data_50131 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50131 _Entry.Title ; Backbone 1H and 15N chemical shift assignments of KL Sup35NM ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-12-15 _Entry.Accession_date 2019-12-15 _Entry.Last_release_date 2019-12-16 _Entry.Original_release_date 2019-12-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _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 Toshinobu Shida . . . . 50131 2 Yuji Kamatari . O. . . 50131 3 Yoshiki Yamaguchi . . . . 50131 4 Kazuo Kuwata . . . . 50131 5 Motomasa Tanaka . . . . 50131 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'RIKEN Center for Brain Science - Tanaka Lab' . 50131 2 . 'Gifu University - Kuwata Lab' . 50131 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50131 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 259 50131 '1H chemical shifts' 259 50131 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 . . 2020-06-23 2019-12-15 update BMRB 'update entry citation' 50131 1 . . 2020-03-30 2019-12-15 original author 'original release' 50131 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 12016 'Solution SC Sup35NM' 50131 BMRB 50132 'Chimeric SC Sup35NM, 5MT-A' 50131 BMRB 50133 'Chimeric SC Sup35NM, 5MT-B' 50131 BMRB 50134 'Chimeric SC Sup35NM, 4MT-A' 50131 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50131 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32284601 _Citation.DOI 10.1038/s41589-020-0516-y _Citation.Full_citation . _Citation.Title ; Short Disordered Protein Segment Regulates Cross-Species Transmission of a Yeast Prion ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Chem. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 756 _Citation.Page_last 765 _Citation.Year 2020 _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 Toshinobu Shida . . . . 50131 1 2 Yuji Kamatari . O. . . 50131 1 3 Takao Yoda . . . . 50131 1 4 Yoshiki Yamaguchi . . . . 50131 1 5 Michael Feig . . . . 50131 1 6 Yumiko Ohhashi . . . . 50131 1 7 Yuji Sugita . . . . 50131 1 8 Kazuo Kuwata . . . . 50131 1 9 Motomasa Tanaka . . . . 50131 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50131 _Assembly.ID 1 _Assembly.Name 'KL Sup35NM' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'KL Sup35NM' 1 $entity_1 . . yes 'intrinsically disordered' no no . . . 50131 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50131 _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 ; MSDQQNQDQGQGQGYNQYNQ YGQYNQYYNQQGYQGYNGQQ GAPQGYQAYQAYGQQPQGAY QGYNPQQAQGYQPYQGYNAQ QQGYNAQQGGHNNNYNKNYN NKNSYNNYNKQGYQGAQGYN AQQPTGYAAPAQSSSQGMTL KDFQNQQGSTNAAKPKPKLK LASSSGIKLVGAKKPVAPKT EKTDESKEATKTTDDNEEAQ SELPKIDDLKISEAEKPKTK ENTPSADDTSSEKTTSAKAD TSTGGANSVDALIKEQEDEV DEEVVKDHHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 274 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment Sup35NM _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB AF206288 . 'KL Sup35' . . . . . . . . . . . . . . 50131 1 2 yes GB AB039749 . 'KL Sup35' . . . . . . . . . . . . . . 50131 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Translation termination factor' 50131 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 1 MET . 50131 1 2 2 SER . 50131 1 3 3 ASP . 50131 1 4 4 GLN . 50131 1 5 5 GLN . 50131 1 6 6 ASN . 50131 1 7 7 GLN . 50131 1 8 8 ASP . 50131 1 9 9 GLN . 50131 1 10 10 GLY . 50131 1 11 11 GLN . 50131 1 12 12 GLY . 50131 1 13 13 GLN . 50131 1 14 14 GLY . 50131 1 15 15 TYR . 50131 1 16 16 ASN . 50131 1 17 17 GLN . 50131 1 18 18 TYR . 50131 1 19 19 ASN . 50131 1 20 20 GLN . 50131 1 21 21 TYR . 50131 1 22 22 GLY . 50131 1 23 23 GLN . 50131 1 24 24 TYR . 50131 1 25 25 ASN . 50131 1 26 26 GLN . 50131 1 27 27 TYR . 50131 1 28 28 TYR . 50131 1 29 29 ASN . 50131 1 30 30 GLN . 50131 1 31 31 GLN . 50131 1 32 32 GLY . 50131 1 33 33 TYR . 50131 1 34 34 GLN . 50131 1 35 35 GLY . 50131 1 36 36 TYR . 50131 1 37 37 ASN . 50131 1 38 38 GLY . 50131 1 39 39 GLN . 50131 1 40 40 GLN . 50131 1 41 41 GLY . 50131 1 42 42 ALA . 50131 1 43 43 PRO . 50131 1 44 44 GLN . 50131 1 45 45 GLY . 50131 1 46 46 TYR . 50131 1 47 47 GLN . 50131 1 48 48 ALA . 50131 1 49 49 TYR . 50131 1 50 50 GLN . 50131 1 51 51 ALA . 50131 1 52 52 TYR . 50131 1 53 53 GLY . 50131 1 54 54 GLN . 50131 1 55 55 GLN . 50131 1 56 56 PRO . 50131 1 57 57 GLN . 50131 1 58 58 GLY . 50131 1 59 59 ALA . 50131 1 60 60 TYR . 50131 1 61 61 GLN . 50131 1 62 62 GLY . 50131 1 63 63 TYR . 50131 1 64 64 ASN . 50131 1 65 65 PRO . 50131 1 66 66 GLN . 50131 1 67 67 GLN . 50131 1 68 68 ALA . 50131 1 69 69 GLN . 50131 1 70 70 GLY . 50131 1 71 71 TYR . 50131 1 72 72 GLN . 50131 1 73 73 PRO . 50131 1 74 74 TYR . 50131 1 75 75 GLN . 50131 1 76 76 GLY . 50131 1 77 77 TYR . 50131 1 78 78 ASN . 50131 1 79 79 ALA . 50131 1 80 80 GLN . 50131 1 81 81 GLN . 50131 1 82 82 GLN . 50131 1 83 83 GLY . 50131 1 84 84 TYR . 50131 1 85 85 ASN . 50131 1 86 86 ALA . 50131 1 87 87 GLN . 50131 1 88 88 GLN . 50131 1 89 89 GLY . 50131 1 90 90 GLY . 50131 1 91 91 HIS . 50131 1 92 92 ASN . 50131 1 93 93 ASN . 50131 1 94 94 ASN . 50131 1 95 95 TYR . 50131 1 96 96 ASN . 50131 1 97 97 LYS . 50131 1 98 98 ASN . 50131 1 99 99 TYR . 50131 1 100 100 ASN . 50131 1 101 101 ASN . 50131 1 102 102 LYS . 50131 1 103 103 ASN . 50131 1 104 104 SER . 50131 1 105 105 TYR . 50131 1 106 106 ASN . 50131 1 107 107 ASN . 50131 1 108 108 TYR . 50131 1 109 109 ASN . 50131 1 110 110 LYS . 50131 1 111 111 GLN . 50131 1 112 112 GLY . 50131 1 113 113 TYR . 50131 1 114 114 GLN . 50131 1 115 115 GLY . 50131 1 116 116 ALA . 50131 1 117 117 GLN . 50131 1 118 118 GLY . 50131 1 119 119 TYR . 50131 1 120 120 ASN . 50131 1 121 121 ALA . 50131 1 122 122 GLN . 50131 1 123 123 GLN . 50131 1 124 124 PRO . 50131 1 125 125 THR . 50131 1 126 126 GLY . 50131 1 127 127 TYR . 50131 1 128 128 ALA . 50131 1 129 129 ALA . 50131 1 130 130 PRO . 50131 1 131 131 ALA . 50131 1 132 132 GLN . 50131 1 133 133 SER . 50131 1 134 134 SER . 50131 1 135 135 SER . 50131 1 136 136 GLN . 50131 1 137 137 GLY . 50131 1 138 138 MET . 50131 1 139 139 THR . 50131 1 140 140 LEU . 50131 1 141 141 LYS . 50131 1 142 142 ASP . 50131 1 143 143 PHE . 50131 1 144 144 GLN . 50131 1 145 145 ASN . 50131 1 146 146 GLN . 50131 1 147 147 GLN . 50131 1 148 148 GLY . 50131 1 149 149 SER . 50131 1 150 150 THR . 50131 1 151 151 ASN . 50131 1 152 152 ALA . 50131 1 153 153 ALA . 50131 1 154 154 LYS . 50131 1 155 155 PRO . 50131 1 156 156 LYS . 50131 1 157 157 PRO . 50131 1 158 158 LYS . 50131 1 159 159 LEU . 50131 1 160 160 LYS . 50131 1 161 161 LEU . 50131 1 162 162 ALA . 50131 1 163 163 SER . 50131 1 164 164 SER . 50131 1 165 165 SER . 50131 1 166 166 GLY . 