 . 1 . 1 29 29 PHE HD2 H 1 7.03 0.02 . 3 . . . . A 29 PHE HD2 . 34589 1 133 . 1 . 1 29 29 PHE HE1 H 1 7.26 0.02 . 3 . . . . A 29 PHE HE1 . 34589 1 134 . 1 . 1 29 29 PHE HE2 H 1 7.26 0.02 . 3 . . . . A 29 PHE HE2 . 34589 1 135 . 1 . 1 29 29 PHE HZ H 1 6.93 0.02 . 1 . . . . A 29 PHE HZ . 34589 1 136 . 1 . 1 29 29 PHE C C 13 173.20 0.05 . 1 . . . . A 29 PHE C . 34589 1 137 . 1 . 1 29 29 PHE CA C 13 56.05 0.05 . 1 . . . . A 29 PHE CA . 34589 1 138 . 1 . 1 29 29 PHE CB C 13 42.50 0.05 . 1 . . . . A 29 PHE CB . 34589 1 139 . 1 . 1 29 29 PHE N N 15 124.54 0.05 . 1 . . . . A 29 PHE N . 34589 1 140 . 1 . 1 30 30 PHE H H 1 9.52 0.02 . 1 . . . . A 30 PHE H . 34589 1 141 . 1 . 1 30 30 PHE HB2 H 1 2.98 0.02 . 1 . . . . A 30 PHE HB2 . 34589 1 142 . 1 . 1 30 30 PHE HB3 H 1 2.98 0.02 . 1 . . . . A 30 PHE HB3 . 34589 1 143 . 1 . 1 30 30 PHE HD1 H 1 7.06 0.02 . 3 . . . . A 30 PHE HD1 . 34589 1 144 . 1 . 1 30 30 PHE HD2 H 1 7.06 0.02 . 3 . . . . A 30 PHE HD2 . 34589 1 145 . 1 . 1 30 30 PHE C C 13 173.60 0.05 . 1 . . . . A 30 PHE C . 34589 1 146 . 1 . 1 30 30 PHE CA C 13 55.07 0.05 . 1 . . . . A 30 PHE CA . 34589 1 147 . 1 . 1 30 30 PHE CB C 13 41.34 0.05 . 1 . . . . A 30 PHE CB . 34589 1 148 . 1 . 1 30 30 PHE N N 15 122.87 0.05 . 1 . . . . A 30 PHE N . 34589 1 149 . 1 . 1 31 31 GLN H H 1 9.24 0.02 . 1 . . . . A 31 GLN H . 34589 1 150 . 1 . 1 31 31 GLN C C 13 173.80 0.05 . 1 . . . . A 31 GLN C . 34589 1 151 . 1 . 1 31 31 GLN CA C 13 53.66 0.05 . 1 . . . . A 31 GLN CA . 34589 1 152 . 1 . 1 31 31 GLN CB C 13 32.82 0.05 . 1 . . . . A 31 GLN CB . 34589 1 153 . 1 . 1 31 31 GLN N N 15 127.35 0.05 . 1 . . . . A 31 GLN N . 34589 1 154 . 1 . 1 32 32 VAL H H 1 8.65 0.02 . 1 . . . . A 32 VAL H . 34589 1 155 . 1 . 1 32 32 VAL HG21 H 1 0.77 0.02 . 1 . . . . A 32 VAL HG21 . 34589 1 156 . 1 . 1 32 32 VAL HG22 H 1 0.77 0.02 . 1 . . . . A 32 VAL HG22 . 34589 1 157 . 1 . 1 32 32 VAL HG23 H 1 0.77 0.02 . 1 . . . . A 32 VAL HG23 . 34589 1 158 . 1 . 1 32 32 VAL C C 13 173.00 0.05 . 1 . . . . A 32 VAL C . 34589 1 159 . 1 . 1 32 32 VAL CA C 13 58.65 0.05 . 1 . . . . A 32 VAL CA . 34589 1 160 . 1 . 1 32 32 VAL CB C 13 33.96 0.05 . 1 . . . . A 32 VAL CB . 34589 1 161 . 1 . 1 32 32 VAL CG2 C 13 19.79 0.05 . 1 . . . . A 32 VAL CG2 . 34589 1 162 . 1 . 1 32 32 VAL N N 15 122.84 0.05 . 1 . . . . A 32 VAL N . 34589 1 163 . 1 . 1 33 33 ARG H H 1 8.70 0.02 . 1 . . . . A 33 ARG H . 34589 1 164 . 1 . 1 33 33 ARG C C 13 174.80 0.05 . 1 . . . . A 33 ARG C . 34589 1 165 . 1 . 1 33 33 ARG CA C 13 53.71 0.05 . 1 . . . . A 33 ARG CA . 34589 1 166 . 1 . 1 33 33 ARG CB C 13 33.61 0.05 . 1 . . . . A 33 ARG CB . 34589 1 167 . 1 . 1 33 33 ARG N N 15 123.72 0.05 . 1 . . . . A 33 ARG N . 34589 1 168 . 1 . 1 34 34 GLY H H 1 8.48 0.02 . 1 . . . . A 34 GLY H . 34589 1 169 . 1 . 1 34 34 GLY C C 13 170.90 0.05 . 1 . . . . A 34 GLY C . 34589 1 170 . 1 . 1 34 34 GLY CA C 13 44.86 0.05 . 1 . . . . A 34 GLY CA . 34589 1 171 . 1 . 1 34 34 GLY N N 15 106.87 0.05 . 1 . . . . A 34 GLY N . 34589 1 172 . 1 . 1 35 35 GLY H H 1 8.24 0.02 . 1 . . . . A 35 GLY H . 34589 1 173 . 1 . 1 35 35 GLY C C 13 172.30 0.05 . 1 . . . . A 35 GLY C . 34589 1 174 . 1 . 1 35 35 GLY CA C 13 44.92 0.05 . 1 . . . . A 35 GLY CA . 34589 1 175 . 1 . 1 35 35 GLY N N 15 107.64 0.05 . 1 . . . . A 35 GLY N . 34589 1 176 . 1 . 1 36 36 LEU H H 1 9.06 0.02 . 1 . . . . A 36 LEU H . 34589 1 177 . 1 . 1 36 36 LEU HD21 H 1 0.64 0.02 . 1 . . . . A 36 LEU HD21 . 34589 1 178 . 1 . 1 36 36 LEU HD22 H 1 0.64 0.02 . 1 . . . . A 36 LEU HD22 . 34589 1 179 . 1 . 1 36 36 LEU HD23 H 1 0.64 0.02 . 1 . . . . A 36 LEU HD23 . 34589 1 180 . 1 . 1 36 36 LEU C C 13 174.90 0.05 . 1 . . . . A 36 LEU C . 34589 1 181 . 1 . 1 36 36 LEU CA C 13 53.26 0.05 . 1 . . . . A 36 LEU CA . 34589 1 182 . 1 . 1 36 36 LEU CB C 13 44.89 0.05 . 1 . . . . A 36 LEU CB . 34589 1 183 . 1 . 1 36 36 LEU CD2 C 13 24.35 0.05 . 1 . . . . A 36 LEU CD2 . 34589 1 184 . 1 . 1 36 36 LEU N N 15 123.51 0.05 . 1 . . . . A 36 LEU N . 34589 1 185 . 1 . 1 37 37 ASP H H 1 8.12 0.02 . 1 . . . . A 37 ASP H . 34589 1 186 . 1 . 1 37 37 ASP C C 13 177.60 0.05 . 1 . . . . A 37 ASP C . 34589 1 187 . 1 . 1 37 37 ASP CA C 13 53.92 0.05 . 1 . . . . A 37 ASP CA . 34589 1 188 . 1 . 1 37 37 ASP CB C 13 42.39 0.05 . 1 . . . . A 37 ASP CB . 34589 1 189 . 1 . 1 37 37 ASP N N 15 124.83 0.05 . 1 . . . . A 37 ASP N . 34589 1 190 . 1 . 1 38 38 THR H H 1 8.03 0.02 . 1 . . . . A 38 THR H . 34589 1 191 . 1 . 1 38 38 THR CA C 13 64.32 0.05 . 1 . . . . A 38 THR CA . 34589 1 192 . 1 . 1 38 38 THR CB C 13 68.57 0.05 . 1 . . . . A 38 THR CB . 34589 1 193 . 1 . 1 38 38 THR N N 15 116.36 0.05 . 1 . . . . A 38 THR N . 34589 1 194 . 1 . 1 39 39 LYS C C 13 176.10 0.05 . 1 . . . . A 39 LYS C . 34589 1 195 . 1 . 1 40 40 THR H H 1 8.57 0.02 . 1 . . . . A 40 THR H . 34589 1 196 . 1 . 1 40 40 THR C C 13 176.90 0.05 . 1 . . . . A 40 THR C . 34589 1 197 . 1 . 1 40 40 THR CA C 13 61.11 0.05 . 1 . . . . A 40 THR CA . 34589 1 198 . 1 . 1 40 40 THR CB C 13 70.96 0.05 . 1 . . . . A 40 THR CB . 34589 1 199 . 1 . 1 40 40 THR N N 15 119.32 0.05 . 1 . . . . A 40 THR N . 34589 1 200 . 1 . 1 41 41 GLY H H 1 8.36 0.02 . 1 . . . . A 41 GLY H . 34589 1 201 . 1 . 1 41 41 GLY C C 13 171.60 0.05 . 1 . . . . A 41 GLY C . 34589 1 202 . 1 . 1 41 41 GLY CA C 13 45.83 0.05 . 1 . . . . A 41 GLY CA . 34589 1 203 . 1 . 1 41 41 GLY N N 15 111.23 0.05 . 1 . . . . A 41 GLY N . 34589 1 204 . 1 . 1 42 42 GLN H H 1 7.61 0.02 . 1 . . . . A 42 GLN H . 34589 1 205 . 1 . 1 42 42 GLN CA C 13 52.39 0.05 . 1 . . . . A 42 GLN CA . 34589 1 206 . 1 . 1 42 42 GLN CB C 13 28.42 0.05 . 1 . . . . A 42 GLN CB . 34589 1 207 . 1 . 1 42 42 GLN N N 15 115.31 0.05 . 1 . . . . A 42 GLN N . 34589 1 208 . 1 . 1 43 43 PRO CA C 13 62.33 0.05 . 1 . . . . A 43 PRO CA . 34589 1 209 . 1 . 1 43 43 PRO CB C 13 30.88 0.05 . 1 . . . . A 43 PRO CB . 34589 1 210 . 1 . 1 44 44 SER H H 1 9.01 0.02 . 1 . . . . A 44 SER H . 34589 1 211 . 1 . 1 44 44 SER C C 13 173.80 0.05 . 1 . . . . A 44 SER C . 34589 1 212 . 1 . 1 44 44 SER CA C 13 57.85 0.05 . 1 . . . . A 44 SER CA . 34589 1 213 . 1 . 1 44 44 SER CB C 13 64.40 0.05 . 1 . . . . A 44 SER CB . 34589 1 214 . 1 . 1 44 44 SER N N 15 118.53 0.05 . 1 . . . . A 44 SER N . 34589 1 215 . 1 . 1 45 45 SER H H 1 7.70 0.02 . 1 . . . . A 45 SER H . 34589 1 216 . 1 . 1 45 45 SER C C 13 173.20 0.05 . 1 . . . . A 45 SER C . 34589 1 217 . 1 . 1 45 45 SER CA C 13 57.17 0.05 . 1 . . . . A 45 SER CA . 34589 1 218 . 1 . 1 45 45 SER CB C 13 64.47 0.05 . 1 . . . . A 45 SER CB . 34589 1 219 . 1 . 1 45 45 SER N N 15 113.62 0.05 . 1 . . . . A 45 SER N . 34589 1 220 . 1 . 1 46 46 GLY H H 1 8.68 0.02 . 1 . . . . A 46 GLY H . 34589 1 221 . 1 . 1 46 46 GLY C C 13 171.80 0.05 . 1 . . . . A 46 GLY C . 34589 1 222 . 1 . 1 46 46 GLY CA C 13 46.02 0.05 . 1 . . . . A 46 GLY CA . 34589 1 223 . 1 . 1 46 46 GLY N N 15 106.68 0.05 . 1 . . . . A 46 GLY N . 34589 1 224 . 1 . 1 47 47 SER H H 1 9.20 0.02 . 1 . . . . A 47 SER H . 34589 1 225 . 1 . 1 47 47 SER C C 13 171.80 0.05 . 1 . . . . A 47 SER C . 34589 1 226 . 1 . 1 47 47 SER CA C 13 57.39 0.05 . 1 . . . . A 47 SER CA . 34589 1 227 . 1 . 1 47 47 SER CB C 13 65.15 0.05 . 1 . . . . A 47 SER CB . 34589 1 228 . 1 . 1 47 47 SER N N 15 114.77 0.05 . 1 . . . . A 47 SER N . 34589 1 229 . 1 . 1 48 48 ALA H H 1 8.63 0.02 . 1 . . . . A 48 ALA H . 34589 1 230 . 1 . 1 48 48 ALA HB1 H 1 1.32 0.02 . 1 . . . . A 48 ALA HB1 . 34589 1 231 . 1 . 1 48 48 ALA HB2 H 1 1.32 0.02 . 1 . . . . A 48 ALA HB2 . 34589 1 232 . 1 . 1 48 48 ALA HB3 H 1 1.32 0.02 . 1 . . . . A 48 ALA HB3 . 34589 1 233 . 1 . 1 48 48 ALA C C 13 174.60 0.05 . 1 . . . . A 48 ALA C . 34589 1 234 . 1 . 1 48 48 ALA CA C 13 50.43 0.05 . 1 . . . . A 48 ALA CA . 34589 1 235 . 1 . 1 48 48 ALA CB C 13 20.57 0.05 . 1 . . . . A 48 ALA CB . 34589 1 236 . 1 . 1 48 48 ALA N N 15 123.32 0.05 . 1 . . . . A 48 ALA N . 34589 1 237 . 1 . 1 49 49 LEU H H 1 8.73 0.02 . 1 . . . . A 49 LEU H . 34589 1 238 . 1 . 1 49 49 LEU HD21 H 1 0.48 0.02 . 1 . . . . A 49 LEU HD21 . 34589 1 239 . 1 . 1 49 49 LEU HD22 H 1 0.48 0.02 . 1 . . . . A 49 LEU HD22 . 34589 1 240 . 1 . 1 49 49 LEU HD23 H 1 0.48 0.02 . 1 . . . . A 49 LEU HD23 . 34589 1 241 . 1 . 1 49 49 LEU C C 13 175.60 0.05 . 1 . . . . A 49 LEU C . 34589 1 242 . 1 . 1 49 49 LEU CA C 13 53.73 0.05 . 1 . . . . A 49 LEU CA . 34589 1 243 . 1 . 1 49 49 LEU CB C 13 46.05 0.05 . 1 . . . . A 49 LEU CB . 34589 1 244 . 1 . 1 49 49 LEU CD2 C 13 24.26 0.05 . 1 . . . . A 49 LEU CD2 . 34589 1 245 . 1 . 1 49 49 LEU N N 15 121.54 0.05 . 1 . . . . A 49 LEU N . 34589 1 246 . 1 . 1 50 50 ILE H H 1 9.16 0.02 . 1 . . . . A 50 ILE H . 34589 1 247 . 1 . 1 50 50 ILE HD11 H 1 0.83 0.02 . 1 . . . . A 50 ILE HD11 . 34589 1 248 . 1 . 1 50 50 ILE HD12 H 1 0.83 0.02 . 1 . . . . A 50 ILE HD12 . 34589 1 249 . 