50131 1 167 167 ILE . 50131 1 168 168 LYS . 50131 1 169 169 LEU . 50131 1 170 170 VAL . 50131 1 171 171 GLY . 50131 1 172 172 ALA . 50131 1 173 173 LYS . 50131 1 174 174 LYS . 50131 1 175 175 PRO . 50131 1 176 176 VAL . 50131 1 177 177 ALA . 50131 1 178 178 PRO . 50131 1 179 179 LYS . 50131 1 180 180 THR . 50131 1 181 181 GLU . 50131 1 182 182 LYS . 50131 1 183 183 THR . 50131 1 184 184 ASP . 50131 1 185 185 GLU . 50131 1 186 186 SER . 50131 1 187 187 LYS . 50131 1 188 188 GLU . 50131 1 189 189 ALA . 50131 1 190 190 THR . 50131 1 191 191 LYS . 50131 1 192 192 THR . 50131 1 193 193 THR . 50131 1 194 194 ASP . 50131 1 195 195 ASP . 50131 1 196 196 ASN . 50131 1 197 197 GLU . 50131 1 198 198 GLU . 50131 1 199 199 ALA . 50131 1 200 200 GLN . 50131 1 201 201 SER . 50131 1 202 202 GLU . 50131 1 203 203 LEU . 50131 1 204 204 PRO . 50131 1 205 205 LYS . 50131 1 206 206 ILE . 50131 1 207 207 ASP . 50131 1 208 208 ASP . 50131 1 209 209 LEU . 50131 1 210 210 LYS . 50131 1 211 211 ILE . 50131 1 212 212 SER . 50131 1 213 213 GLU . 50131 1 214 214 ALA . 50131 1 215 215 GLU . 50131 1 216 216 LYS . 50131 1 217 217 PRO . 50131 1 218 218 LYS . 50131 1 219 219 THR . 50131 1 220 220 LYS . 50131 1 221 221 GLU . 50131 1 222 222 ASN . 50131 1 223 223 THR . 50131 1 224 224 PRO . 50131 1 225 225 SER . 50131 1 226 226 ALA . 50131 1 227 227 ASP . 50131 1 228 228 ASP . 50131 1 229 229 THR . 50131 1 230 230 SER . 50131 1 231 231 SER . 50131 1 232 232 GLU . 50131 1 233 233 LYS . 50131 1 234 234 THR . 50131 1 235 235 THR . 50131 1 236 236 SER . 50131 1 237 237 ALA . 50131 1 238 238 LYS . 50131 1 239 239 ALA . 50131 1 240 240 ASP . 50131 1 241 241 THR . 50131 1 242 242 SER . 50131 1 243 243 THR . 50131 1 244 244 GLY . 50131 1 245 245 GLY . 50131 1 246 246 ALA . 50131 1 247 247 ASN . 50131 1 248 248 SER . 50131 1 249 249 VAL . 50131 1 250 250 ASP . 50131 1 251 251 ALA . 50131 1 252 252 LEU . 50131 1 253 253 ILE . 50131 1 254 254 LYS . 50131 1 255 255 GLU . 50131 1 256 256 GLN . 50131 1 257 257 GLU . 50131 1 258 258 ASP . 50131 1 259 259 GLU . 50131 1 260 260 VAL . 50131 1 261 261 ASP . 50131 1 262 262 GLU . 50131 1 263 263 GLU . 50131 1 264 264 VAL . 50131 1 265 265 VAL . 50131 1 266 266 LYS . 50131 1 267 267 ASP . 50131 1 268 268 HIS . 50131 1 269 269 HIS . 50131 1 270 270 HIS . 50131 1 271 271 HIS . 50131 1 272 272 HIS . 50131 1 273 273 HIS . 50131 1 274 274 HIS . 50131 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 50131 1 . SER 2 2 50131 1 . ASP 3 3 50131 1 . GLN 4 4 50131 1 . GLN 5 5 50131 1 . ASN 6 6 50131 1 . GLN 7 7 50131 1 . ASP 8 8 50131 1 . GLN 9 9 50131 1 . GLY 10 10 50131 1 . GLN 11 11 50131 1 . GLY 12 12 50131 1 . GLN 13 13 50131 1 . GLY 14 14 50131 1 . TYR 15 15 50131 1 . ASN 16 16 50131 1 . GLN 17 17 50131 1 . TYR 18 18 50131 1 . ASN 19 19 50131 1 . GLN 20 20 50131 1 . TYR 21 21 50131 1 . GLY 22 22 50131 1 . GLN 23 23 50131 1 . TYR 24 24 50131 1 . ASN 25 25 50131 1 . GLN 26 26 50131 1 . TYR 27 27 50131 1 . TYR 28 28 50131 1 . ASN 29 29 50131 1 . GLN 30 30 50131 1 . GLN 31 31 50131 1 . GLY 32 32 50131 1 . TYR 33 33 50131 1 . GLN 34 34 50131 1 . GLY 35 35 50131 1 . TYR 36 36 50131 1 . ASN 37 37 50131 1 . GLY 38 38 50131 1 . GLN 39 39 50131 1 . GLN 40 40 50131 1 . GLY 41 41 50131 1 . ALA 42 42 50131 1 . PRO 43 43 50131 1 . GLN 44 44 50131 1 . GLY 45 45 50131 1 . TYR 46 46 50131 1 . GLN 47 47 50131 1 . ALA 48 48 50131 1 . TYR 49 49 50131 1 . GLN 50 50 50131 1 . ALA 51 51 50131 1 . TYR 52 52 50131 1 . GLY 53 53 50131 1 . GLN 54 54 50131 1 . GLN 55 55 50131 1 . PRO 56 56 50131 1 . GLN 57 57 50131 1 . GLY 58 58 50131 1 . ALA 59 59 50131 1 . TYR 60 60 50131 1 . GLN 61 61 50131 1 . GLY 62 62 50131 1 . TYR 63 63 50131 1 . ASN 64 64 50131 1 . PRO 65 65 50131 1 . GLN 66 66 50131 1 . GLN 67 67 50131 1 . ALA 68 68 50131 1 . GLN 69 69 50131 1 . GLY 70 70 50131 1 . TYR 71 71 50131 1 . GLN 72 72 50131 1 . PRO 73 73 50131 1 . TYR 74 74 50131 1 . GLN 75 75 50131 1 . GLY 76 76 50131 1 . TYR 77 77 50131 1 . ASN 78 78 50131 1 . ALA 79 79 50131 1 . GLN 80 80 50131 1 . GLN 81 81 50131 1 . GLN 82 82 50131 1 . GLY 83 83 50131 1 . TYR 84 84 50131 1 . ASN 85 85 50131 1 . ALA 86 86 50131 1 . GLN 87 87 50131 1 . GLN 88 88 50131 1 . GLY 89 89 50131 1 . GLY 90 90 50131 1 . HIS 91 91 50131 1 . ASN 92 92 50131 1 . ASN 93 93 50131 1 . ASN 94 94 50131 1 . TYR 95 95 50131 1 . ASN 96 96 50131 1 . LYS 97 97 50131 1 . ASN 98 98 50131 1 . TYR 99 99 50131 1 . ASN 100 100 50131 1 . ASN 101 101 50131 1 . LYS 102 102 50131 1 . ASN 103 103 50131 1 . SER 104 104 50131 1 . TYR 105 105 50131 1 . ASN 106 106 50131 1 . ASN 107 107 50131 1 . TYR 108 108 50131 1 . ASN 109 109 50131 1 . LYS 110 110 50131 1 . GLN 111 111 50131 1 . GLY 112 112 50131 1 . TYR 113 113 50131 1 . GLN 114 114 50131 1 . GLY 115 115 50131 1 . ALA 116 116 50131 1 . GLN 117 117 50131 1 . GLY 118 118 50131 1 . TYR 119 119 50131 1 . ASN 120 120 50131 1 . ALA 121 121 50131 1 . GLN 122 122 50131 1 . GLN 123 123 50131 1 . PRO 124 124 50131 1 . THR 125 125 50131 1 . GLY 126 126 50131 1 . TYR 127 127 50131 1 . ALA 128 128 50131 1 . ALA 129 129 50131 1 . PRO 130 130 50131 1 . ALA 131 131 50131 1 . GLN 132 132 50131 1 . SER 133 133 50131 1 . SER 134 134 50131 1 . SER 135 135 50131 1 . GLN 136 136 50131 1 . GLY 137 137 50131 1 . MET 138 138 50131 1 . THR 139 139 50131 1 . LEU 140 140 50131 1 . LYS 141 141 50131 1 . ASP 142 142 50131 1 . PHE 143 143 50131 1 . GLN 144 144 50131 1 . ASN 145 145 50131 1 . GLN 146 146 50131 1 . GLN 147 147 50131 1 . GLY 148 148 50131 1 . SER 149 149 50131 1 . THR 150 150 50131 1 . ASN 151 151 50131 1 . ALA 152 152 50131 1 . ALA 153 153 50131 1 . LYS 154 154 50131 1 . PRO 155 155 50131 1 . LYS 156 156 50131 1 . PRO 157 157 50131 1 . LYS 158 158 50131 1 . LEU 159 159 50131 1 . LYS 160 160 50131 1 . LEU 161 161 50131 1 . ALA 162 162 50131 1 . SER 163 163 50131 1 . SER 164 164 50131 1 . SER 165 165 50131 1 . GLY 166 166 50131 1 . ILE 167 167 50131 1 . LYS 168 168 50131 1 . LEU 169 169 50131 1 . VAL 170 170 50131 1 . GLY 171 171 50131 1 . ALA 172 172 50131 1 . LYS 173 173 50131 1 . LYS 174 174 50131 1 . PRO 175 175 50131 1 . VAL 176 176 50131 1 . ALA 177 177 50131 1 . PRO 178 178 50131 1 . LYS 179 179 50131 1 . THR 180 180 50131 1 . GLU 181 181 50131 1 . LYS 182 182 50131 1 . THR 183 183 50131 1 . ASP 184 184 50131 1 . GLU 185 185 50131 1 . SER 186 186 50131 1 . LYS 187 187 50131 1 . GLU 188 188 50131 1 . ALA 189 189 50131 1 . THR 190 190 50131 1 . LYS 191 191 50131 1 . THR 192 192 50131 1 . THR 193 193 50131 1 . ASP 194 194 50131 1 . ASP 195 195 50131 1 . ASN 196 196 50131 1 . GLU 197 197 50131 1 . GLU 198 198 50131 1 . ALA 199 199 50131 1 . GLN 200 200 50131 1 . SER 201 201 50131 1 . GLU 202 202 50131 1 . LEU 203 203 50131 1 . PRO 204 204 50131 1 . LYS 205 205 50131 1 . ILE 206 206 50131 1 . ASP 207 207 50131 1 . ASP 208 208 50131 1 . LEU 209 209 50131 1 . LYS 210 210 50131 1 . ILE 211 211 50131 1 . SER 212 212 50131 1 . GLU 213 213 50131 1 . ALA 214 214 50131 1 . GLU 215 215 50131 1 . LYS 216 216 50131 1 . PRO 217 217 50131 1 . LYS 218 218 50131 1 . THR 219 219 50131 1 . LYS 220 220 50131 1 . GLU 221 221 50131 1 . ASN 222 222 50131 1 . THR 223 223 50131 1 . PRO 224 224 50131 1 . SER 225 225 50131 1 . ALA 226 226 50131 1 . ASP 227 227 50131 1 . ASP 228 228 50131 1 . THR 229 229 50131 1 . SER 230 230 50131 1 . SER 231 231 50131 1 . GLU 232 232 50131 1 . LYS 233 233 50131 1 . THR 234 234 50131 1 . THR 235 235 50131 1 . SER 236 236 50131 1 . ALA 237 237 50131 1 . LYS 238 238 50131 1 . ALA 239 239 50131 1 . ASP 240 240 50131 1 . THR 241 241 50131 1 . SER 242 242 50131 1 . THR 243 243 50131 1 . GLY 244 244 50131 1 . GLY 245 245 50131 1 . ALA 246 246 50131 1 . ASN 247 247 50131 1 . SER 248 248 50131 1 . VAL 249 249 50131 1 . ASP 250 250 50131 1 . ALA 251 251 50131 1 . LEU 252 252 50131 1 . ILE 253 253 50131 1 . LYS 254 254 50131 1 . GLU 255 255 50131 1 . GLN 256 256 50131 1 . GLU 257 257 50131 1 . ASP 258 258 50131 1 . GLU 259 259 50131 1 . VAL 260 260 50131 1 . ASP 261 261 50131 1 . GLU 262 262 50131 1 . GLU 263 263 50131 1 . VAL 264 264 50131 1 . VAL 265 265 50131 1 . LYS 266 266 50131 1 . ASP 267 267 50131 1 . HIS 268 268 50131 1 . HIS 269 269 50131 1 . HIS 270 270 50131 1 . HIS 271 271 50131 1 . HIS 272 272 50131 1 . HIS 273 273 50131 1 . HIS 274 274 50131 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50131 _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 . 28985 organism . 'Kluyveromyces lactis' 'budding yeasts' . . Eukaryota Fungi Kluyveromyces lactis . . . . . . . . . . . . . 50131 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50131 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta (DE3)' . . plasmid . . pET29b . . . 50131 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50131 _Sample.ID 1 _Sample.Name sample_1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KL Sup35NM' '[U-99% 15N]' . . 1 $entity_1 . . 60 . . uM . . . . 50131 1 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 50131 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 50131 1 4 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 50131 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50131 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_conditions_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 50131 1 pH 4.0 . pH 50131 1 pressure 1 . atm 50131 1 temperature 310.15 . K 50131 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50131 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.114 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard 'University of California, San Francisco' https://www.cgl.ucsf.edu/home/sparky/ 50131 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 50131 1 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 50131 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name spectrometer_1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50131 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50131 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 50131 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chemical_shift_reference_1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.000000000 . . . . . 50131 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 50131 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 50131 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50131 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50131 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 ASP H H 1 8.809 0.01 . 1 . . . . . 3 ASP H . 50131 1 2 . 1 . 1 3 3 ASP N N 15 121.327 0.1 . 1 . . . . . 3 ASP N . 50131 1 3 . 1 . 1 4 4 GLN H H 1 8.429 0.01 . 1 . . . . . 4 GLN H . 50131 1 4 . 1 . 1 4 4 GLN N N 15 120.628 0.1 . 1 . . . . . 4 GLN N . 50131 1 5 . 1 . 1 5 5 GLN H H 1 8.402 0.01 . 1 . . . . . 5 GLN H . 50131 1 6 . 1 . 1 5 5 GLN N N 15 120.927 0.1 . 1 . . . . . 5 GLN N . 50131 1 7 . 1 . 1 6 6 ASN H H 1 8.413 0.01 . 1 . . . . . 6 ASN H . 50131 1 8 . 1 . 1 6 6 ASN N N 15 119.484 0.1 . 1 . . . . . 6 ASN N . 50131 1 9 . 1 . 1 7 7 GLN H H 1 8.388 0.01 . 1 . . . . . 7 GLN H . 50131 1 10 . 1 . 1 7 7 GLN N N 15 120.543 0.1 . 1 . . . . . 7 GLN N . 50131 1 11 . 1 . 1 8 8 ASP H H 1 8.413 0.01 . 1 . . . . . 8 ASP H . 50131 1 12 . 1 . 1 8 8 ASP N N 15 120.448 0.1 . 1 . . . . . 8 ASP N . 50131 1 13 . 1 . 1 9 9 GLN H H 1 8.276 0.01 . 1 . . . . . 9 GLN H . 50131 1 14 . 1 . 1 9 9 GLN N N 15 120.383 0.1 . 1 . . . . . 9 GLN N . 50131 1 15 . 1 . 1 10 10 GLY H H 1 8.403 0.01 . 1 . . . . . 10 GLY H . 50131 1 16 . 1 . 1 10 10 GLY N N 15 109.418 0.1 . 1 . . . . . 10 GLY N . 50131 1 17 . 1 . 1 11 11 GLN H H 1 8.231 0.01 . 1 . . . . . 11 GLN H . 50131 1 18 . 1 . 1 11 11 GLN N N 15 119.635 0.1 . 1 . . . . . 11 GLN N . 50131 1 19 . 1 . 1 12 12 GLY H H 1 8.446 0.01 . 1 . . . . . 12 GLY H . 50131 1 20 . 1 . 1 12 12 GLY N N 15 109.728 0.1 . 1 . . . . . 12 GLY N . 50131 1 21 . 1 . 1 13 13 GLN H H 1 8.247 0.01 . 1 . . . . . 13 GLN H . 50131 1 22 . 1 . 1 13 13 GLN N N 15 119.616 0.1 . 1 . . . . . 13 GLN N . 50131 1 23 . 1 . 1 14 14 GLY H H 1 8.391 0.01 . 1 . . . . . 14 GLY H . 50131 1 24 . 1 . 1 14 14 GLY N N 15 109.505 0.1 . 1 . . . . . 14 GLY N . 50131 1 25 . 1 . 1 15 15 TYR H H 1 7.990 0.01 . 1 . . . . . 15 TYR H . 50131 1 26 . 1 . 1 15 15 TYR N N 15 120.028 0.1 . 1 . . . . . 15 TYR N . 50131 1 27 . 1 . 1 16 16 ASN H H 1 8.157 0.01 . 1 . . . . . 16 ASN H . 50131 1 28 . 1 . 1 16 16 ASN N N 15 120.102 0.1 . 1 . . . . . 16 ASN N . 50131 1 29 . 1 . 1 17 17 GLN H H 1 8.231 0.01 . 1 . . . . . 17 GLN H . 50131 1 30 . 1 . 1 17 17 GLN N N 15 120.167 0.1 . 1 . . . . . 17 GLN N . 50131 1 31 . 1 . 1 18 18 TYR H H 1 8.067 0.01 . 1 . . . . . 18 TYR H . 50131 1 32 . 1 . 1 18 18 TYR N N 15 119.871 0.1 . 1 . . . . . 18 TYR N . 50131 1 33 . 1 . 1 19 19 ASN H H 1 8.132 0.01 . 1 . . . . . 19 ASN H . 50131 1 34 . 1 . 1 19 19 ASN N N 15 119.687 0.1 . 1 . . . . . 19 ASN N . 50131 1 35 . 1 . 1 20 20 GLN H H 1 8.223 0.01 . 1 . . . . . 20 GLN H . 50131 1 36 . 1 . 1 20 20 GLN N N 15 120.117 0.1 . 1 . . . . . 20 GLN N . 50131 1 37 . 1 . 1 21 21 TYR H H 1 8.087 0.01 . 1 . . . . . 21 TYR H . 50131 1 38 . 1 . 1 21 21 TYR N N 15 119.801 0.1 . 1 . . . . . 21 TYR N . 50131 1 39 . 1 . 1 22 22 GLY H H 1 8.099 0.01 . 1 . . . . . 22 GLY H . 50131 1 40 . 1 . 1 22 22 GLY N N 15 109.557 0.1 . 1 . . . . . 22 GLY N . 50131 1 41 . 1 . 