1 . 1 50 50 ILE HD13 H 1 0.83 0.02 . 1 . . . . A 50 ILE HD13 . 34589 1 250 . 1 . 1 50 50 ILE C C 13 174.30 0.05 . 1 . . . . A 50 ILE C . 34589 1 251 . 1 . 1 50 50 ILE CA C 13 59.57 0.05 . 1 . . . . A 50 ILE CA . 34589 1 252 . 1 . 1 50 50 ILE CB C 13 38.29 0.05 . 1 . . . . A 50 ILE CB . 34589 1 253 . 1 . 1 50 50 ILE CD1 C 13 12.30 0.05 . 1 . . . . A 50 ILE CD1 . 34589 1 254 . 1 . 1 50 50 ILE N N 15 122.53 0.05 . 1 . . . . A 50 ILE N . 34589 1 255 . 1 . 1 51 51 ARG H H 1 9.05 0.02 . 1 . . . . A 51 ARG H . 34589 1 256 . 1 . 1 51 51 ARG C C 13 174.10 0.05 . 1 . . . . A 51 ARG C . 34589 1 257 . 1 . 1 51 51 ARG CA C 13 53.57 0.05 . 1 . . . . A 51 ARG CA . 34589 1 258 . 1 . 1 51 51 ARG CB C 13 32.76 0.05 . 1 . . . . A 51 ARG CB . 34589 1 259 . 1 . 1 51 51 ARG N N 15 125.72 0.05 . 1 . . . . A 51 ARG N . 34589 1 260 . 1 . 1 52 52 HIS H H 1 9.40 0.02 . 1 . . . . A 52 HIS H . 34589 1 261 . 1 . 1 52 52 HIS C C 13 172.80 0.05 . 1 . . . . A 52 HIS C . 34589 1 262 . 1 . 1 52 52 HIS CA C 13 54.53 0.05 . 1 . . . . A 52 HIS CA . 34589 1 263 . 1 . 1 52 52 HIS CB C 13 33.99 0.05 . 1 . . . . A 52 HIS CB . 34589 1 264 . 1 . 1 52 52 HIS N N 15 124.52 0.05 . 1 . . . . A 52 HIS N . 34589 1 265 . 1 . 1 53 53 PHE H H 1 8.36 0.02 . 1 . . . . A 53 PHE H . 34589 1 266 . 1 . 1 53 53 PHE HB2 H 1 2.88 0.02 . 1 . . . . A 53 PHE HB2 . 34589 1 267 . 1 . 1 53 53 PHE HB3 H 1 2.88 0.02 . 1 . . . . A 53 PHE HB3 . 34589 1 268 . 1 . 1 53 53 PHE HD1 H 1 7.04 0.02 . 3 . . . . A 53 PHE HD1 . 34589 1 269 . 1 . 1 53 53 PHE HD2 H 1 7.04 0.02 . 3 . . . . A 53 PHE HD2 . 34589 1 270 . 1 . 1 53 53 PHE HE1 H 1 7.10 0.02 . 3 . . . . A 53 PHE HE1 . 34589 1 271 . 1 . 1 53 53 PHE HE2 H 1 7.10 0.02 . 3 . . . . A 53 PHE HE2 . 34589 1 272 . 1 . 1 53 53 PHE C C 13 172.50 0.05 . 1 . . . . A 53 PHE C . 34589 1 273 . 1 . 1 53 53 PHE CA C 13 55.60 0.05 . 1 . . . . A 53 PHE CA . 34589 1 274 . 1 . 1 53 53 PHE CB C 13 40.48 0.05 . 1 . . . . A 53 PHE CB . 34589 1 275 . 1 . 1 53 53 PHE N N 15 128.65 0.05 . 1 . . . . A 53 PHE N . 34589 1 276 . 1 . 1 54 54 TYR H H 1 8.40 0.02 . 1 . . . . A 54 TYR H . 34589 1 277 . 1 . 1 54 54 TYR HA H 1 4.46 0.02 . 1 . . . . A 54 TYR HA . 34589 1 278 . 1 . 1 54 54 TYR HB2 H 1 2.75 0.02 . 1 . . . . A 54 TYR HB2 . 34589 1 279 . 1 . 1 54 54 TYR HB3 H 1 2.75 0.02 . 1 . . . . A 54 TYR HB3 . 34589 1 280 . 1 . 1 54 54 TYR HD1 H 1 7.05 0.02 . 3 . . . . A 54 TYR HD1 . 34589 1 281 . 1 . 1 54 54 TYR HD2 H 1 7.05 0.02 . 3 . . . . A 54 TYR HD2 . 34589 1 282 . 1 . 1 54 54 TYR HE1 H 1 7.09 0.02 . 3 . . . . A 54 TYR HE1 . 34589 1 283 . 1 . 1 54 54 TYR HE2 H 1 7.09 0.02 . 3 . . . . A 54 TYR HE2 . 34589 1 284 . 1 . 1 54 54 TYR CA C 13 55.60 0.05 . 1 . . . . A 54 TYR CA . 34589 1 285 . 1 . 1 54 54 TYR CB C 13 40.45 0.05 . 1 . . . . A 54 TYR CB . 34589 1 286 . 1 . 1 54 54 TYR N N 15 123.98 0.05 . 1 . . . . A 54 TYR N . 34589 1 287 . 1 . 1 57 57 PHE C C 13 174.60 0.05 . 1 . . . . A 57 PHE C . 34589 1 288 . 1 . 1 57 57 PHE CA C 13 59.61 0.05 . 1 . . . . A 57 PHE CA . 34589 1 289 . 1 . 1 58 58 SER H H 1 7.87 0.02 . 1 . . . . A 58 SER H . 34589 1 290 . 1 . 1 58 58 SER C C 13 172.70 0.05 . 1 . . . . A 58 SER C . 34589 1 291 . 1 . 1 58 58 SER CA C 13 58.14 0.05 . 1 . . . . A 58 SER CA . 34589 1 292 . 1 . 1 58 58 SER CB C 13 61.84 0.05 . 1 . . . . A 58 SER CB . 34589 1 293 . 1 . 1 58 58 SER N N 15 117.54 0.05 . 1 . . . . A 58 SER N . 34589 1 294 . 1 . 1 59 59 ALA H H 1 7.06 0.02 . 1 . . . . A 59 ALA H . 34589 1 295 . 1 . 1 59 59 ALA HB1 H 1 1.38 0.02 . 1 . . . . A 59 ALA HB1 . 34589 1 296 . 1 . 1 59 59 ALA HB2 H 1 1.38 0.02 . 1 . . . . A 59 ALA HB2 . 34589 1 297 . 1 . 1 59 59 ALA HB3 H 1 1.38 0.02 . 1 . . . . A 59 ALA HB3 . 34589 1 298 . 1 . 1 59 59 ALA C C 13 175.90 0.05 . 1 . . . . A 59 ALA C . 34589 1 299 . 1 . 1 59 59 ALA CA C 13 49.65 0.05 . 1 . . . . A 59 ALA CA . 34589 1 300 . 1 . 1 59 59 ALA CB C 13 23.11 0.05 . 1 . . . . A 59 ALA CB . 34589 1 301 . 1 . 1 59 59 ALA N N 15 120.00 0.05 . 1 . . . . A 59 ALA N . 34589 1 302 . 1 . 1 60 60 THR H H 1 8.95 0.02 . 1 . . . . A 60 THR H . 34589 1 303 . 1 . 1 60 60 THR C C 13 172.40 0.05 . 1 . . . . A 60 THR C . 34589 1 304 . 1 . 1 60 60 THR CA C 13 60.97 0.05 . 1 . . . . A 60 THR CA . 34589 1 305 . 1 . 1 60 60 THR CB C 13 70.48 0.05 . 1 . . . . A 60 THR CB . 34589 1 306 . 1 . 1 60 60 THR N N 15 116.32 0.05 . 1 . . . . A 60 THR N . 34589 1 307 . 1 . 1 61 61 LEU H H 1 9.01 0.02 . 1 . . . . A 61 LEU H . 34589 1 308 . 1 . 1 61 61 LEU HD21 H 1 0.99 0.02 . 1 . . . . A 61 LEU HD21 . 34589 1 309 . 1 . 1 61 61 LEU HD22 H 1 0.99 0.02 . 1 . . . . A 61 LEU HD22 . 34589 1 310 . 1 . 1 61 61 LEU HD23 H 1 0.99 0.02 . 1 . . . . A 61 LEU HD23 . 34589 1 311 . 1 . 1 61 61 LEU C C 13 175.40 0.05 . 1 . . . . A 61 LEU C . 34589 1 312 . 1 . 1 61 61 LEU CA C 13 52.96 0.05 . 1 . . . . A 61 LEU CA . 34589 1 313 . 1 . 1 61 61 LEU CB C 13 45.81 0.05 . 1 . . . . A 61 LEU CB . 34589 1 314 . 1 . 1 61 61 LEU CD2 C 13 24.36 0.05 . 1 . . . . A 61 LEU CD2 . 34589 1 315 . 1 . 1 61 61 LEU N N 15 126.38 0.05 . 1 . . . . A 61 LEU N . 34589 1 316 . 1 . 1 62 62 GLY H H 1 9.22 0.02 . 1 . . . . A 62 GLY H . 34589 1 317 . 1 . 1 62 62 GLY C C 13 171.70 0.05 . 1 . . . . A 62 GLY C . 34589 1 318 . 1 . 1 62 62 GLY CA C 13 44.64 0.05 . 1 . . . . A 62 GLY CA . 34589 1 319 . 1 . 1 62 62 GLY N N 15 111.07 0.05 . 1 . . . . A 62 GLY N . 34589 1 320 . 1 . 1 63 63 VAL H H 1 8.65 0.02 . 1 . . . . A 63 VAL H . 34589 1 321 . 1 . 1 63 63 VAL HG21 H 1 1.02 0.02 . 1 . . . . A 63 VAL HG21 . 34589 1 322 . 1 . 1 63 63 VAL HG22 H 1 1.02 0.02 . 1 . . . . A 63 VAL HG22 . 34589 1 323 . 1 . 1 63 63 VAL HG23 H 1 1.02 0.02 . 1 . . . . A 63 VAL HG23 . 34589 1 324 . 1 . 1 63 63 VAL C C 13 174.00 0.05 . 1 . . . . A 63 VAL C . 34589 1 325 . 1 . 1 63 63 VAL CA C 13 59.00 0.05 . 1 . . . . A 63 VAL CA . 34589 1 326 . 1 . 1 63 63 VAL CB C 13 34.60 0.05 . 1 . . . . A 63 VAL CB . 34589 1 327 . 1 . 1 63 63 VAL CG2 C 13 19.90 0.05 . 1 . . . . A 63 VAL CG2 . 34589 1 328 . 1 . 1 63 63 VAL N N 15 118.98 0.05 . 1 . . . . A 63 VAL N . 34589 1 329 . 1 . 1 64 64 GLY H H 1 8.90 0.02 . 1 . . . . A 64 GLY H . 34589 1 330 . 1 . 1 64 64 GLY C C 13 171.50 0.05 . 1 . . . . A 64 GLY C . 34589 1 331 . 1 . 1 64 64 GLY CA C 13 46.07 0.05 . 1 . . . . A 64 GLY CA . 34589 1 332 . 1 . 1 64 64 GLY N N 15 111.89 0.05 . 1 . . . . A 64 GLY N . 34589 1 333 . 1 . 1 65 65 VAL H H 1 8.84 0.02 . 1 . . . . A 65 VAL H . 34589 1 334 . 1 . 1 65 65 VAL HG21 H 1 0.94 0.02 . 1 . . . . A 65 VAL HG21 . 34589 1 335 . 1 . 1 65 65 VAL HG22 H 1 0.94 0.02 . 1 . . . . A 65 VAL HG22 . 34589 1 336 . 1 . 1 65 65 VAL HG23 H 1 0.94 0.02 . 1 . . . . A 65 VAL HG23 . 34589 1 337 . 1 . 1 65 65 VAL C C 13 173.60 0.05 . 1 . . . . A 65 VAL C . 34589 1 338 . 1 . 1 65 65 VAL CA C 13 58.23 0.05 . 1 . . . . A 65 VAL CA . 34589 1 339 . 1 . 1 65 65 VAL CB C 13 34.90 0.05 . 1 . . . . A 65 VAL CB . 34589 1 340 . 1 . 1 65 65 VAL CG2 C 13 20.03 0.05 . 1 . . . . A 65 VAL CG2 . 34589 1 341 . 1 . 1 65 65 VAL N N 15 116.40 0.05 . 1 . . . . A 65 VAL N . 34589 1 342 . 1 . 1 66 66 ARG H H 1 9.22 0.02 . 1 . . . . A 66 ARG H . 34589 1 343 . 1 . 1 66 66 ARG C C 13 173.10 0.05 . 1 . . . . A 66 ARG C . 34589 1 344 . 1 . 1 66 66 ARG CA C 13 54.32 0.05 . 1 . . . . A 66 ARG CA . 34589 1 345 . 1 . 1 66 66 ARG CB C 13 33.55 0.05 . 1 . . . . A 66 ARG CB . 34589 1 346 . 1 . 1 66 66 ARG N N 15 121.86 0.05 . 1 . . . . A 66 ARG N . 34589 1 347 . 1 . 1 67 67 TYR H H 1 8.91 0.02 . 1 . . . . A 67 TYR H . 34589 1 348 . 1 . 1 67 67 TYR HB2 H 1 2.75 0.02 . 2 . . . . A 67 TYR HB2 . 34589 1 349 . 1 . 1 67 67 TYR HB3 H 1 2.56 0.02 . 2 . . . . A 67 TYR HB3 . 34589 1 350 . 1 . 1 67 67 TYR HD1 H 1 6.68 0.02 . 3 . . . . A 67 TYR HD1 . 34589 1 351 . 1 . 1 67 67 TYR HD2 H 1 6.68 0.02 . 3 . . . . A 67 TYR HD2 . 34589 1 352 . 1 . 1 67 67 TYR HE1 H 1 6.51 0.02 . 3 . . . . A 67 TYR HE1 . 34589 1 353 . 1 . 1 67 67 TYR HE2 H 1 6.51 0.02 . 3 . . . . A 67 TYR HE2 . 34589 1 354 . 1 . 1 67 67 TYR C C 13 173.70 0.05 . 1 . . . . A 67 TYR C . 34589 1 355 . 1 . 1 67 67 TYR CA C 13 56.17 0.05 . 1 . . . . A 67 TYR CA . 34589 1 356 . 1 . 1 67 67 TYR CB C 13 41.30 0.05 . 1 . . . . A 67 TYR CB . 34589 1 357 . 1 . 1 67 67 TYR N N 15 123.20 0.05 . 1 . . . . A 67 TYR N . 34589 1 358 . 1 . 1 68 68 ASP H H 1 8.04 0.02 . 1 . . . . A 68 ASP H . 34589 1 359 . 1 . 1 68 68 ASP C C 13 173.80 0.05 . 1 . . . . A 68 ASP C . 34589 1 360 . 1 . 1 68 68 ASP CA C 13 53.14 0.05 . 1 . . . . A 68 ASP CA . 34589 1 361 . 1 . 1 68 68 ASP CB C 13 43.52 0.05 . 1 . . . . A 68 ASP CB . 34589 1 362 . 1 . 1 68 68 ASP N N 15 125.81 0.05 . 1 . . . . A 68 ASP N . 34589 1 363 . 1 . 1 69 69 LYS H H 1 8.05 0.02 . 1 . . . . A 69 LYS H . 34589 1 364 . 1 . 1 69 69 LYS C C 13 176.40 0.05 . 1 . . . . A 69 LYS C . 34589 1 365 . 1 . 1 69 69 LYS CA C 13 55.68 0.05 . 1 . . . . A 69 LYS CA . 