1 23 23 GLN H H 1 8.079 0.01 . 1 . . . . . 23 GLN H . 50131 1 42 . 1 . 1 23 23 GLN N N 15 119.525 0.1 . 1 . . . . . 23 GLN N . 50131 1 43 . 1 . 1 24 24 TYR H H 1 8.176 0.01 . 1 . . . . . 24 TYR H . 50131 1 44 . 1 . 1 24 24 TYR N N 15 120.528 0.1 . 1 . . . . . 24 TYR N . 50131 1 45 . 1 . 1 25 25 ASN H H 1 8.299 0.01 . 1 . . . . . 25 ASN H . 50131 1 46 . 1 . 1 25 25 ASN N N 15 120.559 0.1 . 1 . . . . . 25 ASN N . 50131 1 47 . 1 . 1 26 26 GLN H H 1 8.185 0.01 . 1 . . . . . 26 GLN H . 50131 1 48 . 1 . 1 26 26 GLN N N 15 120.152 0.1 . 1 . . . . . 26 GLN N . 50131 1 49 . 1 . 1 27 27 TYR H H 1 8.017 0.01 . 1 . . . . . 27 TYR H . 50131 1 50 . 1 . 1 27 27 TYR N N 15 119.794 0.1 . 1 . . . . . 27 TYR N . 50131 1 51 . 1 . 1 28 28 TYR H H 1 7.822 0.01 . 1 . . . . . 28 TYR H . 50131 1 52 . 1 . 1 28 28 TYR N N 15 120.415 0.1 . 1 . . . . . 28 TYR N . 50131 1 53 . 1 . 1 29 29 ASN H H 1 8.115 0.01 . 1 . . . . . 29 ASN H . 50131 1 54 . 1 . 1 29 29 ASN N N 15 119.933 0.1 . 1 . . . . . 29 ASN N . 50131 1 55 . 1 . 1 30 30 GLN H H 1 8.137 0.01 . 1 . . . . . 30 GLN H . 50131 1 56 . 1 . 1 30 30 GLN N N 15 120.201 0.1 . 1 . . . . . 30 GLN N . 50131 1 57 . 1 . 1 31 31 GLN H H 1 8.295 0.01 . 1 . . . . . 31 GLN H . 50131 1 58 . 1 . 1 31 31 GLN N N 15 120.215 0.1 . 1 . . . . . 31 GLN N . 50131 1 59 . 1 . 1 32 32 GLY H H 1 8.232 0.01 . 1 . . . . . 32 GLY H . 50131 1 60 . 1 . 1 32 32 GLY N N 15 109.262 0.1 . 1 . . . . . 32 GLY N . 50131 1 61 . 1 . 1 33 33 TYR H H 1 7.984 0.01 . 1 . . . . . 33 TYR H . 50131 1 62 . 1 . 1 33 33 TYR N N 15 120.184 0.1 . 1 . . . . . 33 TYR N . 50131 1 63 . 1 . 1 34 34 GLN H H 1 8.289 0.01 . 1 . . . . . 34 GLN H . 50131 1 64 . 1 . 1 34 34 GLN N N 15 122.621 0.1 . 1 . . . . . 34 GLN N . 50131 1 65 . 1 . 1 35 35 GLY H H 1 7.727 0.01 . 1 . . . . . 35 GLY H . 50131 1 66 . 1 . 1 35 35 GLY N N 15 108.820 0.1 . 1 . . . . . 35 GLY N . 50131 1 67 . 1 . 1 36 36 TYR H H 1 8.002 0.01 . 1 . . . . . 36 TYR H . 50131 1 68 . 1 . 1 36 36 TYR N N 15 120.028 0.1 . 1 . . . . . 36 TYR N . 50131 1 69 . 1 . 1 37 37 ASN H H 1 8.353 0.01 . 1 . . . . . 37 ASN H . 50131 1 70 . 1 . 1 37 37 ASN N N 15 121.566 0.1 . 1 . . . . . 37 ASN N . 50131 1 71 . 1 . 1 38 38 GLY H H 1 7.735 0.01 . 1 . . . . . 38 GLY H . 50131 1 72 . 1 . 1 38 38 GLY N N 15 108.421 0.1 . 1 . . . . . 38 GLY N . 50131 1 73 . 1 . 1 39 39 GLN H H 1 8.129 0.01 . 1 . . . . . 39 GLN H . 50131 1 74 . 1 . 1 39 39 GLN N N 15 119.553 0.1 . 1 . . . . . 39 GLN N . 50131 1 75 . 1 . 1 40 40 GLN H H 1 8.392 0.01 . 1 . . . . . 40 GLN H . 50131 1 76 . 1 . 1 40 40 GLN N N 15 121.187 0.1 . 1 . . . . . 40 GLN N . 50131 1 77 . 1 . 1 41 41 GLY H H 1 8.316 0.01 . 1 . . . . . 41 GLY H . 50131 1 78 . 1 . 1 41 41 GLY N N 15 109.988 0.1 . 1 . . . . . 41 GLY N . 50131 1 79 . 1 . 1 42 42 ALA H H 1 8.013 0.01 . 1 . . . . . 42 ALA H . 50131 1 80 . 1 . 1 42 42 ALA N N 15 124.473 0.1 . 1 . . . . . 42 ALA N . 50131 1 81 . 1 . 1 44 44 GLN H H 1 8.402 0.01 . 1 . . . . . 44 GLN H . 50131 1 82 . 1 . 1 44 44 GLN N N 15 120.004 0.1 . 1 . . . . . 44 GLN N . 50131 1 83 . 1 . 1 45 45 GLY H H 1 8.333 0.01 . 1 . . . . . 45 GLY H . 50131 1 84 . 1 . 1 45 45 GLY N N 15 109.732 0.1 . 1 . . . . . 45 GLY N . 50131 1 85 . 1 . 1 46 46 TYR H H 1 8.005 0.01 . 1 . . . . . 46 TYR H . 50131 1 86 . 1 . 1 46 46 TYR N N 15 120.223 0.1 . 1 . . . . . 46 TYR N . 50131 1 87 . 1 . 1 47 47 GLN H H 1 8.147 0.01 . 1 . . . . . 47 GLN H . 50131 1 88 . 1 . 1 47 47 GLN N N 15 122.192 0.1 . 1 . . . . . 47 GLN N . 50131 1 89 . 1 . 1 48 48 ALA H H 1 8.045 0.01 . 1 . . . . . 48 ALA H . 50131 1 90 . 1 . 1 48 48 ALA N N 15 124.409 0.1 . 1 . . . . . 48 ALA N . 50131 1 91 . 1 . 1 49 49 TYR H H 1 7.924 0.01 . 1 . . . . . 49 TYR H . 50131 1 92 . 1 . 1 49 49 TYR N N 15 118.481 0.1 . 1 . . . . . 49 TYR N . 50131 1 93 . 1 . 1 50 50 GLN H H 1 8.002 0.01 . 1 . . . . . 50 GLN H . 50131 1 94 . 1 . 1 50 50 GLN N N 15 121.755 0.1 . 1 . . . . . 50 GLN N . 50131 1 95 . 1 . 1 51 51 ALA H H 1 8.022 0.01 . 1 . . . . . 51 ALA H . 50131 1 96 . 1 . 1 51 51 ALA N N 15 124.505 0.1 . 1 . . . . . 51 ALA N . 50131 1 97 . 1 . 1 52 52 TYR H H 1 7.997 0.01 . 1 . . . . . 52 TYR H . 50131 1 98 . 1 . 1 52 52 TYR N N 15 118.825 0.1 . 1 . . . . . 52 TYR N . 50131 1 99 . 1 . 1 53 53 GLY H H 1 8.189 0.01 . 1 . . . . . 53 GLY H . 50131 1 100 . 1 . 1 53 53 GLY N N 15 110.176 0.1 . 1 . . . . . 53 GLY N . 50131 1 101 . 1 . 1 54 54 GLN H H 1 8.062 0.01 . 1 . . . . . 54 GLN H . 50131 1 102 . 1 . 1 54 54 GLN N N 15 119.376 0.1 . 1 . . . . . 54 GLN N . 50131 1 103 . 1 . 1 55 55 GLN H H 1 8.360 0.01 . 1 . . . . . 55 GLN H . 50131 1 104 . 1 . 1 55 55 GLN N N 15 122.302 0.1 . 1 . . . . . 55 GLN N . 50131 1 105 . 1 . 1 57 57 GLN H H 1 8.453 0.01 . 1 . . . . . 57 GLN H . 50131 1 106 . 1 . 1 57 57 GLN N N 15 120.379 0.1 . 1 . . . . . 57 GLN N . 50131 1 107 . 1 . 1 58 58 GLY H H 1 8.323 0.01 . 1 . . . . . 58 GLY H . 50131 1 108 . 1 . 1 58 58 GLY N N 15 109.866 0.1 . 1 . . . . . 58 GLY N . 50131 1 109 . 1 . 1 59 59 ALA H H 1 8.035 0.01 . 1 . . . . . 59 ALA H . 50131 1 110 . 1 . 1 59 59 ALA N N 15 123.436 0.1 . 1 . . . . . 59 ALA N . 50131 1 111 . 1 . 1 60 60 TYR H H 1 8.069 0.01 . 1 . . . . . 60 TYR H . 50131 1 112 . 1 . 1 60 60 TYR N N 15 119.269 0.1 . 1 . . . . . 60 TYR N . 50131 1 113 . 1 . 1 61 61 GLN H H 1 8.230 0.01 . 1 . . . . . 61 GLN H . 50131 1 114 . 1 . 1 61 61 GLN N N 15 122.568 0.1 . 1 . . . . . 61 GLN N . 50131 1 115 . 1 . 1 62 62 GLY H H 1 7.784 0.01 . 1 . . . . . 62 GLY H . 50131 1 116 . 1 . 1 62 62 GLY N N 15 109.093 0.1 . 1 . . . . . 62 GLY N . 50131 1 117 . 1 . 1 63 63 TYR H H 1 7.956 0.01 . 1 . . . . . 63 TYR H . 50131 1 118 . 1 . 1 63 63 TYR N N 15 120.178 0.1 . 1 . . . . . 63 TYR N . 50131 1 119 . 1 . 1 64 64 ASN H H 1 8.217 0.01 . 1 . . . . . 64 ASN H . 50131 1 120 . 1 . 1 64 64 ASN N N 15 123.040 0.1 . 1 . . . . . 64 ASN N . 50131 1 121 . 1 . 1 66 66 GLN H H 1 8.133 0.01 . 1 . . . . . 66 GLN H . 50131 1 122 . 1 . 1 66 66 GLN N N 15 118.210 0.1 . 1 . . . . . 66 GLN N . 50131 1 123 . 1 . 1 67 67 GLN H H 1 7.959 0.01 . 1 . . . . . 67 GLN H . 50131 1 124 . 1 . 1 67 67 GLN N N 15 120.032 0.1 . 1 . . . . . 67 GLN N . 50131 1 125 . 1 . 1 68 68 ALA H H 1 8.129 0.01 . 1 . . . . . 68 ALA H . 50131 1 126 . 1 . 1 68 68 ALA N N 15 124.553 0.1 . 1 . . . . . 68 ALA N . 50131 1 127 . 1 . 1 69 69 GLN H H 1 8.234 0.01 . 1 . . . . . 69 GLN H . 50131 1 128 . 1 . 1 69 69 GLN N N 15 118.972 0.1 . 1 . . . . . 69 GLN N . 50131 1 129 . 1 . 1 70 70 GLY H H 1 8.281 0.01 . 1 . . . . . 70 GLY H . 50131 1 130 . 1 . 1 70 70 GLY N N 15 109.456 0.1 . 1 . . . . . 70 GLY N . 50131 1 131 . 1 . 1 71 71 TYR H H 1 7.968 0.01 . 1 . . . . . 71 TYR H . 50131 1 132 . 1 . 1 71 71 TYR N N 15 120.260 0.1 . 