34589 1 366 . 1 . 1 69 69 LYS CB C 13 32.25 0.05 . 1 . . . . A 69 LYS CB . 34589 1 367 . 1 . 1 69 69 LYS N N 15 123.12 0.05 . 1 . . . . A 69 LYS N . 34589 1 368 . 1 . 1 70 70 GLN H H 1 8.54 0.02 . 1 . . . . A 70 GLN H . 34589 1 369 . 1 . 1 70 70 GLN CA C 13 55.07 0.05 . 1 . . . . A 70 GLN CA . 34589 1 370 . 1 . 1 70 70 GLN CB C 13 29.04 0.05 . 1 . . . . A 70 GLN CB . 34589 1 371 . 1 . 1 70 70 GLN N N 15 124.06 0.05 . 1 . . . . A 70 GLN N . 34589 1 372 . 1 . 1 72 72 SER C C 13 174.40 0.05 . 1 . . . . A 72 SER C . 34589 1 373 . 1 . 1 72 72 SER CA C 13 57.90 0.05 . 1 . . . . A 72 SER CA . 34589 1 374 . 1 . 1 72 72 SER CB C 13 63.24 0.05 . 1 . . . . A 72 SER CB . 34589 1 375 . 1 . 1 73 73 VAL H H 1 7.98 0.02 . 1 . . . . A 73 VAL H . 34589 1 376 . 1 . 1 73 73 VAL HG21 H 1 0.86 0.02 . 1 . . . . A 73 VAL HG21 . 34589 1 377 . 1 . 1 73 73 VAL HG22 H 1 0.86 0.02 . 1 . . . . A 73 VAL HG22 . 34589 1 378 . 1 . 1 73 73 VAL HG23 H 1 0.86 0.02 . 1 . . . . A 73 VAL HG23 . 34589 1 379 . 1 . 1 73 73 VAL C C 13 176.60 0.05 . 1 . . . . A 73 VAL C . 34589 1 380 . 1 . 1 73 73 VAL CA C 13 62.07 0.05 . 1 . . . . A 73 VAL CA . 34589 1 381 . 1 . 1 73 73 VAL CB C 13 31.56 0.05 . 1 . . . . A 73 VAL CB . 34589 1 382 . 1 . 1 73 73 VAL CG2 C 13 19.58 0.05 . 1 . . . . A 73 VAL CG2 . 34589 1 383 . 1 . 1 73 73 VAL N N 15 121.10 0.05 . 1 . . . . A 73 VAL N . 34589 1 384 . 1 . 1 74 74 GLY H H 1 8.33 0.02 . 1 . . . . A 74 GLY H . 34589 1 385 . 1 . 1 74 74 GLY C C 13 174.20 0.05 . 1 . . . . A 74 GLY C . 34589 1 386 . 1 . 1 74 74 GLY CA C 13 44.82 0.05 . 1 . . . . A 74 GLY CA . 34589 1 387 . 1 . 1 74 74 GLY N N 15 112.21 0.05 . 1 . . . . A 74 GLY N . 34589 1 388 . 1 . 1 75 75 VAL H H 1 7.81 0.02 . 1 . . . . A 75 VAL H . 34589 1 389 . 1 . 1 75 75 VAL HG21 H 1 0.82 0.02 . 1 . . . . A 75 VAL HG21 . 34589 1 390 . 1 . 1 75 75 VAL HG22 H 1 0.82 0.02 . 1 . . . . A 75 VAL HG22 . 34589 1 391 . 1 . 1 75 75 VAL HG23 H 1 0.82 0.02 . 1 . . . . A 75 VAL HG23 . 34589 1 392 . 1 . 1 75 75 VAL C C 13 176.20 0.05 . 1 . . . . A 75 VAL C . 34589 1 393 . 1 . 1 75 75 VAL CA C 13 61.96 0.05 . 1 . . . . A 75 VAL CA . 34589 1 394 . 1 . 1 75 75 VAL CB C 13 31.50 0.05 . 1 . . . . A 75 VAL CB . 34589 1 395 . 1 . 1 75 75 VAL CG2 C 13 19.38 0.05 . 1 . . . . A 75 VAL CG2 . 34589 1 396 . 1 . 1 75 75 VAL N N 15 119.47 0.05 . 1 . . . . A 75 VAL N . 34589 1 397 . 1 . 1 76 76 ARG H H 1 8.19 0.02 . 1 . . . . A 76 ARG H . 34589 1 398 . 1 . 1 76 76 ARG C C 13 176.00 0.05 . 1 . . . . A 76 ARG C . 34589 1 399 . 1 . 1 76 76 ARG CA C 13 56.17 0.05 . 1 . . . . A 76 ARG CA . 34589 1 400 . 1 . 1 76 76 ARG CB C 13 29.65 0.05 . 1 . . . . A 76 ARG CB . 34589 1 401 . 1 . 1 76 76 ARG N N 15 123.57 0.05 . 1 . . . . A 76 ARG N . 34589 1 402 . 1 . 1 77 77 TYR H H 1 7.90 0.02 . 1 . . . . A 77 TYR H . 34589 1 403 . 1 . 1 77 77 TYR C C 13 175.40 0.05 . 1 . . . . A 77 TYR C . 34589 1 404 . 1 . 1 77 77 TYR CA C 13 57.10 0.05 . 1 . . . . A 77 TYR CA . 34589 1 405 . 1 . 1 77 77 TYR CB C 13 37.68 0.05 . 1 . . . . A 77 TYR CB . 34589 1 406 . 1 . 1 77 77 TYR N N 15 120.22 0.05 . 1 . . . . A 77 TYR N . 34589 1 407 . 1 . 1 78 78 ALA H H 1 8.10 0.02 . 1 . . . . A 78 ALA H . 34589 1 408 . 1 . 1 78 78 ALA HB1 H 1 1.32 0.02 . 1 . . . . A 78 ALA HB1 . 34589 1 409 . 1 . 1 78 78 ALA HB2 H 1 1.32 0.02 . 1 . . . . A 78 ALA HB2 . 34589 1 410 . 1 . 1 78 78 ALA HB3 H 1 1.32 0.02 . 1 . . . . A 78 ALA HB3 . 34589 1 411 . 1 . 1 78 78 ALA C C 13 177.40 0.05 . 1 . . . . A 78 ALA C . 34589 1 412 . 1 . 1 78 78 ALA CA C 13 52.04 0.05 . 1 . . . . A 78 ALA CA . 34589 1 413 . 1 . 1 78 78 ALA CB C 13 18.59 0.05 . 1 . . . . A 78 ALA CB . 34589 1 414 . 1 . 1 78 78 ALA N N 15 125.27 0.05 . 1 . . . . A 78 ALA N . 34589 1 415 . 1 . 1 79 79 LYS H H 1 8.10 0.02 . 1 . . . . A 79 LYS H . 34589 1 416 . 1 . 1 79 79 LYS CA C 13 55.84 0.05 . 1 . . . . A 79 LYS CA . 34589 1 417 . 1 . 1 79 79 LYS CB C 13 31.91 0.05 . 1 . . . . A 79 LYS CB . 34589 1 418 . 1 . 1 79 79 LYS N N 15 119.92 0.05 . 1 . . . . A 79 LYS N . 34589 1 419 . 1 . 1 80 80 ASN C C 13 174.50 0.05 . 1 . . . . A 80 ASN C . 34589 1 420 . 1 . 1 80 80 ASN CA C 13 52.72 0.05 . 1 . . . . A 80 ASN CA . 34589 1 421 . 1 . 1 80 80 ASN CB C 13 38.70 0.05 . 1 . . . . A 80 ASN CB . 34589 1 422 . 1 . 1 81 81 ASP H H 1 8.22 0.02 . 1 . . . . A 81 ASP H . 34589 1 423 . 1 . 1 81 81 ASP C C 13 175.20 0.05 . 1 . . . . A 81 ASP C . 34589 1 424 . 1 . 1 81 81 ASP CA C 13 53.80 0.05 . 1 . . . . A 81 ASP CA . 34589 1 425 . 1 . 1 81 81 ASP CB C 13 40.69 0.05 . 1 . . . . A 81 ASP CB . 34589 1 426 . 1 . 1 81 81 ASP N N 15 120.96 0.05 . 1 . . . . A 81 ASP N . 34589 1 427 . 1 . 1 82 82 LYS H H 1 7.93 0.02 . 1 . . . . A 82 LYS H . 34589 1 428 . 1 . 1 82 82 LYS C C 13 175.50 0.05 . 1 . . . . A 82 LYS C . 34589 1 429 . 1 . 1 82 82 LYS CA C 13 55.02 0.05 . 1 . . . . A 82 LYS CA . 34589 1 430 . 1 . 1 82 82 LYS CB C 13 34.06 0.05 . 1 . . . . A 82 LYS CB . 34589 1 431 . 1 . 1 82 82 LYS N N 15 119.64 0.05 . 1 . . . . A 82 LYS N . 34589 1 432 . 1 . 1 83 83 LEU H H 1 8.32 0.02 . 1 . . . . A 83 LEU H . 34589 1 433 . 1 . 1 83 83 LEU HD21 H 1 0.66 0.02 . 1 . . . . A 83 LEU HD21 . 34589 1 434 . 1 . 1 83 83 LEU HD22 H 1 0.66 0.02 . 1 . . . . A 83 LEU HD22 . 34589 1 435 . 1 . 1 83 83 LEU HD23 H 1 0.66 0.02 . 1 . . . . A 83 LEU HD23 . 34589 1 436 . 1 . 1 83 83 LEU C C 13 175.70 0.05 . 1 . . . . A 83 LEU C . 34589 1 437 . 1 . 1 83 83 LEU CA C 13 54.11 0.05 . 1 . . . . A 83 LEU CA . 34589 1 438 . 1 . 1 83 83 LEU CB C 13 42.46 0.05 . 1 . . . . A 83 LEU CB . 34589 1 439 . 1 . 1 83 83 LEU CD2 C 13 24.11 0.05 . 1 . . . . A 83 LEU CD2 . 34589 1 440 . 1 . 1 83 83 LEU N N 15 123.25 0.05 . 1 . . . . A 83 LEU N . 34589 1 441 . 1 . 1 84 84 ARG H H 1 8.66 0.02 . 1 . . . . A 84 ARG H . 34589 1 442 . 1 . 1 84 84 ARG C C 13 175.30 0.05 . 1 . . . . A 84 ARG C . 34589 1 443 . 1 . 1 84 84 ARG CA C 13 53.73 0.05 . 1 . . . . A 84 ARG CA . 34589 1 444 . 1 . 1 84 84 ARG CB C 13 31.43 0.05 . 1 . . . . A 84 ARG CB . 34589 1 445 . 1 . 1 84 84 ARG N N 15 121.53 0.05 . 1 . . . . A 84 ARG N . 34589 1 446 . 1 . 1 85 85 TYR H H 1 8.81 0.02 . 1 . . . . A 85 TYR H . 34589 1 447 . 1 . 1 85 85 TYR HB2 H 1 3.06 0.02 . 2 . . . . A 85 TYR HB2 . 34589 1 448 . 1 . 1 85 85 TYR HB3 H 1 2.60 0.02 . 2 . . . . A 85 TYR HB3 . 34589 1 449 . 1 . 1 85 85 TYR HD1 H 1 6.80 0.02 . 3 . . . . A 85 TYR HD1 . 34589 1 450 . 1 . 1 85 85 TYR HD2 H 1 6.80 0.02 . 3 . . . . A 85 TYR HD2 . 34589 1 451 . 1 . 1 85 85 TYR HE1 H 1 6.56 0.02 . 3 . . . . A 85 TYR HE1 . 34589 1 452 . 1 . 1 85 85 TYR HE2 H 1 6.56 0.02 . 3 . . . . A 85 TYR HE2 . 34589 1 453 . 1 . 1 85 85 TYR C C 13 175.50 0.05 . 1 . . . . A 85 TYR C . 34589 1 454 . 1 . 1 85 85 TYR CA C 13 55.79 0.05 . 1 . . . . A 85 TYR CA . 34589 1 455 . 1 . 1 85 85 TYR CB C 13 39.56 0.05 . 1 . . . . A 85 TYR CB . 34589 1 456 . 1 . 1 85 85 TYR N N 15 121.78 0.05 . 1 . . . . A 85 TYR N . 34589 1 457 . 1 . 1 86 86 THR H H 1 8.74 0.02 . 1 . . . . A 86 THR H . 34589 1 458 . 1 . 1 86 86 THR C C 13 171.80 0.05 . 1 . . . . A 86 THR C . 34589 1 459 . 1 . 1 86 86 THR CA C 13 59.50 0.05 . 1 . . . . A 86 THR CA . 34589 1 460 . 1 . 1 86 86 THR CB C 13 70.90 0.05 . 1 . . . . A 86 THR CB . 34589 1 461 . 1 . 1 86 86 THR N N 15 115.57 0.05 . 1 . . . . A 86 THR N . 34589 1 462 . 1 . 1 87 87 VAL H H 1 8.48 0.02 . 1 . . . . A 87 VAL H . 34589 1 463 . 1 . 1 87 87 VAL HG21 H 1 1.06 0.02 . 1 . . . . A 87 VAL HG21 . 34589 1 464 . 1 . 1 87 87 VAL HG22 H 1 1.06 0.02 . 1 . . . . A 87 VAL HG22 . 34589 1 465 . 1 . 1 87 87 VAL HG23 H 1 1.06 0.02 . 1 . . . . A 87 VAL HG23 . 34589 1 466 . 1 . 1 87 87 VAL C C 13 173.90 0.05 . 1 . . . . A 87 VAL C . 34589 1 467 . 1 . 1 87 87 VAL CA C 13 59.61 0.05 . 1 . . . . A 87 VAL CA . 34589 1 468 . 1 . 1 87 87 VAL CB C 13 34.26 0.05 . 1 . . . . A 87 VAL CB . 34589 1 469 . 1 . 1 87 87 VAL CG2 C 13 20.36 0.05 . 1 . . . . A 87 VAL CG2 . 34589 1 470 . 1 . 1 87 87 VAL N N 15 123.09 0.05 . 1 . . . . A 87 VAL N . 34589 1 471 . 1 . 1 88 88 LEU H H 1 8.97 0.02 . 1 . . . . A 88 LEU H . 34589 1 472 . 1 . 1 88 88 LEU HD21 H 1 0.48 0.02 . 1 . . . . A 88 LEU HD21 . 34589 1 473 . 1 . 1 88 88 LEU HD22 H 1 0.48 0.02 . 1 . . . . A 88 LEU HD22 . 34589 1 474 . 1 . 1 88 88 LEU HD23 H 1 0.48 0.02 . 1 . . . . A 88 LEU HD23 . 34589 1 475 . 1 . 1 88 88 LEU C C 13 174.50 0.05 . 1 . . . . A 88 LEU C . 34589 1 476 . 1 . 1 88 88 LEU CA C 13 53.92 0.05 . 1 . . . . A 88 LEU CA . 34589 1 477 . 1 . 1 88 88 LEU CB C 13 45.06 0.05 . 1 . . . . A 88 LEU CB . 34589 1 478 . 1 . 1 88 88 LEU CD2 C 13 24.47 0.05 . 1 . . . . A 88 LEU CD2 . 34589 1 479 . 1 . 1 88 88 LEU N N 15 125.70 0.05 . 1 . . . . A 88 LEU N . 34589 1 480 . 1 . 1 89 89 ALA H H 1 9.10 0.02 . 1 . . . . A 89 ALA H . 34589 1 481 . 1 . 1 89 89 ALA HB1 H 1 1.30 0.02 . 1 . . . . A 89 ALA HB1 . 34589 1 482 . 1 . 1 89 89 ALA HB2 H 1 1.30 0.02 . 