1 . . . . . 71 TYR N . 50131 1 133 . 1 . 1 72 72 GLN H H 1 8.038 0.01 . 1 . . . . . 72 GLN H . 50131 1 134 . 1 . 1 72 72 GLN N N 15 124.057 0.1 . 1 . . . . . 72 GLN N . 50131 1 135 . 1 . 1 74 74 TYR H H 1 7.945 0.01 . 1 . . . . . 74 TYR H . 50131 1 136 . 1 . 1 74 74 TYR N N 15 119.011 0.1 . 1 . . . . . 74 TYR N . 50131 1 137 . 1 . 1 75 75 GLN H H 1 8.187 0.01 . 1 . . . . . 75 GLN H . 50131 1 138 . 1 . 1 75 75 GLN N N 15 122.308 0.1 . 1 . . . . . 75 GLN N . 50131 1 139 . 1 . 1 76 76 GLY H H 1 7.812 0.01 . 1 . . . . . 76 GLY H . 50131 1 140 . 1 . 1 76 76 GLY N N 15 109.099 0.1 . 1 . . . . . 76 GLY N . 50131 1 141 . 1 . 1 77 77 TYR H H 1 7.946 0.01 . 1 . . . . . 77 TYR H . 50131 1 142 . 1 . 1 77 77 TYR N N 15 120.171 0.1 . 1 . . . . . 77 TYR N . 50131 1 143 . 1 . 1 78 78 ASN H H 1 8.248 0.01 . 1 . . . . . 78 ASN H . 50131 1 144 . 1 . 1 78 78 ASN N N 15 121.260 0.1 . 1 . . . . . 78 ASN N . 50131 1 145 . 1 . 1 79 79 ALA H H 1 8.115 0.01 . 1 . . . . . 79 ALA H . 50131 1 146 . 1 . 1 79 79 ALA N N 15 124.370 0.1 . 1 . . . . . 79 ALA N . 50131 1 147 . 1 . 1 80 80 GLN H H 1 8.180 0.01 . 1 . . . . . 80 GLN H . 50131 1 148 . 1 . 1 80 80 GLN N N 15 118.019 0.1 . 1 . . . . . 80 GLN N . 50131 1 149 . 1 . 1 81 81 GLN H H 1 8.123 0.01 . 1 . . . . . 81 GLN H . 50131 1 150 . 1 . 1 81 81 GLN N N 15 120.314 0.1 . 1 . . . . . 81 GLN N . 50131 1 151 . 1 . 1 82 82 GLN H H 1 8.297 0.01 . 1 . . . . . 82 GLN H . 50131 1 152 . 1 . 1 82 82 GLN N N 15 120.642 0.1 . 1 . . . . . 82 GLN N . 50131 1 153 . 1 . 1 83 83 GLY H H 1 8.306 0.01 . 1 . . . . . 83 GLY H . 50131 1 154 . 1 . 1 83 83 GLY N N 15 109.449 0.1 . 1 . . . . . 83 GLY N . 50131 1 155 . 1 . 1 84 84 TYR H H 1 8.019 0.01 . 1 . . . . . 84 TYR H . 50131 1 156 . 1 . 1 84 84 TYR N N 15 120.345 0.1 . 1 . . . . . 84 TYR N . 50131 1 157 . 1 . 1 85 85 ASN H H 1 8.252 0.01 . 1 . . . . . 85 ASN H . 50131 1 158 . 1 . 1 85 85 ASN N N 15 121.052 0.1 . 1 . . . . . 85 ASN N . 50131 1 159 . 1 . 1 86 86 ALA H H 1 8.106 0.01 . 1 . . . . . 86 ALA H . 50131 1 160 . 1 . 1 86 86 ALA N N 15 124.362 0.1 . 1 . . . . . 86 ALA N . 50131 1 161 . 1 . 1 87 87 GLN H H 1 8.203 0.01 . 1 . . . . . 87 GLN H . 50131 1 162 . 1 . 1 87 87 GLN N N 15 118.317 0.1 . 1 . . . . . 87 GLN N . 50131 1 163 . 1 . 1 88 88 GLN H H 1 8.203 0.01 . 1 . . . . . 88 GLN H . 50131 1 164 . 1 . 1 88 88 GLN N N 15 120.570 0.1 . 1 . . . . . 88 GLN N . 50131 1 165 . 1 . 1 89 89 GLY H H 1 8.334 0.01 . 1 . . . . . 89 GLY H . 50131 1 166 . 1 . 1 89 89 GLY N N 15 109.579 0.1 . 1 . . . . . 89 GLY N . 50131 1 167 . 1 . 1 90 90 GLY H H 1 8.193 0.01 . 1 . . . . . 90 GLY H . 50131 1 168 . 1 . 1 90 90 GLY N N 15 108.155 0.1 . 1 . . . . . 90 GLY N . 50131 1 169 . 1 . 1 91 91 HIS H H 1 8.358 0.01 . 1 . . . . . 91 HIS H . 50131 1 170 . 1 . 1 91 91 HIS N N 15 117.797 0.1 . 1 . . . . . 91 HIS N . 50131 1 171 . 1 . 1 92 92 ASN H H 1 8.462 0.01 . 1 . . . . . 92 ASN H . 50131 1 172 . 1 . 1 92 92 ASN N N 15 119.618 0.1 . 1 . . . . . 92 ASN N . 50131 1 173 . 1 . 1 93 93 ASN H H 1 8.430 0.01 . 1 . . . . . 93 ASN H . 50131 1 174 . 1 . 1 93 93 ASN N N 15 119.353 0.1 . 1 . . . . . 93 ASN N . 50131 1 175 . 1 . 1 94 94 ASN H H 1 8.334 0.01 . 1 . . . . . 94 ASN H . 50131 1 176 . 1 . 1 94 94 ASN N N 15 118.712 0.1 . 1 . . . . . 94 ASN N . 50131 1 177 . 1 . 1 95 95 TYR H H 1 8.044 0.01 . 1 . . . . . 95 TYR H . 50131 1 178 . 1 . 1 95 95 TYR N N 15 120.362 0.1 . 1 . . . . . 95 TYR N . 50131 1 179 . 1 . 1 96 96 ASN H H 1 8.197 0.01 . 1 . . . . . 96 ASN H . 50131 1 180 . 1 . 1 96 96 ASN N N 15 120.183 0.1 . 1 . . . . . 96 ASN N . 50131 1 181 . 1 . 1 97 97 LYS H H 1 8.107 0.01 . 1 . . . . . 97 LYS H . 50131 1 182 . 1 . 1 97 97 LYS N N 15 121.489 0.1 . 1 . . . . . 97 LYS N . 50131 1 183 . 1 . 1 98 98 ASN H H 1 8.249 0.01 . 1 . . . . . 98 ASN H . 50131 1 184 . 1 . 1 98 98 ASN N N 15 118.519 0.1 . 1 . . . . . 98 ASN N . 50131 1 185 . 1 . 1 99 99 TYR H H 1 7.994 0.01 . 1 . . . . . 99 TYR H . 50131 1 186 . 1 . 1 99 99 TYR N N 15 120.666 0.1 . 1 . . . . . 99 TYR N . 50131 1 187 . 1 . 1 100 100 ASN H H 1 8.247 0.01 . 1 . . . . . 100 ASN H . 50131 1 188 . 1 . 1 100 100 ASN N N 15 120.099 0.1 . 1 . . . . . 100 ASN N . 50131 1 189 . 1 . 1 101 101 ASN H H 1 8.202 0.01 . 1 . . . . . 101 ASN H . 50131 1 190 . 1 . 1 101 101 ASN N N 15 119.261 0.1 . 1 . . . . . 101 ASN N . 50131 1 191 . 1 . 1 102 102 LYS H H 1 8.233 0.01 . 1 . . . . . 102 LYS H . 50131 1 192 . 1 . 1 102 102 LYS N N 15 121.243 0.1 . 1 . . . . . 102 LYS N . 50131 1 193 . 1 . 1 103 103 ASN H H 1 8.312 0.01 . 1 . . . . . 103 ASN H . 50131 1 194 . 1 . 1 103 103 ASN N N 15 118.848 0.1 . 1 . . . . . 103 ASN N . 50131 1 195 . 1 . 1 104 104 SER H H 1 8.079 0.01 . 1 . . . . . 104 SER H . 50131 1 196 . 1 . 1 104 104 SER N N 15 115.705 0.1 . 1 . . . . . 104 SER N . 50131 1 197 . 1 . 1 105 105 TYR H H 1 8.100 0.01 . 1 . . . . . 105 TYR H . 50131 1 198 . 1 . 1 105 105 TYR N N 15 121.669 0.1 . 1 . . . . . 105 TYR N . 50131 1 199 . 1 . 1 106 106 ASN H H 1 8.190 0.01 . 1 . . . . . 106 ASN H . 50131 1 200 . 1 . 1 106 106 ASN N N 15 119.834 0.1 . 1 . . . . . 106 ASN N . 50131 1 201 . 1 . 1 107 107 ASN H H 1 8.156 0.01 . 1 . . . . . 107 ASN H . 50131 1 202 . 1 . 1 107 107 ASN N N 15 118.776 0.1 . 1 . . . . . 107 ASN N . 50131 1 203 . 1 . 1 108 108 TYR H H 1 8.035 0.01 . 1 . . . . . 108 TYR H . 50131 1 204 . 1 . 1 108 108 TYR N N 15 120.125 0.1 . 1 . . . . . 108 TYR N . 50131 1 205 . 1 . 1 109 109 ASN H H 1 8.197 0.01 . 1 . . . . . 109 ASN H . 50131 1 206 . 1 . 1 109 109 ASN N N 15 119.885 0.1 . 1 . . . . . 109 ASN N . 50131 1 207 . 1 . 1 110 110 LYS H H 1 8.097 0.01 . 1 . . . . . 110 LYS H . 50131 1 208 . 1 . 1 110 110 LYS N N 15 121.426 0.1 . 1 . . . . . 110 LYS N . 50131 1 209 . 1 . 1 111 111 GLN H H 1 8.284 0.01 . 1 . . . . . 111 GLN H . 50131 1 210 . 1 . 1 111 111 GLN N N 15 120.432 0.1 . 1 . . . . . 111 GLN N . 50131 1 211 . 1 . 1 112 112 GLY H H 1 8.287 0.01 . 1 . . . . . 112 GLY H . 50131 1 212 . 1 . 1 112 112 GLY N N 15 109.651 0.1 . 1 . . . . . 112 GLY N . 50131 1 213 . 1 . 1 113 113 TYR H H 1 8.031 0.01 . 1 . . . . . 113 TYR H . 50131 1 214 . 1 . 1 113 113 TYR N N 15 120.321 0.1 . 1 . . . . . 113 TYR N . 50131 1 215 . 1 . 1 114 114 GLN H H 1 8.324 0.01 . 1 . . . . . 114 GLN H . 50131 1 216 . 1 . 1 114 114 GLN N N 15 123.010 0.1 . 1 . . . . . 114 GLN N . 50131 1 217 . 1 . 1 115 115 GLY H H 1 7.735 0.01 . 1 . . . . . 115 GLY H . 50131 1 218 . 1 . 1 115 115 GLY N N 15 109.152 0.1 . 1 . . . . . 115 GLY N . 50131 1 219 . 1 . 1 116 116 ALA H H 1 8.132 0.01 . 1 . . . . . 116 ALA H . 50131 1 220 . 1 . 1 116 116 ALA N N 15 123.570 0.1 . 1 . . . . . 116 ALA N . 50131 1 221 . 1 . 1 117 117 GLN H H 1 8.344 0.01 . 1 . . . . . 117 GLN H . 50131 1 222 . 1 . 1 117 117 GLN N N 15 119.130 0.1 . 1 . . . . . 117 GLN N . 50131 1 223 . 1 . 1 118 118 GLY H H 1 8.269 0.01 . 1 . . . . . 118 GLY H . 50131 1 224 . 1 . 1 118 118 GLY N N 15 109.456 0.1 . 1 . . . . . 118 GLY N . 50131 1 225 . 1 . 1 119 119 TYR H H 1 8.018 0.01 . 1 . . . . . 119 TYR H . 50131 1 226 . 1 . 1 119 119 TYR N N 15 120.273 0.1 . 1 . . . . . 119 TYR N . 50131 1 227 . 1 . 1 120 120 ASN H H 1 8.262 0.01 . 1 . . . . . 120 ASN H . 50131 1 228 . 1 . 1 120 120 ASN N N 15 121.351 0.1 . 1 . . . . . 120 ASN N . 50131 1 229 . 1 . 1 121 121 ALA H H 1 8.079 0.01 . 1 . . . . . 121 ALA H . 50131 1 230 . 1 . 1 121 121 ALA N N 15 124.381 0.1 . 1 . . . . . 121 ALA N . 50131 1 231 . 1 . 1 122 122 GLN H H 1 8.181 0.01 . 1 . . . . . 122 GLN H . 50131 1 232 . 1 . 1 122 122 GLN N N 15 118.528 0.1 . 1 . . . . . 122 GLN N . 50131 1 233 . 1 . 1 123 123 GLN H H 1 8.203 0.01 . 1 . . . . . 123 GLN H . 50131 1 234 . 1 . 1 123 123 GLN N N 15 122.125 0.1 . 1 . . . . . 123 GLN N . 50131 1 235 . 1 . 1 125 125 THR H H 1 8.173 0.01 . 1 . . . . . 125 THR H . 50131 1 236 . 1 . 1 125 125 THR N N 15 113.874 0.1 . 1 . . . . . 125 THR N . 50131 1 237 . 1 . 1 126 126 GLY H H 1 8.317 0.01 . 1 . . . . . 126 GLY H . 50131 1 238 . 1 . 1 126 126 GLY N N 15 110.875 0.1 . 1 . . . . . 126 GLY N . 50131 1 239 . 1 . 1 127 127 TYR H H 1 7.978 0.01 . 1 . . . . . 127 TYR H . 50131 1 240 . 1 . 1 127 127 TYR N N 15 120.262 0.1 . 1 . . . . . 127 TYR N . 50131 1 241 . 1 . 1 128 128 ALA H H 1 8.026 0.01 . 1 . . . . . 128 ALA H . 50131 1 242 . 1 . 1 128 128 ALA N N 15 126.593 0.1 . 1 . . . . . 128 ALA N . 50131 1 243 . 1 . 1 129 129 ALA H H 1 8.093 0.01 . 1 . . . . . 129 ALA H . 50131 1 244 . 1 . 1 129 129 ALA N N 15 125.084 0.1 . 1 . . . . . 129 ALA N . 50131 1 245 . 1 . 1 131 131 ALA H H 1 8.339 0.01 . 1 . . . . . 131 ALA H . 50131 1 246 . 1 . 1 131 131 ALA N N 15 124.106 0.1 . 1 . . . . . 131 ALA N . 50131 1 247 . 1 . 1 132 132 GLN H H 1 8.344 0.01 . 1 . . . . . 132 GLN H . 50131 1 248 . 1 . 1 132 132 GLN N N 15 119.371 0.1 . 1 . . . . . 132 GLN N . 50131 1 249 . 1 . 1 133 133 SER H H 1 8.338 0.01 . 1 . . . . . 133 SER H . 50131 1 250 . 1 . 1 133 133 SER N N 15 116.800 0.1 . 1 . . . . . 133 SER N . 50131 1 251 . 1 . 1 134 134 SER H H 1 8.374 0.01 . 1 . . . . . 134 SER H . 50131 1 252 . 1 . 1 134 134 SER N N 15 117.655 0.1 . 1 . . . . . 134 SER N . 50131 1 253 . 1 . 1 135 135 SER H H 1 8.343 0.01 . 1 . . . . . 135 SER H . 50131 1 254 . 1 . 1 135 135 SER N N 15 117.588 0.1 . 1 . . . . . 135 SER N . 50131 1 255 . 1 . 1 136 136 GLN H H 1 8.322 0.01 . 1 . . . . . 136 GLN H . 50131 1 256 . 1 . 1 136 136 GLN N N 15 121.849 0.1 . 1 . . . . . 136 GLN N . 50131 1 257 . 1 . 1 137 137 GLY H H 1 8.368 0.01 . 1 . . . . . 137 GLY H . 50131 1 258 . 1 . 1 137 137 GLY N N 15 109.521 0.1 . 1 . . . . . 137 GLY N . 50131 1 259 . 1 . 1 138 138 MET H H 1 8.158 0.01 . 1 . . . . . 138 MET H . 50131 1 260 . 1 . 1 138 138 MET N N 15 119.903 0.1 . 1 . . . . . 138 MET N . 50131 1 261 . 1 . 1 139 139 THR H H 1 8.266 0.01 . 1 . . . . . 139 THR H . 50131 1 262 . 1 . 1 139 139 THR N N 15 115.599 0.1 . 1 . . . . . 139 THR N . 50131 1 263 . 1 . 1 140 140 LEU H H 1 8.247 0.01 . 1 . . . . . 140 LEU H . 50131 1 264 . 1 . 1 140 140 LEU N N 15 124.363 0.1 . 1 . . . . . 140 LEU N . 50131 1 265 . 1 . 1 141 141 LYS H H 1 8.173 0.01 . 1 . . . . . 141 LYS H . 50131 1 266 . 1 . 1 141 141 LYS N N 15 121.137 0.1 . 1 . . . . . 141 LYS N . 50131 1 267 . 1 . 1 142 142 ASP H H 1 8.131 0.01 . 1 . . . . . 142 ASP H . 50131 1 268 . 1 . 1 142 142 ASP N N 15 119.881 0.1 . 1 . . . . . 142 ASP N . 50131 1 269 . 1 . 1 143 143 PHE H H 1 8.093 0.01 . 1 . . . . . 143 PHE H . 50131 1 270 . 1 . 1 143 143 PHE N N 15 120.271 0.1 . 1 . . . . . 143 PHE N . 50131 1 271 . 1 . 1 144 144 GLN H H 1 8.245 0.01 . 1 . . . . . 144 GLN H . 50131 1 272 . 1 . 1 144 144 GLN N N 15 120.594 0.1 . 1 . . . . . 144 GLN N . 50131 1 273 . 1 . 1 145 145 ASN H H 1 8.257 0.01 . 1 . . . . . 145 ASN H . 50131 1 274 . 1 . 1 145 145 ASN N N 15 118.952 0.1 . 1 . . . . . 145 ASN N . 50131 1 275 . 1 . 1 146 146 GLN H H 1 8.326 0.01 . 1 . . . . . 146 GLN H . 50131 1 276 . 1 . 1 146 146 GLN N N 15 120.616 0.1 . 1 . . . . . 146 GLN N . 50131 1 277 . 1 . 1 147 147 GLN H H 1 8.373 0.01 . 1 . . . . . 147 GLN H . 50131 1 278 . 1 . 1 147 147 GLN N N 15 120.874 0.1 . 1 . . . . . 147 GLN N . 50131 1 279 . 1 . 1 148 148 GLY H H 1 8.368 0.01 . 1 . . . . . 148 GLY H . 50131 1 280 . 1 . 1 148 148 GLY N N 15 109.740 0.1 . 1 . . . . . 148 GLY N . 50131 1 281 . 1 . 1 149 149 SER H H 1 8.204 0.01 . 1 . . . . . 149 SER H . 50131 1 282 . 1 . 1 149 149 SER N N 15 115.491 0.1 . 1 . . . . . 149 SER N . 50131 1 283 . 1 . 1 150 150 THR H H 1 8.217 0.01 . 1 . . . . . 150 THR H . 50131 1 284 . 1 . 1 150 150 THR N N 15 115.580 0.1 . 1 . . . . . 150 THR N . 50131 1 285 . 1 . 1 151 151 ASN H H 1 8.386 0.01 . 1 . . . . . 151 ASN H . 50131 1 286 . 1 . 1 151 151 ASN N N 15 120.910 0.1 . 1 . . . . . 151 ASN N . 50131 1 287 . 1 . 1 152 152 ALA H H 1 8.128 0.01 . 1 . . . . . 152 ALA H . 50131 1 288 . 1 . 1 152 152 ALA N N 15 124.391 0.1 . 1 . . . . . 152 ALA N . 50131 1 289 . 1 . 1 153 153 ALA H H 1 8.122 0.01 . 1 . . . . . 153 ALA H . 50131 1 290 . 1 . 1 153 153 ALA N N 15 122.965 0.1 . 1 . . . . . 153 ALA N . 50131 1 291 . 1 . 1 154 154 LYS H H 1 8.122 0.01 . 1 . . . . . 154 LYS H . 50131 1 292 . 1 . 1 154 154 LYS N N 15 121.897 0.1 . 1 . . . . . 154 LYS N . 50131 1 293 . 1 . 1 156 156 LYS H H 1 8.396 0.01 . 1 . . . . . 156 LYS H . 50131 1 294 . 1 . 1 156 156 LYS N N 15 123.173 0.1 . 1 . . . . . 156 LYS N . 50131 1 295 . 1 . 1 158 158 LYS H H 1 8.373 0.01 . 1 . . . . . 158 LYS H . 50131 1 296 . 1 . 1 158 158 LYS N N 15 121.984 0.1 . 1 . . . . . 158 LYS N . 50131 1 297 . 1 . 1 159 159 LEU H H 1 8.154 0.01 . 1 . . . . . 159 LEU H . 50131 1 298 . 1 . 1 159 159 LEU N N 15 123.955 0.1 . 1 . . . . . 159 LEU N . 50131 1 299 . 1 . 1 160 160 LYS H H 1 8.338 0.01 . 1 . . . . . 160 LYS H . 50131 1 300 . 1 . 1 160 160 LYS N N 15 123.305 0.1 . 1 . . . . . 160 LYS N . 50131 1 301 . 1 . 1 161 161 LEU H H 1 8.214 0.01 . 1 . . . . . 161 LEU H . 50131 1 302 . 1 . 1 161 161 LEU N N 15 124.506 0.1 . 1 . . . . . 161 LEU N . 50131 1 303 . 1 . 1 162 162 ALA H H 1 8.356 0.01 . 1 . . . . . 162 ALA H . 50131 1 304 . 1 . 1 162 162 ALA N N 15 125.447 0.1 . 1 . . . . . 162 ALA N . 50131 1 305 . 1 . 1 163 163 SER H H 1 8.268 0.01 . 1 . . . . . 163 SER H . 50131 1 306 . 1 . 1 163 163 SER N N 15 115.047 0.1 . 1 . . . . . 163 SER N . 50131 1 307 . 1 . 1 164 164 SER H H 1 8.368 0.01 . 1 . . . . . 164 SER H . 50131 1 308 . 1 . 