1 . . . . A 89 ALA HB2 . 34589 1 483 . 1 . 1 89 89 ALA HB3 H 1 1.30 0.02 . 1 . . . . A 89 ALA HB3 . 34589 1 484 . 1 . 1 89 89 ALA C C 13 175.80 0.05 . 1 . . . . A 89 ALA C . 34589 1 485 . 1 . 1 89 89 ALA CA C 13 50.50 0.05 . 1 . . . . A 89 ALA CA . 34589 1 486 . 1 . 1 89 89 ALA CB C 13 22.27 0.05 . 1 . . . . A 89 ALA CB . 34589 1 487 . 1 . 1 89 89 ALA N N 15 124.14 0.05 . 1 . . . . A 89 ALA N . 34589 1 488 . 1 . 1 90 90 LYS H H 1 8.69 0.02 . 1 . . . . A 90 LYS H . 34589 1 489 . 1 . 1 90 90 LYS C C 13 174.20 0.05 . 1 . . . . A 90 LYS C . 34589 1 490 . 1 . 1 90 90 LYS CA C 13 54.76 0.05 . 1 . . . . A 90 LYS CA . 34589 1 491 . 1 . 1 90 90 LYS CB C 13 35.90 0.05 . 1 . . . . A 90 LYS CB . 34589 1 492 . 1 . 1 90 90 LYS N N 15 117.63 0.05 . 1 . . . . A 90 LYS N . 34589 1 493 . 1 . 1 91 91 LYS H H 1 8.75 0.02 . 1 . . . . A 91 LYS H . 34589 1 494 . 1 . 1 91 91 LYS C C 13 173.70 0.05 . 1 . . . . A 91 LYS C . 34589 1 495 . 1 . 1 91 91 LYS CA C 13 55.42 0.05 . 1 . . . . A 91 LYS CA . 34589 1 496 . 1 . 1 91 91 LYS CB C 13 35.77 0.05 . 1 . . . . A 91 LYS CB . 34589 1 497 . 1 . 1 91 91 LYS N N 15 122.50 0.05 . 1 . . . . A 91 LYS N . 34589 1 498 . 1 . 1 92 92 THR H H 1 8.43 0.02 . 1 . . . . A 92 THR H . 34589 1 499 . 1 . 1 92 92 THR C C 13 173.40 0.05 . 1 . . . . A 92 THR C . 34589 1 500 . 1 . 1 92 92 THR CA C 13 61.56 0.05 . 1 . . . . A 92 THR CA . 34589 1 501 . 1 . 1 92 92 THR CB C 13 69.69 0.05 . 1 . . . . A 92 THR CB . 34589 1 502 . 1 . 1 92 92 THR N N 15 122.42 0.05 . 1 . . . . A 92 THR N . 34589 1 503 . 1 . 1 93 93 PHE H H 1 10.02 0.02 . 1 . . . . A 93 PHE H . 34589 1 504 . 1 . 1 93 93 PHE HB2 H 1 3.13 0.02 . 2 . . . . A 93 PHE HB2 . 34589 1 505 . 1 . 1 93 93 PHE HB3 H 1 2.90 0.02 . 2 . . . . A 93 PHE HB3 . 34589 1 506 . 1 . 1 93 93 PHE HD1 H 1 7.24 0.02 . 3 . . . . A 93 PHE HD1 . 34589 1 507 . 1 . 1 93 93 PHE HD2 H 1 7.24 0.02 . 3 . . . . A 93 PHE HD2 . 34589 1 508 . 1 . 1 93 93 PHE HE1 H 1 7.45 0.02 . 3 . . . . A 93 PHE HE1 . 34589 1 509 . 1 . 1 93 93 PHE HE2 H 1 7.45 0.02 . 3 . . . . A 93 PHE HE2 . 34589 1 510 . 1 . 1 93 93 PHE HZ H 1 6.30 0.02 . 1 . . . . A 93 PHE HZ . 34589 1 511 . 1 . 1 93 93 PHE CA C 13 54.22 0.05 . 1 . . . . A 93 PHE CA . 34589 1 512 . 1 . 1 93 93 PHE CB C 13 40.02 0.05 . 1 . . . . A 93 PHE CB . 34589 1 513 . 1 . 1 93 93 PHE N N 15 126.12 0.05 . 1 . . . . A 93 PHE N . 34589 1 514 . 1 . 1 94 94 PRO CA C 13 62.99 0.05 . 1 . . . . A 94 PRO CA . 34589 1 515 . 1 . 1 94 94 PRO CB C 13 31.02 0.05 . 1 . . . . A 94 PRO CB . 34589 1 516 . 1 . 1 95 95 VAL H H 1 8.64 0.02 . 1 . . . . A 95 VAL H . 34589 1 517 . 1 . 1 95 95 VAL HG21 H 1 1.09 0.02 . 1 . . . . A 95 VAL HG21 . 34589 1 518 . 1 . 1 95 95 VAL HG22 H 1 1.09 0.02 . 1 . . . . A 95 VAL HG22 . 34589 1 519 . 1 . 1 95 95 VAL HG23 H 1 1.09 0.02 . 1 . . . . A 95 VAL HG23 . 34589 1 520 . 1 . 1 95 95 VAL C C 13 175.70 0.05 . 1 . . . . A 95 VAL C . 34589 1 521 . 1 . 1 95 95 VAL CA C 13 62.94 0.05 . 1 . . . . A 95 VAL CA . 34589 1 522 . 1 . 1 95 95 VAL CB C 13 32.21 0.05 . 1 . . . . A 95 VAL CB . 34589 1 523 . 1 . 1 95 95 VAL CG2 C 13 21.67 0.05 . 1 . . . . A 95 VAL CG2 . 34589 1 524 . 1 . 1 95 95 VAL N N 15 121.33 0.05 . 1 . . . . A 95 VAL N . 34589 1 525 . 1 . 1 96 96 THR H H 1 7.30 0.02 . 1 . . . . A 96 THR H . 34589 1 526 . 1 . 1 96 96 THR CA C 13 59.21 0.05 . 1 . . . . A 96 THR CA . 34589 1 527 . 1 . 1 96 96 THR CB C 13 69.76 0.05 . 1 . . . . A 96 THR CB . 34589 1 528 . 1 . 1 96 96 THR N N 15 105.62 0.05 . 1 . . . . A 96 THR N . 34589 1 529 . 1 . 1 98 98 ASP C C 13 177.20 0.05 . 1 . . . . A 98 ASP C . 34589 1 530 . 1 . 1 98 98 ASP CA C 13 53.00 0.05 . 1 . . . . A 98 ASP CA . 34589 1 531 . 1 . 1 98 98 ASP CB C 13 40.72 0.05 . 1 . . . . A 98 ASP CB . 34589 1 532 . 1 . 1 99 99 GLY H H 1 7.89 0.02 . 1 . . . . A 99 GLY H . 34589 1 533 . 1 . 1 99 99 GLY C C 13 175.30 0.05 . 1 . . . . A 99 GLY C . 34589 1 534 . 1 . 1 99 99 GLY CA C 13 45.72 0.05 . 1 . . . . A 99 GLY CA . 34589 1 535 . 1 . 1 99 99 GLY N N 15 107.90 0.05 . 1 . . . . A 99 GLY N . 34589 1 536 . 1 . 1 100 100 LEU H H 1 8.23 0.02 . 1 . . . . A 100 LEU H . 34589 1 537 . 1 . 1 100 100 LEU HD21 H 1 0.70 0.02 . 1 . . . . A 100 LEU HD21 . 34589 1 538 . 1 . 1 100 100 LEU HD22 H 1 0.70 0.02 . 1 . . . . A 100 LEU HD22 . 34589 1 539 . 1 . 1 100 100 LEU HD23 H 1 0.70 0.02 . 1 . . . . A 100 LEU HD23 . 34589 1 540 . 1 . 1 100 100 LEU C C 13 177.30 0.05 . 1 . . . . A 100 LEU C . 34589 1 541 . 1 . 1 100 100 LEU CA C 13 56.85 0.05 . 1 . . . . A 100 LEU CA . 34589 1 542 . 1 . 1 100 100 LEU CB C 13 39.82 0.05 . 1 . . . . A 100 LEU CB . 34589 1 543 . 1 . 1 100 100 LEU CD2 C 13 22.68 0.05 . 1 . . . . A 100 LEU CD2 . 34589 1 544 . 1 . 1 100 100 LEU N N 15 119.70 0.05 . 1 . . . . A 100 LEU N . 34589 1 545 . 1 . 1 101 101 VAL H H 1 7.25 0.02 . 1 . . . . A 101 VAL H . 34589 1 546 . 1 . 1 101 101 VAL HG21 H 1 0.87 0.02 . 1 . . . . A 101 VAL HG21 . 34589 1 547 . 1 . 1 101 101 VAL HG22 H 1 0.87 0.02 . 1 . . . . A 101 VAL HG22 . 34589 1 548 . 1 . 1 101 101 VAL HG23 H 1 0.87 0.02 . 1 . . . . A 101 VAL HG23 . 34589 1 549 . 1 . 1 101 101 VAL C C 13 175.90 0.05 . 1 . . . . A 101 VAL C . 34589 1 550 . 1 . 1 101 101 VAL CA C 13 60.45 0.05 . 1 . . . . A 101 VAL CA . 34589 1 551 . 1 . 1 101 101 VAL CB C 13 32.01 0.05 . 1 . . . . A 101 VAL CB . 34589 1 552 . 1 . 1 101 101 VAL CG2 C 13 20.82 0.05 . 1 . . . . A 101 VAL CG2 . 34589 1 553 . 1 . 1 101 101 VAL N N 15 117.51 0.05 . 1 . . . . A 101 VAL N . 34589 1 554 . 1 . 1 102 102 ASN H H 1 9.08 0.02 . 1 . . . . A 102 ASN H . 34589 1 555 . 1 . 1 102 102 ASN C C 13 172.10 0.05 . 1 . . . . A 102 ASN C . 34589 1 556 . 1 . 1 102 102 ASN CA C 13 52.51 0.05 . 1 . . . . A 102 ASN CA . 34589 1 557 . 1 . 1 102 102 ASN CB C 13 42.94 0.05 . 1 . . . . A 102 ASN CB . 34589 1 558 . 1 . 1 102 102 ASN N N 15 124.62 0.05 . 1 . . . . A 102 ASN N . 34589 1 559 . 1 . 1 103 103 PHE H H 1 9.18 0.02 . 1 . . . . A 103 PHE H . 34589 1 560 . 1 . 1 103 103 PHE HB2 H 1 2.80 0.02 . 1 . . . . A 103 PHE HB2 . 34589 1 561 . 1 . 1 103 103 PHE HB3 H 1 2.80 0.02 . 1 . . . . A 103 PHE HB3 . 34589 1 562 . 1 . 1 103 103 PHE HD1 H 1 6.74 0.02 . 3 . . . . A 103 PHE HD1 . 34589 1 563 . 1 . 1 103 103 PHE HD2 H 1 6.74 0.02 . 3 . . . . A 103 PHE HD2 . 34589 1 564 . 1 . 1 103 103 PHE HE1 H 1 7.07 0.02 . 3 . . . . A 103 PHE HE1 . 34589 1 565 . 1 . 1 103 103 PHE HE2 H 1 7.07 0.02 . 3 . . . . A 103 PHE HE2 . 34589 1 566 . 1 . 1 103 103 PHE HZ H 1 6.56 0.02 . 1 . . . . A 103 PHE HZ . 34589 1 567 . 1 . 1 103 103 PHE C C 13 172.90 0.05 . 1 . . . . A 103 PHE C . 34589 1 568 . 1 . 1 103 103 PHE CA C 13 55.42 0.05 . 1 . . . . A 103 PHE CA . 34589 1 569 . 1 . 1 103 103 PHE CB C 13 42.43 0.05 . 1 . . . . A 103 PHE CB . 34589 1 570 . 1 . 1 103 103 PHE N N 15 121.88 0.05 . 1 . . . . A 103 PHE N . 34589 1 571 . 1 . 1 104 104 LYS H H 1 8.88 0.02 . 1 . . . . A 104 LYS H . 34589 1 572 . 1 . 1 104 104 LYS C C 13 174.70 0.05 . 1 . . . . A 104 LYS C . 34589 1 573 . 1 . 1 104 104 LYS CA C 13 54.01 0.05 . 1 . . . . A 104 LYS CA . 34589 1 574 . 1 . 1 104 104 LYS CB C 13 35.94 0.05 . 1 . . . . A 104 LYS CB . 34589 1 575 . 1 . 1 104 104 LYS N N 15 127.43 0.05 . 1 . . . . A 104 LYS N . 34589 1 576 . 1 . 1 105 105 ILE H H 1 8.54 0.02 . 1 . . . . A 105 ILE H . 34589 1 577 . 1 . 1 105 105 ILE HD11 H 1 0.95 0.02 . 1 . . . . A 105 ILE HD11 . 34589 1 578 . 1 . 1 105 105 ILE HD12 H 1 0.95 0.02 . 1 . . . . A 105 ILE HD12 . 34589 1 579 . 1 . 1 105 105 ILE HD13 H 1 0.95 0.02 . 1 . . . . A 105 ILE HD13 . 34589 1 580 . 1 . 1 105 105 ILE C C 13 174.10 0.05 . 1 . . . . A 105 ILE C . 34589 1 581 . 1 . 1 105 105 ILE CA C 13 58.77 0.05 . 1 . . . . A 105 ILE CA . 34589 1 582 . 1 . 1 105 105 ILE CB C 13 39.89 0.05 . 1 . . . . A 105 ILE CB . 34589 1 583 . 1 . 1 105 105 ILE CD1 C 13 12.78 0.05 . 1 . . . . A 105 ILE CD1 . 34589 1 584 . 1 . 1 105 105 ILE N N 15 120.20 0.05 . 1 . . . . A 105 ILE N . 34589 1 585 . 1 . 1 106 106 LYS H H 1 8.54 0.02 . 1 . . . . A 106 LYS H . 34589 1 586 . 1 . 1 106 106 LYS C C 13 174.30 0.05 . 1 . . . . A 106 LYS C . 34589 1 587 . 1 . 1 106 106 LYS CA C 13 53.80 0.05 . 1 . . . . A 106 LYS CA . 34589 1 588 . 1 . 1 106 106 LYS CB C 13 35.53 0.05 . 1 . . . . A 106 LYS CB . 34589 1 589 . 1 . 1 106 106 LYS N N 15 122.54 0.05 . 1 . . . . A 106 LYS N . 34589 1 590 . 1 . 1 107 107 GLY H H 1 8.82 0.02 . 1 . . . . A 107 GLY H . 34589 1 591 . 1 . 1 107 107 GLY C C 13 171.30 0.05 . 1 . . . . A 107 GLY C . 34589 1 592 . 1 . 1 107 107 GLY CA C 13 45.29 0.05 . 1 . . . . A 107 GLY CA . 34589 1 593 . 1 . 1 107 107 GLY N N 15 107.01 0.05 . 1 . . . . A 107 GLY N . 34589 1 594 . 1 . 1 108 108 GLY H H 1 8.88 0.02 . 1 . . . . A 108 GLY H . 34589 1 595 . 1 . 1 108 108 GLY C C 13 171.10 0.05 . 1 . . . . A 108 GLY C . 34589 1 596 . 1 . 1 108 108 GLY CA C 13 45.41 0.05 . 1 . . . . A 108 GLY CA . 34589 1 597 . 1 . 1 108 108 GLY N N 15 107.88 0.05 . 1 . . . . A 108 GLY N . 34589 1 598 . 1 . 1 109 109 CYS H H 1 8.72 0.02 . 1 . . . . A 109 CYS H . 34589 1 599 . 1 . 1 109 109 CYS C C 13 171.90 0.05 . 1 . . . . A 109 CYS C . 34589 1 600 . 1 . 1 109 109 CYS CA C 13 56.31 0.05 . 1 . . . . A 109 CYS CA . 34589 1 601 . 1 . 1 109 109 CYS CB C 13 30.81 0.05 . 1 . . . . A 109 CYS CB . 34589 1 602 . 1 . 1 109 109 CYS N N 15 116.42 0.05 . 1 . . . . A 109 CYS N . 34589 1 603 . 1 . 1 110 110 ASP H H 1 8.82 0.02 . 1 . . . . A 110 ASP H . 34589 1 604 . 1 . 1 110 110 ASP C C 13 174.60 0.05 . 1 . . . . A 110 ASP C . 34589 1 605 . 1 . 1 110 110 ASP CA C 13 52.09 0.05 . 1 . . . . A 110 ASP CA . 34589 1 606 . 1 . 1 110 110 ASP CB C 13 44.00 0.05 . 1 . . . . A 110 ASP CB . 34589 1 607 . 1 . 1 110 110 ASP N N 15 122.70 0.05 . 1 . . . . A 110 ASP N . 34589 1 608 . 1 . 1 111 111 VAL H H 1 8.95 0.02 . 1 . . . . A 111 VAL H . 34589 1 609 . 1 . 1 111 111 VAL HG21 H 1 -0.20 0.02 . 1 . . . . A 111 VAL HG21 . 34589 1 610 . 1 . 1 111 111 VAL HG22 H 1 -0.20 0.02 . 1 . . . . A 111 VAL HG22 . 34589 1 611 . 1 . 1 111 111 VAL HG23 H 1 -0.20 0.02 . 1 . . . . A 111 VAL HG23 . 34589 1 612 . 1 . 1 111 111 VAL C C 13 172.70 0.05 . 1 . . . . A 111 VAL C . 34589 1 613 . 1 . 1 111 111 VAL CA C 13 58.72 0.05 . 1 . . . . A 111 VAL CA . 34589 1 614 . 1 . 1 111 111 VAL CB C 13 33.99 0.05 . 1 . . . . A 111 VAL CB . 34589 1 615 . 1 . 1 111 111 VAL CG2 C 13 19.54 0.05 . 1 . . . . A 111 VAL CG2 . 34589 1 616 . 1 . 1 111 111 VAL N N 15 121.07 0.05 . 1 . . . . A 111 VAL N . 34589 1 617 . 1 . 1 112 112 ASP H H 1 7.78 0.02 . 1 . . . . A 112 ASP H . 34589 1 618 . 1 . 1 112 112 ASP C C 13 176.40 0.05 . 1 . . . . A 112 ASP C . 34589 1 619 . 1 . 1 112 112 ASP CA C 13 53.73 0.05 . 1 . . . . A 112 ASP CA . 34589 1 620 . 1 . 1 112 112 ASP CB C 13 41.88 0.05 . 1 . . . . A 112 ASP CB . 34589 1 621 . 1 . 1 112 112 ASP N N 15 123.76 0.05 . 1 . . . . A 112 ASP N . 34589 1 622 . 1 . 1 113 113 GLN H H 1 8.02 0.02 . 1 . . . . A 113 GLN H . 34589 1 623 . 1 . 1 113 113 GLN C C 13 175.00 0.05 . 1 . . . . A 113 GLN C . 34589 1 624 . 1 . 1 113 113 GLN CA C 13 57.39 0.05 . 1 . . . . A 113 GLN CA . 34589 1 625 . 1 . 1 113 113 GLN CB C 13 28.11 0.05 . 1 . . . . A 113 GLN CB . 34589 1 626 . 1 . 1 113 113 GLN N N 15 114.81 0.05 . 1 . . . . A 113 GLN N . 34589 1 627 . 1 . 1 114 114 ASP H H 1 7.48 0.02 . 1 . . . . A 114 ASP H . 34589 1 628 . 1 . 1 114 114 ASP C C 13 175.40 0.05 . 1 . . . . A 114 ASP C . 34589 1 629 . 1 . 1 114 114 ASP CA C 13 53.68 0.05 . 1 . . . . A 114 ASP CA . 34589 1 630 . 1 . 1 114 114 ASP CB C 13 40.75 0.05 . 1 . . . . A 114 ASP CB . 34589 1 631 . 1 . 1 114 114 ASP N N 15 116.34 0.05 . 1 . . . . A 114 ASP N . 34589 1 632 . 1 . 1 115 115 PHE H H 1 7.97 0.02 . 1 . . . . A 115 PHE H . 34589 1 633 . 1 . 1 115 115 PHE HB2 H 1 3.41 0.02 . 1 . . . . A 115 PHE HB2 . 34589 1 634 . 1 . 1 115 115 PHE HB3 H 1 3.41 0.02 . 1 . . . . A 115 PHE HB3 . 34589 1 635 . 1 . 1 115 115 PHE HD1 H 1 7.12 0.02 . 3 . . . . A 115 PHE HD1 . 34589 1 636 . 1 . 1 115 115 PHE HD2 H 1 7.12 0.02 . 3 . . . . A 115 PHE HD2 . 34589 1 637 . 1 . 1 115 115 PHE HE1 H 1 7.15 0.02 . 3 . . . . A 115 PHE HE1 . 34589 1 638 . 1 . 1 115 115 PHE HE2 H 1 7.15 0.02 . 3 . . . . A 115 PHE HE2 . 34589 1 639 . 1 . 1 115 115 PHE HZ H 1 6.86 0.02 . 1 . . . . A 115 PHE HZ . 34589 1 640 . 1 . 1 115 115 PHE C C 13 174.50 0.05 . 1 . . . . A 115 PHE C . 34589 1 641 . 1 . 1 115 115 PHE CA C 13 58.42 0.05 . 1 . . . . A 115 PHE CA . 34589 1 642 . 1 . 1 115 115 PHE CB C 13 40.54 0.05 . 1 . . . . A 115 PHE CB . 34589 1 643 . 1 . 1 115 115 PHE N N 15 116.82 0.05 . 1 . . . . A 115 PHE N . 34589 1 644 . 1 . 1 116 116 LYS H H 1 9.00 0.02 . 1 . . . . A 116 LYS H . 34589 1 645 . 1 . 1 116 116 LYS C C 13 174.20 0.05 . 1 . . . . A 116 LYS C . 34589 1 646 . 1 . 1 116 116 LYS CA C 13 57.22 0.05 . 1 . . . . A 116 LYS CA . 34589 1 647 . 1 . 1 116 116 LYS CB C 13 33.78 0.05 . 1 . . . . A 116 LYS CB . 34589 1 648 . 1 . 1 116 116 LYS N N 15 119.18 0.05 . 1 . . . . A 116 LYS N . 34589 1 649 . 1 . 1 117 117 GLU H H 1 7.83 0.02 . 1 . . . . A 117 GLU H . 34589 1 650 . 1 . 1 117 117 GLU C C 13 174.10 0.05 . 1 . . . . A 117 GLU C . 34589 1 651 . 1 . 1 117 117 GLU CA C 13 55.04 0.05 . 1 . . . . A 117 GLU CA . 34589 1 652 . 1 . 1 117 117 GLU CB C 13 30.80 0.05 . 1 . . . . A 117 GLU CB . 34589 1 653 . 1 . 1 117 117 GLU N N 15 119.56 0.05 . 1 . . . . A 117 GLU N . 34589 1 654 . 1 . 1 118 118 TRP H H 1 8.63 0.02 . 1 . . . . A 118 TRP H . 34589 1 655 . 1 . 1 118 118 TRP HE1 H 1 9.99 0.02 . 1 . . . . A 118 TRP HE1 . 34589 1 656 . 1 . 1 118 118 TRP C C 13 175.90 0.05 . 1 . . . . A 118 TRP C . 34589 1 657 . 1 . 1 118 118 TRP CA C 13 55.60 0.05 . 1 . . . . A 118 TRP CA . 34589 1 658 . 1 . 1 118 118 TRP CB C 13 29.79 0.05 . 1 . . . . A 118 TRP CB . 34589 1 659 . 1 . 1 118 118 TRP N N 15 126.34 0.05 . 1 . . . . A 118 TRP N . 34589 1 660 . 1 . 1 118 118 TRP NE1 N 15 130.10 0.05 . 1 . . . . A 118 TRP NE1 . 34589 1 661 . 1 . 1 119 119 LYS H H 1 9.12 0.02 . 1 . . . . A 119 LYS H . 34589 1 662 . 1 . 1 119 119 LYS C C 13 175.40 0.05 . 1 . . . . A 119 LYS C . 34589 1 663 . 1 . 1 119 119 LYS CA C 13 54.88 0.05 . 1 . . . . A 119 LYS CA . 34589 1 664 . 1 . 1 119 119 LYS CB C 13 33.82 0.05 . 1 . . . . A 119 LYS CB . 34589 1 665 . 1 . 1 119 119 LYS N N 15 124.98 0.05 . 1 . . . . A 119 LYS N . 34589 1 666 . 1 . 1 120 120 SER H H 1 8.17 0.02 . 1 . . . . A 120 SER H . 34589 1 667 . 1 . 1 120 120 SER C C 13 172.20 0.05 . 1 . . . . A 120 SER C . 34589 1 668 . 1 . 1 120 120 SER CA C 13 57.74 0.05 . 1 . . . . A 120 SER CA . 34589 1 669 . 1 . 1 120 120 SER CB C 13 64.19 0.05 . 1 . . . . A 120 SER CB . 34589 1 670 . 1 . 1 120 120 SER N N 15 120.95 0.05 . 1 . . . . A 120 SER N . 34589 1 671 . 1 . 1 121 121 ARG H H 1 8.32 0.02 . 1 . . . . A 121 ARG H . 34589 1 672 . 1 . 1 121 121 ARG C C 13 174.80 0.05 . 1 . . . . A 121 ARG C . 34589 1 673 . 1 . 1 121 121 ARG CA C 13 54.08 0.05 . 1 . . . . A 121 ARG CA . 34589 1 674 . 1 . 1 121 121 ARG N N 15 120.23 0.05 . 1 . . . . A 121 ARG N . 34589 1 675 . 1 . 1 122 122 GLY H H 1 9.54 0.02 . 1 . . . . A 122 GLY H . 34589 1 676 . 1 . 1 122 122 GLY C C 13 172.00 0.05 . 1 . . . . A 122 GLY C . 34589 1 677 . 1 . 1 122 122 GLY CA C 13 45.94 0.05 . 1 . . . . A 122 GLY CA . 34589 1 678 . 1 . 1 122 122 GLY N N 15 109.59 0.05 . 1 . . . . A 122 GLY N . 34589 1 679 . 1 . 1 123 123 GLY H H 1 9.10 0.02 . 1 . . . . A 123 GLY H . 34589 1 680 . 1 . 1 123 123 GLY C C 13 170.50 0.05 . 1 . . . . A 123 GLY C . 34589 1 681 . 1 . 1 123 123 GLY CA C 13 45.50 0.05 . 1 . . . . A 123 GLY CA . 34589 1 682 . 1 . 1 123 123 GLY N N 15 107.24 0.05 . 1 . . . . A 123 GLY N . 34589 1 683 . 1 . 1 124 124 ALA H H 1 8.09 0.02 . 1 . . . . A 124 ALA H . 34589 1 684 . 1 . 1 124 124 ALA HB1 H 1 1.32 0.02 . 1 . . . . A 124 ALA HB1 . 34589 1 685 . 1 . 1 124 124 ALA HB2 H 1 1.32 0.02 . 1 . . . . A 124 ALA HB2 . 34589 1 686 . 1 . 1 124 124 ALA HB3 H 1 1.32 0.02 . 1 . . . . A 124 ALA HB3 . 34589 1 687 . 1 . 1 124 124 ALA C C 13 175.30 0.05 . 1 . . . . A 124 ALA C . 34589 1 688 . 1 . 1 124 124 ALA CA C 13 49.21 0.05 . 1 . . . . A 124 ALA CA . 34589 1 689 . 1 . 1 124 124 ALA CB C 13 23.13 0.05 . 1 . . . . A 124 ALA CB . 34589 1 690 . 1 . 1 124 124 ALA N N 15 120.94 0.05 . 1 . . . . A 124 ALA N . 34589 1 691 . 1 . 1 125 125 GLU H H 1 8.61 0.02 . 1 . . . . A 125 GLU H . 34589 1 692 . 1 . 1 125 125 GLU C C 13 174.60 0.05 . 1 . . . . A 125 GLU C . 34589 1 693 . 1 . 1 125 125 GLU CA C 13 54.15 0.05 . 1 . . . . A 125 GLU CA . 34589 1 694 . 1 . 1 125 125 GLU CB C 13 33.68 0.05 . 1 . . . . A 125 GLU CB . 34589 1 695 . 1 . 1 125 125 GLU N N 15 116.07 0.05 . 1 . . . . A 125 GLU N . 34589 1 696 . 1 . 1 126 126 PHE H H 1 9.39 0.02 . 1 . . . . A 126 PHE H . 34589 1 697 . 1 . 1 126 126 PHE HB2 H 1 2.99 0.02 . 1 . . . . A 126 PHE HB2 . 34589 1 698 . 1 . 1 126 126 PHE HB3 H 1 2.99 0.02 . 1 . . . . A 126 PHE HB3 . 34589 1 699 . 1 . 1 126 126 PHE HD1 H 1 7.14 0.02 . 3 . . . . A 126 PHE HD1 . 34589 1 700 . 1 . 1 126 126 PHE HD2 H 1 7.14 0.02 . 3 . . . . A 126 PHE HD2 . 34589 1 701 . 1 . 1 126 126 PHE C C 13 174.70 0.05 . 1 . . . . A 126 PHE C . 34589 1 702 . 1 . 1 126 126 PHE CA C 13 56.75 0.05 . 1 . . . . A 126 PHE CA . 34589 1 703 . 1 . 1 126 126 PHE CB C 13 42.50 0.05 . 1 . . . . A 126 PHE CB . 34589 1 704 . 1 . 1 126 126 PHE N N 15 122.57 0.05 . 1 . . . . A 126 PHE N . 34589 1 705 . 1 . 1 127 127 SER H H 1 8.90 0.02 . 1 . . . . A 127 SER H . 34589 1 706 . 1 . 1 127 127 SER C C 13 172.30 0.05 . 1 . . . . A 127 SER C . 34589 1 707 . 1 . 1 127 127 SER CA C 13 56.40 0.05 . 1 . . . . A 127 SER CA . 34589 1 708 . 1 . 1 127 127 SER CB C 13 65.42 0.05 . 1 . . . . A 127 SER CB . 34589 1 709 . 1 . 1 127 127 SER N N 15 116.36 0.05 . 1 . . . . A 127 SER N . 