1 164 164 SER N N 15 117.774 0.1 . 1 . . . . . 164 SER N . 50131 1 309 . 1 . 1 165 165 SER H H 1 8.338 0.01 . 1 . . . . . 165 SER H . 50131 1 310 . 1 . 1 165 165 SER N N 15 117.638 0.1 . 1 . . . . . 165 SER N . 50131 1 311 . 1 . 1 166 166 GLY H H 1 8.369 0.01 . 1 . . . . . 166 GLY H . 50131 1 312 . 1 . 1 166 166 GLY N N 15 110.683 0.1 . 1 . . . . . 166 GLY N . 50131 1 313 . 1 . 1 167 167 ILE H H 1 7.901 0.01 . 1 . . . . . 167 ILE H . 50131 1 314 . 1 . 1 167 167 ILE N N 15 120.198 0.1 . 1 . . . . . 167 ILE N . 50131 1 315 . 1 . 1 168 168 LYS H H 1 8.345 0.01 . 1 . . . . . 168 LYS H . 50131 1 316 . 1 . 1 168 168 LYS N N 15 125.817 0.1 . 1 . . . . . 168 LYS N . 50131 1 317 . 1 . 1 169 169 LEU H H 1 8.246 0.01 . 1 . . . . . 169 LEU H . 50131 1 318 . 1 . 1 169 169 LEU N N 15 124.620 0.1 . 1 . . . . . 169 LEU N . 50131 1 319 . 1 . 1 170 170 VAL H H 1 8.121 0.01 . 1 . . . . . 170 VAL H . 50131 1 320 . 1 . 1 170 170 VAL N N 15 121.550 0.1 . 1 . . . . . 170 VAL N . 50131 1 321 . 1 . 1 171 171 GLY H H 1 8.421 0.01 . 1 . . . . . 171 GLY H . 50131 1 322 . 1 . 1 171 171 GLY N N 15 112.580 0.1 . 1 . . . . . 171 GLY N . 50131 1 323 . 1 . 1 172 172 ALA H H 1 8.096 0.01 . 1 . . . . . 172 ALA H . 50131 1 324 . 1 . 1 172 172 ALA N N 15 123.821 0.1 . 1 . . . . . 172 ALA N . 50131 1 325 . 1 . 1 173 173 LYS H H 1 8.266 0.01 . 1 . . . . . 173 LYS H . 50131 1 326 . 1 . 1 173 173 LYS N N 15 120.940 0.1 . 1 . . . . . 173 LYS N . 50131 1 327 . 1 . 1 174 174 LYS H H 1 8.284 0.01 . 1 . . . . . 174 LYS H . 50131 1 328 . 1 . 1 174 174 LYS N N 15 124.374 0.1 . 1 . . . . . 174 LYS N . 50131 1 329 . 1 . 1 176 176 VAL H H 1 8.169 0.01 . 1 . . . . . 176 VAL H . 50131 1 330 . 1 . 1 176 176 VAL N N 15 120.734 0.1 . 1 . . . . . 176 VAL N . 50131 1 331 . 1 . 1 177 177 ALA H H 1 8.334 0.01 . 1 . . . . . 177 ALA H . 50131 1 332 . 1 . 1 177 177 ALA N N 15 129.420 0.1 . 1 . . . . . 177 ALA N . 50131 1 333 . 1 . 1 179 179 LYS H H 1 8.398 0.01 . 1 . . . . . 179 LYS H . 50131 1 334 . 1 . 1 179 179 LYS N N 15 121.514 0.1 . 1 . . . . . 179 LYS N . 50131 1 335 . 1 . 1 180 180 THR H H 1 8.134 0.01 . 1 . . . . . 180 THR H . 50131 1 336 . 1 . 1 180 180 THR N N 15 115.361 0.1 . 1 . . . . . 180 THR N . 50131 1 337 . 1 . 1 181 181 GLU H H 1 8.393 0.01 . 1 . . . . . 181 GLU H . 50131 1 338 . 1 . 1 181 181 GLU N N 15 123.284 0.1 . 1 . . . . . 181 GLU N . 50131 1 339 . 1 . 1 182 182 LYS H H 1 8.415 0.01 . 1 . . . . . 182 LYS H . 50131 1 340 . 1 . 1 182 182 LYS N N 15 122.743 0.1 . 1 . . . . . 182 LYS N . 50131 1 341 . 1 . 1 183 183 THR H H 1 8.192 0.01 . 1 . . . . . 183 THR H . 50131 1 342 . 1 . 1 183 183 THR N N 15 115.540 0.1 . 1 . . . . . 183 THR N . 50131 1 343 . 1 . 1 184 184 ASP H H 1 8.416 0.01 . 1 . . . . . 184 ASP H . 50131 1 344 . 1 . 1 184 184 ASP N N 15 122.298 0.1 . 1 . . . . . 184 ASP N . 50131 1 345 . 1 . 1 185 185 GLU H H 1 8.408 0.01 . 1 . . . . . 185 GLU H . 50131 1 346 . 1 . 1 185 185 GLU N N 15 121.812 0.1 . 1 . . . . . 185 GLU N . 50131 1 347 . 1 . 1 186 186 SER H H 1 8.361 0.01 . 1 . . . . . 186 SER H . 50131 1 348 . 1 . 1 186 186 SER N N 15 116.651 0.1 . 1 . . . . . 186 SER N . 50131 1 349 . 1 . 1 187 187 LYS H H 1 8.203 0.01 . 1 . . . . . 187 LYS H . 50131 1 350 . 1 . 1 187 187 LYS N N 15 122.722 0.1 . 1 . . . . . 187 LYS N . 50131 1 351 . 1 . 1 188 188 GLU H H 1 8.193 0.01 . 1 . . . . . 188 GLU H . 50131 1 352 . 1 . 1 188 188 GLU N N 15 120.710 0.1 . 1 . . . . . 188 GLU N . 50131 1 353 . 1 . 1 189 189 ALA H H 1 8.258 0.01 . 1 . . . . . 189 ALA H . 50131 1 354 . 1 . 1 189 189 ALA N N 15 124.935 0.1 . 1 . . . . . 189 ALA N . 50131 1 355 . 1 . 1 190 190 THR H H 1 8.047 0.01 . 1 . . . . . 190 THR H . 50131 1 356 . 1 . 1 190 190 THR N N 15 113.444 0.1 . 1 . . . . . 190 THR N . 50131 1 357 . 1 . 1 191 191 LYS H H 1 8.301 0.01 . 1 . . . . . 191 LYS H . 50131 1 358 . 1 . 1 191 191 LYS N N 15 123.906 0.1 . 1 . . . . . 191 LYS N . 50131 1 359 . 1 . 1 192 192 THR H H 1 8.275 0.01 . 1 . . . . . 192 THR H . 50131 1 360 . 1 . 1 192 192 THR N N 15 115.636 0.1 . 1 . . . . . 192 THR N . 50131 1 361 . 1 . 1 193 193 THR H H 1 8.133 0.01 . 1 . . . . . 193 THR H . 50131 1 362 . 1 . 1 193 193 THR N N 15 115.480 0.1 . 1 . . . . . 193 THR N . 50131 1 363 . 1 . 1 194 194 ASP H H 1 8.374 0.01 . 1 . . . . . 194 ASP H . 50131 1 364 . 1 . 1 194 194 ASP N N 15 121.899 0.1 . 1 . . . . . 194 ASP N . 50131 1 365 . 1 . 1 195 195 ASP H H 1 8.355 0.01 . 1 . . . . . 195 ASP H . 50131 1 366 . 1 . 1 195 195 ASP N N 15 120.299 0.1 . 1 . . . . . 195 ASP N . 50131 1 367 . 1 . 1 196 196 ASN H H 1 8.388 0.01 . 1 . . . . . 196 ASN H . 50131 1 368 . 1 . 1 196 196 ASN N N 15 119.020 0.1 . 1 . . . . . 196 ASN N . 50131 1 369 . 1 . 1 197 197 GLU H H 1 8.290 0.01 . 1 . . . . . 197 GLU H . 50131 1 370 . 1 . 1 197 197 GLU N N 15 120.311 0.1 . 1 . . . . . 197 GLU N . 50131 1 371 . 1 . 1 198 198 GLU H H 1 8.287 0.01 . 1 . . . . . 198 GLU H . 50131 1 372 . 1 . 1 198 198 GLU N N 15 120.633 0.1 . 1 . . . . . 198 GLU N . 50131 1 373 . 1 . 1 199 199 ALA H H 1 8.195 0.01 . 1 . . . . . 199 ALA H . 50131 1 374 . 1 . 1 199 199 ALA N N 15 124.398 0.1 . 1 . . . . . 199 ALA N . 50131 1 375 . 1 . 1 200 200 GLN H H 1 8.260 0.01 . 1 . . . . . 200 GLN H . 50131 1 376 . 1 . 1 200 200 GLN N N 15 118.864 0.1 . 1 . . . . . 200 GLN N . 50131 1 377 . 1 . 1 201 201 SER H H 1 8.203 0.01 . 1 . . . . . 201 SER H . 50131 1 378 . 1 . 1 201 201 SER N N 15 116.163 0.1 . 1 . . . . . 201 SER N . 50131 1 379 . 1 . 1 202 202 GLU H H 1 8.241 0.01 . 1 . . . . . 202 GLU H . 50131 1 380 . 1 . 1 202 202 GLU N N 15 121.767 0.1 . 1 . . . . . 202 GLU N . 50131 1 381 . 1 . 1 203 203 LEU H H 1 8.090 0.01 . 1 . . . . . 203 LEU H . 50131 1 382 . 1 . 1 203 203 LEU N N 15 124.204 0.1 . 1 . . . . . 203 LEU N . 50131 1 383 . 1 . 1 205 205 LYS H H 1 8.340 0.01 . 1 . . . . . 205 LYS H . 50131 1 384 . 1 . 1 205 205 LYS N N 15 121.804 0.1 . 1 . . . . . 205 LYS N . 50131 1 385 . 1 . 1 206 206 ILE H H 1 8.136 0.01 . 1 . . . . . 206 ILE H . 50131 1 386 . 1 . 1 206 206 ILE N N 15 121.852 0.1 . 1 . . . . . 206 ILE N . 50131 1 387 . 1 . 1 207 207 ASP H H 1 8.403 0.01 . 1 . . . . . 207 ASP H . 50131 1 388 . 1 . 1 207 207 ASP N N 15 123.282 0.1 . 1 . . . . . 207 ASP N . 50131 1 389 . 1 . 1 208 208 ASP H H 1 8.242 0.01 . 1 . . . . . 208 ASP H . 50131 1 390 . 1 . 1 208 208 ASP N N 15 120.526 0.1 . 1 . . . . . 208 ASP N . 50131 1 391 . 1 . 1 209 209 LEU H H 1 8.120 0.01 . 1 . . . . . 209 LEU H . 50131 1 392 . 1 . 1 209 209 LEU N N 15 122.241 0.1 . 1 . . . . . 209 LEU N . 50131 1 393 . 1 . 1 210 210 LYS H H 1 8.167 0.01 . 1 . . . . . 210 LYS H . 50131 1 394 . 1 . 1 210 210 LYS N N 15 121.208 0.1 . 1 . . . . . 210 LYS N . 50131 1 395 . 1 . 