34589 1 710 . 1 . 1 128 128 TRP H H 1 9.40 0.02 . 1 . . . . A 128 TRP H . 34589 1 711 . 1 . 1 128 128 TRP HE1 H 1 10.22 0.02 . 1 . . . . A 128 TRP HE1 . 34589 1 712 . 1 . 1 128 128 TRP C C 13 174.10 0.05 . 1 . . . . A 128 TRP C . 34589 1 713 . 1 . 1 128 128 TRP CA C 13 54.06 0.05 . 1 . . . . A 128 TRP CA . 34589 1 714 . 1 . 1 128 128 TRP CB C 13 32.11 0.05 . 1 . . . . A 128 TRP CB . 34589 1 715 . 1 . 1 128 128 TRP N N 15 126.36 0.05 . 1 . . . . A 128 TRP N . 34589 1 716 . 1 . 1 128 128 TRP NE1 N 15 129.13 0.05 . 1 . . . . A 128 TRP NE1 . 34589 1 717 . 1 . 1 129 129 ASN H H 1 8.83 0.02 . 1 . . . . A 129 ASN H . 34589 1 718 . 1 . 1 129 129 ASN CA C 13 52.49 0.05 . 1 . . . . A 129 ASN CA . 34589 1 719 . 1 . 1 129 129 ASN CB C 13 39.11 0.05 . 1 . . . . A 129 ASN CB . 34589 1 720 . 1 . 1 129 129 ASN N N 15 126.95 0.05 . 1 . . . . A 129 ASN N . 34589 1 721 . 1 . 1 130 130 VAL HG21 H 1 0.82 0.02 . 1 . . . . A 130 VAL HG21 . 34589 1 722 . 1 . 1 130 130 VAL HG22 H 1 0.82 0.02 . 1 . . . . A 130 VAL HG22 . 34589 1 723 . 1 . 1 130 130 VAL HG23 H 1 0.82 0.02 . 1 . . . . A 130 VAL HG23 . 34589 1 724 . 1 . 1 130 130 VAL CG2 C 13 21.72 0.05 . 1 . . . . A 130 VAL CG2 . 34589 1 725 . 1 . 1 135 135 LYS C C 13 176.20 0.05 . 1 . . . . A 135 LYS C . 34589 1 726 . 1 . 1 135 135 LYS CA C 13 57.13 0.05 . 1 . . . . A 135 LYS CA . 34589 1 727 . 1 . 1 136 136 ASP H H 1 8.32 0.02 . 1 . . . . A 136 ASP H . 34589 1 728 . 1 . 1 136 136 ASP C C 13 175.10 0.05 . 1 . . . . A 136 ASP C . 34589 1 729 . 1 . 1 136 136 ASP CA C 13 54.78 0.05 . 1 . . . . A 136 ASP CA . 34589 1 730 . 1 . 1 136 136 ASP CB C 13 39.56 0.05 . 1 . . . . A 136 ASP CB . 34589 1 731 . 1 . 1 136 136 ASP N N 15 118.77 0.05 . 1 . . . . A 136 ASP N . 34589 1 732 . 1 . 1 137 137 GLN H H 1 7.73 0.02 . 1 . . . . A 137 GLN H . 34589 1 733 . 1 . 1 137 137 GLN C C 13 174.00 0.05 . 1 . . . . A 137 GLN C . 34589 1 734 . 1 . 1 137 137 GLN CA C 13 54.60 0.05 . 1 . . . . A 137 GLN CA . 34589 1 735 . 1 . 1 137 137 GLN CB C 13 30.13 0.05 . 1 . . . . A 137 GLN CB . 34589 1 736 . 1 . 1 137 137 GLN N N 15 118.74 0.05 . 1 . . . . A 137 GLN N . 34589 1 737 . 1 . 1 138 138 ASP H H 1 8.49 0.02 . 1 . . . . A 138 ASP H . 34589 1 738 . 1 . 1 138 138 ASP C C 13 175.00 0.05 . 1 . . . . A 138 ASP C . 34589 1 739 . 1 . 1 138 138 ASP CA C 13 53.14 0.05 . 1 . . . . A 138 ASP CA . 34589 1 740 . 1 . 1 138 138 ASP CB C 13 41.54 0.05 . 1 . . . . A 138 ASP CB . 34589 1 741 . 1 . 1 138 138 ASP N N 15 124.89 0.05 . 1 . . . . A 138 ASP N . 34589 1 742 . 1 . 1 139 139 VAL H H 1 8.34 0.02 . 1 . . . . A 139 VAL H . 34589 1 743 . 1 . 1 139 139 VAL HG21 H 1 0.71 0.02 . 1 . . . . A 139 VAL HG21 . 34589 1 744 . 1 . 1 139 139 VAL HG22 H 1 0.71 0.02 . 1 . . . . A 139 VAL HG22 . 34589 1 745 . 1 . 1 139 139 VAL HG23 H 1 0.71 0.02 . 1 . . . . A 139 VAL HG23 . 34589 1 746 . 1 . 1 139 139 VAL C C 13 174.50 0.05 . 1 . . . . A 139 VAL C . 34589 1 747 . 1 . 1 139 139 VAL CA C 13 60.10 0.05 . 1 . . . . A 139 VAL CA . 34589 1 748 . 1 . 1 139 139 VAL CB C 13 33.82 0.05 . 1 . . . . A 139 VAL CB . 34589 1 749 . 1 . 1 139 139 VAL CG2 C 13 20.74 0.05 . 1 . . . . A 139 VAL CG2 . 34589 1 750 . 1 . 1 139 139 VAL N N 15 123.26 0.05 . 1 . . . . A 139 VAL N . 34589 1 751 . 1 . 1 140 140 ARG H H 1 9.07 0.02 . 1 . . . . A 140 ARG H . 34589 1 752 . 1 . 1 140 140 ARG C C 13 174.60 0.05 . 1 . . . . A 140 ARG C . 34589 1 753 . 1 . 1 140 140 ARG CA C 13 54.15 0.05 . 1 . . . . A 140 ARG CA . 34589 1 754 . 1 . 1 140 140 ARG CB C 13 33.37 0.05 . 1 . . . . A 140 ARG CB . 34589 1 755 . 1 . 1 140 140 ARG N N 15 126.66 0.05 . 1 . . . . A 140 ARG N . 34589 1 756 . 1 . 1 141 141 LEU H H 1 8.91 0.02 . 1 . . . . A 141 LEU H . 34589 1 757 . 1 . 1 141 141 LEU HD21 H 1 0.94 0.02 . 1 . . . . A 141 LEU HD21 . 34589 1 758 . 1 . 1 141 141 LEU HD22 H 1 0.94 0.02 . 1 . . . . A 141 LEU HD22 . 34589 1 759 . 1 . 1 141 141 LEU HD23 H 1 0.94 0.02 . 1 . . . . A 141 LEU HD23 . 34589 1 760 . 1 . 1 141 141 LEU C C 13 174.90 0.05 . 1 . . . . A 141 LEU C . 34589 1 761 . 1 . 1 141 141 LEU CA C 13 53.17 0.05 . 1 . . . . A 141 LEU CA . 34589 1 762 . 1 . 1 141 141 LEU CB C 13 44.82 0.05 . 1 . . . . A 141 LEU CB . 34589 1 763 . 1 . 1 141 141 LEU CD2 C 13 24.87 0.05 . 1 . . . . A 141 LEU CD2 . 34589 1 764 . 1 . 1 141 141 LEU N N 15 127.55 0.05 . 1 . . . . A 141 LEU N . 34589 1 765 . 1 . 1 142 142 ARG H H 1 9.19 0.02 . 1 . . . . A 142 ARG H . 34589 1 766 . 1 . 1 142 142 ARG C C 13 175.00 0.05 . 1 . . . . A 142 ARG C . 34589 1 767 . 1 . 1 142 142 ARG CA C 13 54.22 0.05 . 1 . . . . A 142 ARG CA . 34589 1 768 . 1 . 1 142 142 ARG CB C 13 33.65 0.05 . 1 . . . . A 142 ARG CB . 34589 1 769 . 1 . 1 142 142 ARG N N 15 124.19 0.05 . 1 . . . . A 142 ARG N . 34589 1 770 . 1 . 1 143 143 ILE H H 1 8.72 0.02 . 1 . . . . A 143 ILE H . 34589 1 771 . 1 . 1 143 143 ILE HD11 H 1 0.86 0.02 . 1 . . . . A 143 ILE HD11 . 34589 1 772 . 1 . 1 143 143 ILE HD12 H 1 0.86 0.02 . 1 . . . . A 143 ILE HD12 . 34589 1 773 . 1 . 1 143 143 ILE HD13 H 1 0.86 0.02 . 1 . . . . A 143 ILE HD13 . 34589 1 774 . 1 . 1 143 143 ILE C C 13 174.00 0.05 . 1 . . . . A 143 ILE C . 34589 1 775 . 1 . 1 143 143 ILE CA C 13 58.93 0.05 . 1 . . . . A 143 ILE CA . 34589 1 776 . 1 . 1 143 143 ILE CB C 13 40.45 0.05 . 1 . . . . A 143 ILE CB . 34589 1 777 . 1 . 1 143 143 ILE CD1 C 13 12.61 0.05 . 1 . . . . A 143 ILE CD1 . 34589 1 778 . 1 . 1 143 143 ILE N N 15 122.02 0.05 . 1 . . . . A 143 ILE N . 34589 1 779 . 1 . 1 144 144 GLY H H 1 8.35 0.02 . 1 . . . . A 144 GLY H . 34589 1 780 . 1 . 1 144 144 GLY C C 13 170.80 0.05 . 1 . . . . A 144 GLY C . 34589 1 781 . 1 . 1 144 144 GLY CA C 13 43.96 0.05 . 1 . . . . A 144 GLY CA . 34589 1 782 . 1 . 1 144 144 GLY N N 15 112.79 0.05 . 1 . . . . A 144 GLY N . 34589 1 783 . 1 . 1 145 145 TYR H H 1 8.67 0.02 . 1 . . . . A 145 TYR H . 34589 1 784 . 1 . 1 145 145 TYR HB2 H 1 2.72 0.02 . 2 . . . . A 145 TYR HB2 . 34589 1 785 . 1 . 1 145 145 TYR HB3 H 1 2.72 0.02 . 2 . . . . A 145 TYR HB3 . 34589 1 786 . 1 . 1 145 145 TYR HD1 H 1 6.67 0.02 . 3 . . . . A 145 TYR HD1 . 34589 1 787 . 1 . 1 145 145 TYR HD2 H 1 6.67 0.02 . 3 . . . . A 145 TYR HD2 . 34589 1 788 . 1 . 1 145 145 TYR HE1 H 1 6.47 0.02 . 3 . . . . A 145 TYR HE1 . 34589 1 789 . 1 . 1 145 145 TYR HE2 H 1 6.47 0.02 . 3 . . . . A 145 TYR HE2 . 34589 1 790 . 1 . 1 145 145 TYR C C 13 172.80 0.05 . 1 . . . . A 145 TYR C . 34589 1 791 . 1 . 1 145 145 TYR CA C 13 56.85 0.05 . 1 . . . . A 145 TYR CA . 34589 1 792 . 1 . 1 145 145 TYR CB C 13 42.39 0.05 . 1 . . . . A 145 TYR CB . 34589 1 793 . 1 . 1 145 145 TYR N N 15 118.01 0.05 . 1 . . . . A 145 TYR N . 34589 1 794 . 1 . 1 146 146 GLU H H 1 8.07 0.02 . 1 . . . . A 146 GLU H . 34589 1 795 . 1 . 1 146 146 GLU C C 13 175.50 0.05 . 1 . . . . A 146 GLU C . 34589 1 796 . 1 . 1 146 146 GLU CA C 13 56.28 0.05 . 1 . . . . A 146 GLU CA . 34589 1 797 . 1 . 1 146 146 GLU CB C 13 30.03 0.05 . 1 . . . . A 146 GLU CB . 34589 1 798 . 1 . 1 146 146 GLU N N 15 133.98 0.05 . 1 . . . . A 146 GLU N . 34589 1 799 . 1 . 1 147 147 ALA H H 1 7.63 0.02 . 1 . . . . A 147 ALA H . 34589 1 800 . 1 . 1 147 147 ALA HB1 H 1 1.34 0.02 . 1 . . . . A 147 ALA HB1 . 34589 1 801 . 1 . 1 147 147 ALA HB2 H 1 1.34 0.02 . 1 . . . . A 147 ALA HB2 . 34589 1 802 . 1 . 1 147 147 ALA HB3 H 1 1.34 0.02 . 1 . . . . A 147 ALA HB3 . 34589 1 803 . 1 . 1 147 147 ALA C C 13 176.70 0.05 . 1 . . . . A 147 ALA C . 34589 1 804 . 1 . 1 147 147 ALA CA C 13 50.78 0.05 . 1 . . . . A 147 ALA CA . 34589 1 805 . 1 . 1 147 147 ALA CB C 13 21.13 0.05 . 1 . . . . A 147 ALA CB . 34589 1 806 . 1 . 1 147 147 ALA N N 15 120.29 0.05 . 1 . . . . A 147 ALA N . 34589 1 807 . 1 . 1 148 148 PHE H H 1 8.85 0.02 . 1 . . . . A 148 PHE H . 34589 1 808 . 1 . 1 148 148 PHE HB2 H 1 2.99 0.02 . 2 . . . . A 148 PHE HB2 . 34589 1 809 . 1 . 1 148 148 PHE HB3 H 1 2.99 0.02 . 2 . . . . A 148 PHE HB3 . 34589 1 810 . 1 . 1 148 148 PHE HD1 H 1 6.69 0.02 . 3 . . . . A 148 PHE HD1 . 34589 1 811 . 1 . 1 148 148 PHE HD2 H 1 6.69 0.02 . 3 . . . . A 148 PHE HD2 . 34589 1 812 . 1 . 1 148 148 PHE CA C 13 54.76 0.05 . 1 . . . . A 148 PHE CA . 34589 1 813 . 1 . 1 148 148 PHE CB C 13 41.19 0.05 . 1 . . . . A 148 PHE CB . 34589 1 814 . 1 . 1 148 148 PHE N N 15 123.01 0.05 . 1 . . . . A 148 PHE N . 34589 1 815 . 1 . 1 151 151 VAL HG21 H 1 1.01 0.02 . 1 . . . . A 151 VAL HG21 . 34589 1 816 . 1 . 1 151 151 VAL HG22 H 1 1.01 0.02 . 1 . . . . A 151 VAL HG22 . 34589 1 817 . 1 . 1 151 151 VAL HG23 H 1 1.01 0.02 . 1 . . . . A 151 VAL HG23 . 34589 1 818 . 1 . 1 151 151 VAL CG2 C 13 20.61 0.05 . 1 . . . . A 151 VAL CG2 . 34589 1 819 . 1 . 1 152 152 PRO CA C 13 60.99 0.05 . 1 . . . . A 152 PRO CA . 34589 1 820 . 1 . 1 153 153 TYR H H 1 8.66 0.02 . 1 . . . . A 153 TYR H . 34589 1 821 . 1 . 1 153 153 TYR HB2 H 1 3.21 0.02 . 2 . . . . A 153 TYR HB2 . 34589 1 822 . 1 . 1 153 153 TYR HB3 H 1 2.95 0.02 . 2 . . . . A 153 TYR HB3 . 34589 1 823 . 1 . 1 153 153 TYR HD1 H 1 6.41 0.02 . 3 . . . . A 153 TYR HD1 . 34589 1 824 . 1 . 1 153 153 TYR HD2 H 1 6.41 0.02 . 3 . . . . A 153 TYR HD2 . 34589 1 825 . 1 . 1 153 153 TYR HE1 H 1 6.82 0.02 . 3 . . . . A 153 TYR HE1 . 34589 1 826 . 1 . 1 153 153 TYR HE2 H 1 6.82 0.02 . 3 . . . . A 153 TYR HE2 . 34589 1 827 . 1 . 1 153 153 TYR C C 13 171.80 0.05 . 1 . . . . A 153 TYR C . 34589 1 828 . 1 . 1 153 153 TYR CA C 13 56.45 0.05 . 1 . . . . A 153 TYR CA . 34589 1 829 . 1 . 1 153 153 TYR CB C 13 41.23 0.05 . 1 . . . . A 153 TYR CB . 34589 1 830 . 1 . 1 153 153 TYR N N 15 118.67 0.05 . 1 . . . . A 153 TYR N . 34589 1 831 . 1 . 1 154 154 LEU H H 1 9.30 0.02 . 1 . . . . A 154 LEU H . 34589 1 832 . 1 . 1 154 154 LEU HD21 H 1 0.90 0.02 . 1 . . . . A 154 LEU HD21 . 34589 1 833 . 1 . 1 154 154 LEU HD22 H 1 0.90 0.02 . 1 . . . . A 154 LEU HD22 . 34589 1 834 . 1 . 1 154 154 LEU HD23 H 1 0.90 0.02 . 1 . . . . A 154 LEU HD23 . 34589 1 835 . 1 . 1 154 154 LEU C C 13 175.20 0.05 . 1 . . . . A 154 LEU C . 34589 1 836 . 1 . 1 154 154 LEU CA C 13 53.12 0.05 . 1 . . . . A 154 LEU CA . 34589 1 837 . 1 . 1 154 154 LEU CB C 13 46.67 0.05 . 1 . . . . A 154 LEU CB . 34589 1 838 . 1 . 1 154 154 LEU CD2 C 13 25.74 0.05 . 1 . . . . A 154 LEU CD2 . 34589 1 839 . 1 . 1 154 154 LEU N N 15 119.53 0.05 . 1 . . . . A 154 LEU N . 34589 1 840 . 1 . 1 155 155 GLN H H 1 9.40 0.02 . 1 . . . . A 155 GLN H . 34589 1 841 . 1 . 1 155 155 GLN C C 13 174.50 0.05 . 1 . . . . A 155 GLN C . 34589 1 842 . 1 . 1 155 155 GLN CA C 13 54.53 0.05 . 1 . . . . A 155 GLN CA . 34589 1 843 . 1 . 1 155 155 GLN CB C 13 34.33 0.05 . 1 . . . . A 155 GLN CB . 34589 1 844 . 1 . 1 155 155 GLN N N 15 124.70 0.05 . 1 . . . . A 155 GLN N . 34589 1 845 . 1 . 1 156 156 ILE H H 1 9.26 0.02 . 1 . . . . A 156 ILE H . 34589 1 846 . 1 . 1 156 156 ILE HD11 H 1 0.85 0.02 . 1 . . . . A 156 ILE HD11 . 34589 1 847 . 1 . 1 156 156 ILE HD12 H 1 0.85 0.02 . 1 . . . . A 156 ILE HD12 . 34589 1 848 . 1 . 1 156 156 ILE HD13 H 1 0.85 0.02 . 1 . . . . A 156 ILE HD13 . 34589 1 849 . 1 . 1 156 156 ILE C C 13 173.60 0.05 . 1 . . . . A 156 ILE C . 34589 1 850 . 1 . 1 156 156 ILE CA C 13 59.61 0.05 . 1 . . . . A 156 ILE CA . 34589 1 851 . 1 . 1 156 156 ILE CB C 13 40.99 0.05 . 1 . . . . A 156 ILE CB . 34589 1 852 . 1 . 1 156 156 ILE CD1 C 13 13.01 0.05 . 1 . . . . A 156 ILE CD1 . 34589 1 853 . 1 . 1 156 156 ILE N N 15 126.43 0.05 . 1 . . . . A 156 ILE N . 34589 1 854 . 1 . 1 157 157 ARG H H 1 9.09 0.02 . 1 . . . . A 157 ARG H . 34589 1 855 . 1 . 1 157 157 ARG C C 13 174.80 0.05 . 1 . . . . A 157 ARG C . 34589 1 856 . 1 . 1 157 157 ARG CA C 13 53.85 0.05 . 1 . . . . A 157 ARG CA . 34589 1 857 . 1 . 1 157 157 ARG CB C 13 33.07 0.05 . 1 . . . . A 157 ARG CB . 34589 1 858 . 1 . 1 157 157 ARG N N 15 128.85 0.05 . 1 . . . . A 157 ARG N . 34589 1 859 . 1 . 1 158 158 GLU H H 1 9.10 0.02 . 1 . . . . A 158 GLU H . 34589 1 860 . 1 . 1 158 158 GLU C C 13 176.10 0.05 . 1 . . . . A 158 GLU C . 34589 1 861 . 1 . 1 158 158 GLU CA C 13 54.88 0.05 . 1 . . . . A 158 GLU CA . 34589 1 862 . 1 . 1 158 158 GLU CB C 13 30.40 0.05 . 1 . . . . A 158 GLU CB . 34589 1 863 . 1 . 1 158 158 GLU N N 15 126.50 0.05 . 1 . . . . A 158 GLU N . 34589 1 864 . 1 . 1 159 159 ASN H H 1 7.86 0.02 . 1 . . . . A 159 ASN H . 34589 1 865 . 1 . 1 159 159 ASN CA C 13 53.59 0.05 . 1 . . . . A 159 ASN CA . 34589 1 866 . 1 . 1 159 159 ASN N N 15 121.08 0.05 . 1 . . . . A 159 ASN N . 34589 1 867 . 1 . 1 160 160 ASN C C 13 174.60 0.05 . 1 . . . . A 160 ASN C . 34589 1 868 . 1 . 1 160 160 ASN CA C 13 54.71 0.05 . 1 . . . . A 160 ASN CA . 34589 1 869 . 1 . 1 161 161 TRP H H 1 8.79 0.02 . 1 . . . . A 161 TRP H . 34589 1 870 . 1 . 1 161 161 TRP HE1 H 1 10.03 0.02 . 1 . . . . A 161 TRP HE1 . 34589 1 871 . 1 . 1 161 161 TRP C C 13 175.90 0.05 . 1 . . . . A 161 TRP C . 34589 1 872 . 1 . 1 161 161 TRP CA C 13 56.59 0.05 . 1 . . . . A 161 TRP CA . 34589 1 873 . 1 . 1 161 161 TRP CB C 13 31.15 0.05 . 1 . . . . A 161 TRP CB . 34589 1 874 . 1 . 1 161 161 TRP N N 15 123.23 0.05 . 1 . . . . A 161 TRP N . 34589 1 875 . 1 . 1 161 161 TRP NE1 N 15 130.121 0.05 . 1 . . . . A 161 TRP NE1 . 34589 1 876 . 1 . 1 162 162 THR H H 1 9.17 0.02 . 1 . . . . A 162 THR H . 34589 1 877 . 1 . 1 162 162 THR C C 13 172.60 0.05 . 1 . . . . A 162 THR C . 34589 1 878 . 1 . 1 162 162 THR CA C 13 62.36 0.05 . 1 . . . . A 162 THR CA . 34589 1 879 . 1 . 1 162 162 THR CB C 13 70.38 0.05 . 1 . . . . A 162 THR CB . 34589 1 880 . 1 . 1 162 162 THR N N 15 117.34 0.05 . 1 . . . . A 162 THR N . 34589 1 881 . 1 . 1 163 163 PHE H H 1 9.52 0.02 . 1 . . . . A 163 PHE H . 34589 1 882 . 1 . 1 163 163 PHE HB2 H 1 3.06 0.02 . 1 . . . . A 163 PHE HB2 . 34589 1 883 . 1 . 1 163 163 PHE HB3 H 1 3.06 0.02 . 1 . . . . A 163 PHE HB3 . 34589 1 884 . 1 . 1 163 163 PHE HD1 H 1 7.13 0.02 . 3 . . . . A 163 PHE HD1 . 34589 1 885 . 1 . 1 163 163 PHE HD2 H 1 7.13 0.02 . 3 . . . . A 163 PHE HD2 . 34589 1 886 . 1 . 1 163 163 PHE HE1 H 1 7.21 0.02 . 3 . . . . A 163 PHE HE1 . 34589 1 887 . 1 . 1 163 163 PHE HE2 H 1 7.21 0.02 . 3 . . . . A 163 PHE HE2 . 34589 1 888 . 1 . 1 163 163 PHE HZ H 1 6.88 0.02 . 1 . . . . A 163 PHE HZ . 34589 1 889 . 1 . 1 163 163 PHE C C 13 173.00 0.05 . 1 . . . . A 163 PHE C . 34589 1 890 . 1 . 1 163 163 PHE CA C 13 55.96 0.05 . 1 . . . . A 163 PHE CA . 34589 1 891 . 1 . 1 163 163 PHE CB C 13 41.85 0.05 . 1 . . . . A 163 PHE CB . 34589 1 892 . 1 . 1 163 163 PHE N N 15 126.49 0.05 . 1 . . . . A 163 PHE N . 34589 1 893 . 1 . 1 164 164 ASN H H 1 8.71 0.02 . 1 . . . . A 164 ASN H . 34589 1 894 . 1 . 1 164 164 ASN C C 13 173.40 0.05 . 1 . . . . A 164 ASN C . 34589 1 895 . 1 . 1 164 164 ASN CA C 13 52.11 0.05 . 1 . . . . A 164 ASN CA . 34589 1 896 . 1 . 1 164 164 ASN CB C 13 42.46 0.05 . 1 . . . . A 164 ASN CB . 34589 1 897 . 1 . 1 164 164 ASN N N 15 124.89 0.05 . 1 . . . . A 164 ASN N . 34589 1 898 . 1 . 1 165 165 ALA H H 1 8.62 0.02 . 1 . . . . A 165 ALA H . 34589 1 899 . 1 . 1 165 165 ALA HB1 H 1 1.45 0.02 . 1 . . . . A 165 ALA HB1 . 34589 1 900 . 1 . 1 165 165 ALA HB2 H 1 1.45 0.02 . 1 . . . . A 165 ALA HB2 . 34589 1 901 . 1 . 1 165 165 ALA HB3 H 1 1.45 0.02 . 1 . . . . A 165 ALA HB3 . 34589 1 902 . 1 . 1 165 165 ALA C C 13 175.60 0.05 . 1 . . . . A 165 ALA C . 34589 1 903 . 1 . 1 165 165 ALA CA C 13 51.53 0.05 . 1 . . . . A 165 ALA CA . 34589 1 904 . 1 . 1 165 165 ALA CB C 13 22.88 0.05 . 1 . . . . A 165 ALA CB . 34589 1 905 . 1 . 1 165 165 ALA N N 15 119.72 0.05 . 1 . . . . A 165 ALA N . 34589 1 906 . 1 . 1 166 166 ASP H H 1 8.55 0.02 . 1 . . . . A 166 ASP H . 34589 1 907 . 1 . 1 166 166 ASP C C 13 177.60 0.05 . 1 . . . . A 166 ASP C . 34589 1 908 . 1 . 1 166 166 ASP CA C 13 51.90 0.05 . 1 . . . . A 166 ASP CA . 34589 1 909 . 1 . 1 166 166 ASP CB C 13 44.62 0.05 . 1 . . . . A 166 ASP CB . 34589 1 910 . 1 . 1 166 166 ASP N N 15 117.67 0.05 . 1 . . . . A 166 ASP N . 34589 1 911 . 1 . 1 167 167 TYR H H 1 7.96 0.02 . 1 . . . . A 167 TYR H . 34589 1 912 . 1 . 1 167 167 TYR HB2 H 1 3.20 0.02 . 1 . . . . A 167 TYR HB2 . 34589 1 913 . 1 . 1 167 167 TYR HB3 H 1 3.20 0.02 . 1 . . . . A 167 TYR HB3 . 34589 1 914 . 1 . 1 167 167 TYR HD1 H 1 7.14 0.02 . 3 . . . . A 167 TYR HD1 . 34589 1 915 . 1 . 1 167 167 TYR HD2 H 1 7.14 0.02 . 3 . . . . A 167 TYR HD2 . 34589 1 916 . 1 . 1 167 167 TYR HE1 H 1 6.83 0.02 . 3 . . . . A 167 TYR HE1 . 34589 1 917 . 1 . 1 167 167 TYR HE2 H 1 6.83 0.02 . 3 . . . . A 167 TYR HE2 . 34589 1 918 . 1 . 1 167 167 TYR C C 13 175.70 0.05 . 1 . . . . A 167 TYR C . 34589 1 919 . 1 . 1 167 167 TYR CA C 13 59.52 0.05 . 1 . . . . A 167 TYR CA . 34589 1 920 . 1 . 1 167 167 TYR CB C 13 40.52 0.05 . 1 . . . . A 167 TYR CB . 34589 1 921 . 1 . 1 167 167 TYR N N 15 116.70 0.05 . 1 . . . . A 167 TYR N . 34589 1 922 . 1 . 1 168 168 LYS H H 1 8.21 0.02 . 1 . . . . A 168 LYS H . 34589 1 923 . 1 . 1 168 168 LYS C C 13 177.30 0.05 . 1 . . . . A 168 LYS C . 34589 1 924 . 1 . 1 168 168 LYS CA C 13 56.05 0.05 . 1 . . . . A 168 LYS CA . 34589 1 925 . 1 . 1 168 168 LYS N N 15 115.26 0.05 . 1 . . . . A 168 LYS N . 34589 1 926 . 1 . 1 169 169 GLY H H 1 8.41 0.02 . 1 . . . . A 169 GLY H . 34589 1 927 . 1 . 1 169 169 GLY C C 13 173.80 0.05 . 1 . . . . A 169 GLY C . 34589 1 928 . 1 . 1 169 169 GLY CA C 13 44.82 0.05 . 1 . . . . A 169 GLY CA . 34589 1 929 . 1 . 1 169 169 GLY N N 15 107.76 0.05 . 1 . . . . A 169 GLY N . 34589 1 930 . 1 . 1 170 170 ARG H H 1 7.96 0.02 . 1 . . . . A 170 ARG H . 34589 1 931 . 1 . 1 170 170 ARG C C 13 176.20 0.05 . 1 . . . . A 170 ARG C . 34589 1 932 . 1 . 1 170 170 ARG CA C 13 56.19 0.05 . 1 . . . . A 170 ARG CA . 34589 1 933 . 1 . 1 170 170 ARG CB C 13 28.76 0.05 . 1 . . . . A 170 ARG CB . 34589 1 934 . 1 . 1 170 170 ARG N N 15 121.96 0.05 . 1 . . . . A 170 ARG N . 34589 1 935 . 1 . 1 171 171 TRP H H 1 8.07 0.02 . 1 . . . . A 171 TRP H . 34589 1 936 . 1 . 1 171 171 TRP HE1 H 1 10.72 0.02 . 1 . . . . A 171 TRP HE1 . 34589 1 937 . 1 . 1 171 171 TRP C C 13 174.80 0.05 . 1 . . . . A 171 TRP C . 34589 1 938 . 1 . 1 171 171 TRP CA C 13 54.74 0.05 . 1 . . . . A 171 TRP CA . 34589 1 939 . 1 . 1 171 171 TRP CB C 13 31.09 0.05 . 1 . . . . A 171 TRP CB . 34589 1 940 . 1 . 1 171 171 TRP N N 15 119.14 0.05 . 1 . . . . A 171 TRP N . 34589 1 941 . 1 . 1 171 171 TRP NE1 N 15 130.92 0.05 . 1 . . . . A 171 TRP NE1 . 34589 1 942 . 1 . 1 172 172 ASN H H 1 9.08 0.02 . 1 . . . . A 172 ASN H . 34589 1 943 . 1 . 1 172 172 ASN C C 13 172.20 0.05 . 1 . . . . A 172 ASN C . 34589 1 944 . 1 . 1 172 172 ASN CA C 13 53.82 0.05 . 1 . . . . A 172 ASN CA . 34589 1 945 . 1 . 1 172 172 ASN CB C 13 41.85 0.05 . 1 . . . . A 172 ASN CB . 34589 1 946 . 1 . 1 172 172 ASN N N 15 114.80 0.05 . 1 . . . . A 172 ASN N . 34589 1 947 . 1 . 1 173 173 VAL H H 1 9.30 0.02 . 1 . . . . A 173 VAL H . 34589 1 948 . 1 . 1 173 173 VAL HG21 H 1 1.52 0.02 . 1 . . . . A 173 VAL HG21 . 34589 1 949 . 1 . 1 173 173 VAL HG22 H 1 1.52 0.02 . 1 . . . . A 173 VAL HG22 . 34589 1 950 . 1 . 1 173 173 VAL HG23 H 1 1.52 0.02 . 1 . . . . A 173 VAL HG23 . 34589 1 951 . 1 . 1 173 173 VAL C C 13 173.30 0.05 . 1 . . . . A 173 VAL C . 34589 1 952 . 1 . 1 173 173 VAL CA C 13 59.59 0.05 . 1 . . . . A 173 VAL CA . 34589 1 953 . 1 . 1 173 173 VAL CB C 13 35.08 0.05 . 1 . . . . A 173 VAL CB . 34589 1 954 . 1 . 1 173 173 VAL CG2 C 13 21.45 0.05 . 1 . . . . A 173 VAL CG2 . 34589 1 955 . 1 . 1 173 173 VAL N N 15 118.80 0.05 . 1 . . . . A 173 VAL N . 34589 1 956 . 1 . 1 174 174 ARG H H 1 9.19 0.02 . 1 . . . . A 174 ARG H . 34589 1 957 . 1 . 1 174 174 ARG C C 13 173.40 0.05 . 1 . . . . A 174 ARG C . 34589 1 958 . 1 . 1 174 174 ARG CA C 13 53.33 0.05 . 1 . . . . A 174 ARG CA . 34589 1 959 . 1 . 1 174 174 ARG CB C 13 33.55 0.05 . 1 . . . . A 174 ARG CB . 34589 1 960 . 1 . 1 174 174 ARG N N 15 126.06 0.05 . 1 . . . . A 174 ARG N . 34589 1 961 . 1 . 1 175 175 TYR H H 1 8.93 0.02 . 1 . . . . A 175 TYR H . 34589 1 962 . 1 . 1 175 175 TYR HB2 H 1 2.93 0.02 . 2 . . . . A 175 TYR HB2 . 34589 1 963 . 1 . 1 175 175 TYR HB3 H 1 2.80 0.02 . 2 . . . . A 175 TYR HB3 . 34589 1 964 . 1 . 1 175 175 TYR C C 13 174.40 0.05 . 1 . . . . A 175 TYR C . 34589 1 965 . 1 . 1 175 175 TYR CA C 13 55.82 0.05 . 1 . . . . A 175 TYR CA . 34589 1 966 . 1 . 1 175 175 TYR CB C 13 40.99 0.05 . 1 . . . . A 175 TYR CB . 34589 1 967 . 1 . 1 175 175 TYR N N 15 124.81 0.05 . 1 . . . . A 175 TYR N . 34589 1 968 . 1 . 1 176 176 ASP H H 1 8.13 0.02 . 1 . . . . A 176 ASP H . 34589 1 969 . 1 . 1 176 176 ASP C C 13 174.10 0.05 . 1 . . . . A 176 ASP C . 34589 1 970 . 1 . 1 176 176 ASP CA C 13 53.73 0.05 . 1 . . . . A 176 ASP CA . 34589 1 971 . 1 . 1 176 176 ASP CB C 13 41.68 0.05 . 1 . . . . A 176 ASP CB . 34589 1 972 . 1 . 1 176 176 ASP N N 15 128.41 0.05 . 1 . . . . A 176 ASP N . 34589 1 973 . 1 . 1 177 177 LEU H H 1 8.22 0.02 . 1 . . . . A 177 LEU H . 34589 1 974 . 1 . 1 177 177 LEU HD21 H 1 0.76 0.02 . 1 . . . . A 177 LEU HD21 . 34589 1 975 . 1 . 1 177 177 LEU HD22 H 1 0.76 0.02 . 1 . . . . A 177 LEU HD22 . 34589 1 976 . 1 . 1 177 177 LEU HD23 H 1 0.76 0.02 . 1 . . . . A 177 LEU HD23 . 34589 1 977 . 1 . 1 177 177 LEU CA C 13 53.70 0.05 . 1 . . . . A 177 LEU CA . 34589 1 978 . 1 . 1 177 177 LEU CB C 13 41.85 0.05 . 1 . . . . A 177 LEU CB . 34589 1 979 . 1 . 1 177 177 LEU CD2 C 13 23.87 0.05 . 1 . . . . A 177 LEU CD2 . 34589 1 980 . 1 . 1 177 177 LEU N N 15 122.65 0.05 . 1 . . . . A 177 LEU N . 34589 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 34589 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N TROSY HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 E2N-H 125.381 8.794 T3N-H 105.308 7.703 S4N-H 117.839 9.291 R6N-H 119.963 9.054 Y7N-H 124.976 9.060 G8N-H 113.955 7.599 G9N-H 107.137 6.682 A13N-H 120.969 8.246 K15N-H 127.765 9.257 I16N-H 120.923 8.608 H17N-H 127.157 9.428 A18N-H 122.935 8.876 K19N-H 119.112 8.399 E20N-H 123.666 8.910 K21N-H 125.283 9.511 L22N-H 122.870 9.331 R23N-H 128.351 9.171 I24N-H 125.000 8.414 D25N-H 117.154 8.226 T28N-H 116.613 7.495 F29N-H 124.544 9.377 F30N-H 122.869 9.521 Q31N-H 127.352 9.242 V32N-H 122.836 8.649 R33N-H 123.719 8.700 G34N-H 106.868 8.482 G35N-H 107.643 8.241 L36N-H 123.512 9.064 D37N-H 124.828 8.122 T38N-H 116.358 8.030 K39N-H 118.302 7.989 T40N-H 119.322 8.569 G41N-H 111.233 8.361 Q42N-H 115.310 7.605 S44N-H 118.531 9.010 S45N-H 113.617 7.698 G46N-H 106.680 8.684 S47N-H 114.772 9.201 A48N-H 123.324 8.627 L49N-H 121.542 8.735 I50N-H 122.526 9.164 R51N-H 125.725 9.046 H52N-H 124.520 9.396 F53N-H 128.650 8.356 Y54N-H 123.982 8.396 S58N-H 117.541 7.869 A59N-H 119.998 7.058 T60N-H 116.316 8.953 L61N-H 126.378 9.013 G62N-H 111.068 9.224 V63N-H 118.976 8.651 G64N-H 111.886 8.904 V65N-H 116.403 8.838 R66N-H 121.861 9.225 Y67N-H 123.199 8.909 D68N-H 125.810 8.040 K69N-H 123.123 8.052 Q70N-H 124.059 8.538 D71N-H 117.919 8.213 S72N-H 116.054 8.132 V73N-H 121.097 7.983 G74N-H 112.207 8.326 V75N-H 119.472 7.812 R76N-H 123.570 8.194 Y77N-H 120.220 7.902 A78N-H 125.270 8.099 K79N-H 119.916 8.095 N80N-H 119.177 8.252 D81N-H 120.964 8.228 K82N-H 119.645 7.926 L83N-H 123.252 8.321 R84N-H 121.527 8.660 Y85N-H 121.782 8.814 T86N-H 115.569 8.739 V87N-H 123.093 8.485 L88N-H 125.702 8.972 A89N-H 124.143 9.099 K90N-H 117.626 8.688 K91N-H 122.503 8.752 T92N-H 122.425 8.431 F93N-H 126.118 10.020 V95N-H 121.330 8.644 T96N-H 105.622 7.303 G99N-H 107.903 7.892 L100N-H 119.702 8.231 V101N-H 117.510 7.246 N102N-H 124.624 9.079 F103N-H 121.876 9.182 K104N-H 127.427 8.882 I105N-H 120.202 8.541 K106N-H 122.544 8.542 G107N-H 107.014 8.824 G108N-H 107.880 8.880 C109N-H 116.419 8.720 D110N-H 122.701 8.818 V111N-H 121.073 8.953 D112N-H 123.761 7.779 Q113N-H 114.810 8.017 D114N-H 116.339 7.481 F115N-H 116.819 7.971 K116N-H 119.177 9.000 E117N-H 119.555 7.828 W118N-H 126.339 8.633 W118Ne-He 130.064 10.017 K119N-H 124.980 9.118 S120N-H 120.952 8.169 R121N-H 120.226 8.317 G122N-H 109.590 9.545 G123N-H 107.242 9.095 A124N-H 120.943 8.091 E125N-H 116.074 8.606 F126N-H 122.571 9.395 S127N-H 116.359 8.896 W128N-H 126.357 9.397 W128Ne-He 129.103 10.214 N129N-H 126.949 8.829 D136N-H 118.771 8.323 Q137N-H 118.739 7.730 D138N-H 124.888 8.493 V139N-H 123.256 8.343 R140N-H 126.658 9.070 L141N-H 127.554 8.908 R142N-H 124.191 9.194 I143N-H 122.016 8.721 G144N-H 112.786 8.346 Y145N-H 118.013 8.668 E146N-H 133.980 8.073 A147N-H 120.290 7.634 F148N-H 123.009 8.847 Q150N-H 121.075 9.708 V151N-H 115.569 7.582 Y153N-H 118.674 8.659 L154N-H 119.528 9.301 Q155N-H 124.702 9.403 I156N-H 126.426 9.258 R157N-H 128.851 9.091 E158N-H 126.505 9.099 W161N-H 123.235 8.795 T162N-H 117.337 9.171 F163N-H 126.494 9.522 N164N-H 124.888 8.707 A165N-H 119.721 8.619 D166N-H 117.670 8.546 Y167N-H 116.703 7.962 K168N-H 115.263 8.211 G169N-H 107.759 8.412 R170N-H 121.958 7.959 W171N-H 119.143 8.067 W171Ne-He 130.893 10.714 N172N-H 114.801 9.080 V173N-H 118.804 9.300 R174N-H 126.059 9.190 Y175N-H 124.807 8.933 D176N-H 128.407 8.130 L177N-H 122.711 8.326 L178N-H 121.084 7.856 E179N-H 121.887 8.501 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . . 14 ppm . . . 4.7 . . 34589 1 2 . . N 15 N . folded 31 ppm . . . 119.5 . . 34589 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 34589 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 11 _Spectral_peak_list.Experiment_name '2D 1H-13C HMQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 L5CD2-MD2 23.659 0.912 A13CB-MB 19.349 1.102 L14CD2-MD2 25.036 0.933 I16CD1-MD1 12.994 0.742 A18CB-MB 22.342 1.261 L22CD2-MD2 24.898 0.962 I24CD1-MD1 12.727 0.774 V32CG2-MG2 19.794 0.773 L36CD2-MD2 24.354 0.639 A48CB-MB 20.571 1.324 L49CD2-MD2 24.259 0.484 I50CD1-MD1 12.300 0.825 A59CB-MB 23.111 1.382 L61CD2-MD2 24.355 0.991 V63CG2-MG2 19.899 1.015 V65CG2-MG2 20.033 0.940 V65'CG2-MG2 19.690 0.942 V73CG2-MG2 19.582 0.861 V75CG-MG2 19.383 0.815 A78CB-MB 18.590 1.315 L83CD2-MD2 24.105 0.659 V87CG2-MG2 20.356 1.055 L88CD2-MD2 24.469 0.484 A89CB-MB 22.241 1.303 V95CG2-MG2 21.666 1.088 L100CD2-MD2 22.677 0.704 V101CG2-MG2 20.824 0.872 I105CD1-MD1 12.775 0.947 V111CG2-MG2 19.538 -0.195 A124CB-MB 23.125 1.324 V130CG2-MG2 21.721 0.818 V139CG2-MG2 20.743 0.710 L141CD2-MD2 24.865 0.938 I143CD1-MD1 12.609 0.860 A147CB-MB 21.131 1.340 V151CG2-MG2 20.605 1.006 L154CD2-MD2 25.744 0.895 I156CD1-MD1 13.010 0.845 A165CB-MB 22.875 1.448 V173CG2-MG2 21.449 1.522 L177CD2-MD2 23.873 0.866 L178CD2-MD2 22.765 0.763 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 C-methyl . . 14 ppm . . . 4.7 . . 34589 2 2 . . C 13 C-methyl . . 23 ppm . . . 20.5 . . 34589 2 stop_ save_