1 211 211 ILE H H 1 7.950 0.01 . 1 . . . . . 211 ILE H . 50131 1 396 . 1 . 1 211 211 ILE N N 15 121.028 0.1 . 1 . . . . . 211 ILE N . 50131 1 397 . 1 . 1 212 212 SER H H 1 8.273 0.01 . 1 . . . . . 212 SER H . 50131 1 398 . 1 . 1 212 212 SER N N 15 118.944 0.1 . 1 . . . . . 212 SER N . 50131 1 399 . 1 . 1 213 213 GLU H H 1 8.331 0.01 . 1 . . . . . 213 GLU H . 50131 1 400 . 1 . 1 213 213 GLU N N 15 122.444 0.1 . 1 . . . . . 213 GLU N . 50131 1 401 . 1 . 1 214 214 ALA H H 1 8.119 0.01 . 1 . . . . . 214 ALA H . 50131 1 402 . 1 . 1 214 214 ALA N N 15 123.768 0.1 . 1 . . . . . 214 ALA N . 50131 1 403 . 1 . 1 215 215 GLU H H 1 8.102 0.01 . 1 . . . . . 215 GLU H . 50131 1 404 . 1 . 1 215 215 GLU N N 15 118.882 0.1 . 1 . . . . . 215 GLU N . 50131 1 405 . 1 . 1 216 216 LYS H H 1 8.146 0.01 . 1 . . . . . 216 LYS H . 50131 1 406 . 1 . 1 216 216 LYS N N 15 123.613 0.1 . 1 . . . . . 216 LYS N . 50131 1 407 . 1 . 1 218 218 LYS H H 1 8.483 0.01 . 1 . . . . . 218 LYS H . 50131 1 408 . 1 . 1 218 218 LYS N N 15 122.012 0.1 . 1 . . . . . 218 LYS N . 50131 1 409 . 1 . 1 219 219 THR H H 1 8.095 0.01 . 1 . . . . . 219 THR H . 50131 1 410 . 1 . 1 219 219 THR N N 15 115.237 0.1 . 1 . . . . . 219 THR N . 50131 1 411 . 1 . 1 220 220 LYS H H 1 8.364 0.01 . 1 . . . . . 220 LYS H . 50131 1 412 . 1 . 1 220 220 LYS N N 15 123.510 0.1 . 1 . . . . . 220 LYS N . 50131 1 413 . 1 . 1 221 221 GLU H H 1 8.403 0.01 . 1 . . . . . 221 GLU H . 50131 1 414 . 1 . 1 221 221 GLU N N 15 121.733 0.1 . 1 . . . . . 221 GLU N . 50131 1 415 . 1 . 1 222 222 ASN H H 1 8.523 0.01 . 1 . . . . . 222 ASN H . 50131 1 416 . 1 . 1 222 222 ASN N N 15 120.107 0.1 . 1 . . . . . 222 ASN N . 50131 1 417 . 1 . 1 223 223 THR H H 1 8.072 0.01 . 1 . . . . . 223 THR H . 50131 1 418 . 1 . 1 223 223 THR N N 15 116.679 0.1 . 1 . . . . . 223 THR N . 50131 1 419 . 1 . 1 225 225 SER H H 1 8.384 0.01 . 1 . . . . . 225 SER H . 50131 1 420 . 1 . 1 225 225 SER N N 15 116.284 0.1 . 1 . . . . . 225 SER N . 50131 1 421 . 1 . 1 226 226 ALA H H 1 8.360 0.01 . 1 . . . . . 226 ALA H . 50131 1 422 . 1 . 1 226 226 ALA N N 15 125.980 0.1 . 1 . . . . . 226 ALA N . 50131 1 423 . 1 . 1 227 227 ASP H H 1 8.268 0.01 . 1 . . . . . 227 ASP H . 50131 1 424 . 1 . 1 227 227 ASP N N 15 118.378 0.1 . 1 . . . . . 227 ASP N . 50131 1 425 . 1 . 1 228 228 ASP H H 1 8.283 0.01 . 1 . . . . . 228 ASP H . 50131 1 426 . 1 . 1 228 228 ASP N N 15 120.579 0.1 . 1 . . . . . 228 ASP N . 50131 1 427 . 1 . 1 229 229 THR H H 1 8.197 0.01 . 1 . . . . . 229 THR H . 50131 1 428 . 1 . 1 229 229 THR N N 15 114.181 0.1 . 1 . . . . . 229 THR N . 50131 1 429 . 1 . 1 230 230 SER H H 1 8.333 0.01 . 1 . . . . . 230 SER H . 50131 1 430 . 1 . 1 230 230 SER N N 15 117.891 0.1 . 1 . . . . . 230 SER N . 50131 1 431 . 1 . 1 231 231 SER H H 1 8.269 0.01 . 1 . . . . . 231 SER H . 50131 1 432 . 1 . 1 231 231 SER N N 15 117.509 0.1 . 1 . . . . . 231 SER N . 50131 1 433 . 1 . 1 232 232 GLU H H 1 8.247 0.01 . 1 . . . . . 232 GLU H . 50131 1 434 . 1 . 1 232 232 GLU N N 15 121.891 0.1 . 1 . . . . . 232 GLU N . 50131 1 435 . 1 . 1 233 233 LYS H H 1 8.254 0.01 . 1 . . . . . 233 LYS H . 50131 1 436 . 1 . 1 233 233 LYS N N 15 121.829 0.1 . 1 . . . . . 233 LYS N . 50131 1 437 . 1 . 1 234 234 THR H H 1 8.136 0.01 . 1 . . . . . 234 THR H . 50131 1 438 . 1 . 1 234 234 THR N N 15 114.908 0.1 . 1 . . . . . 234 THR N . 50131 1 439 . 1 . 1 235 235 THR H H 1 8.180 0.01 . 1 . . . . . 235 THR H . 50131 1 440 . 1 . 1 235 235 THR N N 15 116.046 0.1 . 1 . . . . . 235 THR N . 50131 1 441 . 1 . 1 236 236 SER H H 1 8.280 0.01 . 1 . . . . . 236 SER H . 50131 1 442 . 1 . 1 236 236 SER N N 15 118.109 0.1 . 1 . . . . . 236 SER N . 50131 1 443 . 1 . 1 237 237 ALA H H 1 8.280 0.01 . 1 . . . . . 237 ALA H . 50131 1 444 . 1 . 1 237 237 ALA N N 15 126.141 0.1 . 1 . . . . . 237 ALA N . 50131 1 445 . 1 . 1 238 238 LYS H H 1 8.188 0.01 . 1 . . . . . 238 LYS H . 50131 1 446 . 1 . 1 238 238 LYS N N 15 120.561 0.1 . 1 . . . . . 238 LYS N . 50131 1 447 . 1 . 1 239 239 ALA H H 1 8.260 0.01 . 1 . . . . . 239 ALA H . 50131 1 448 . 1 . 1 239 239 ALA N N 15 125.248 0.1 . 1 . . . . . 239 ALA N . 50131 1 449 . 1 . 1 240 240 ASP H H 1 8.376 0.01 . 1 . . . . . 240 ASP H . 50131 1 450 . 1 . 1 240 240 ASP N N 15 119.509 0.1 . 1 . . . . . 240 ASP N . 50131 1 451 . 1 . 1 241 241 THR H H 1 8.111 0.01 . 1 . . . . . 241 THR H . 50131 1 452 . 1 . 1 241 241 THR N N 15 113.992 0.1 . 1 . . . . . 241 THR N . 50131 1 453 . 1 . 1 242 242 SER H H 1 8.415 0.01 . 1 . . . . . 242 SER H . 50131 1 454 . 1 . 1 242 242 SER N N 15 118.218 0.1 . 1 . . . . . 242 SER N . 50131 1 455 . 1 . 1 243 243 THR H H 1 8.169 0.01 . 1 . . . . . 243 THR H . 50131 1 456 . 1 . 1 243 243 THR N N 15 115.034 0.1 . 1 . . . . . 243 THR N . 50131 1 457 . 1 . 1 244 244 GLY H H 1 8.366 0.01 . 1 . . . . . 244 GLY H . 50131 1 458 . 1 . 1 244 244 GLY N N 15 111.008 0.1 . 1 . . . . . 244 GLY N . 50131 1 459 . 1 . 1 245 245 GLY H H 1 8.255 0.01 . 1 . . . . . 245 GLY H . 50131 1 460 . 1 . 1 245 245 GLY N N 15 108.824 0.1 . 1 . . . . . 245 GLY N . 50131 1 461 . 1 . 1 246 246 ALA H H 1 8.254 0.01 . 1 . . . . . 246 ALA H . 50131 1 462 . 1 . 1 246 246 ALA N N 15 123.868 0.1 . 1 . . . . . 246 ALA N . 50131 1 463 . 1 . 1 247 247 ASN H H 1 8.414 0.01 . 1 . . . . . 247 ASN H . 50131 1 464 . 1 . 1 247 247 ASN N N 15 117.413 0.1 . 1 . . . . . 247 ASN N . 50131 1 465 . 1 . 1 248 248 SER H H 1 8.155 0.01 . 1 . . . . . 248 SER H . 50131 1 466 . 1 . 1 248 248 SER N N 15 116.038 0.1 . 1 . . . . . 248 SER N . 50131 1 467 . 1 . 1 249 249 VAL H H 1 8.143 0.01 . 1 . . . . . 249 VAL H . 50131 1 468 . 1 . 1 249 249 VAL N N 15 121.382 0.1 . 1 . . . . . 249 VAL N . 50131 1 469 . 1 . 1 250 250 ASP H H 1 8.281 0.01 . 1 . . . . . 250 ASP H . 50131 1 470 . 1 . 1 250 250 ASP N N 15 122.012 0.1 . 1 . . . . . 250 ASP N . 50131 1 471 . 1 . 1 251 251 ALA H H 1 8.078 0.01 . 1 . . . . . 251 ALA H . 50131 1 472 . 1 . 1 251 251 ALA N N 15 123.672 0.1 . 1 . . . . . 251 ALA N . 50131 1 473 . 1 . 1 252 252 LEU H H 1 7.998 0.01 . 1 . . . . . 252 LEU H . 50131 1 474 . 1 . 1 252 252 LEU N N 15 119.865 0.1 . 1 . . . . . 252 LEU N . 50131 1 475 . 1 . 1 253 253 ILE H H 1 7.865 0.01 . 1 . . . . . 253 ILE H . 50131 1 476 . 1 . 1 253 253 ILE N N 15 120.638 0.1 . 1 . . . . . 253 ILE N . 50131 1 477 . 1 . 1 254 254 LYS H H 1 8.114 0.01 . 1 . . . . . 254 LYS H . 50131 1 478 . 1 . 1 254 254 LYS N N 15 123.541 0.1 . 1 . . . . . 254 LYS N . 50131 1 479 . 1 . 1 255 255 GLU H H 1 8.190 0.01 . 1 . . . . . 255 GLU H . 50131 1 480 . 1 . 1 255 255 GLU N N 15 120.396 0.1 . 1 . . . . . 255 GLU N . 50131 1 481 . 1 . 1 256 256 GLN H H 1 8.236 0.01 . 1 . . . . . 256 GLN H . 50131 1 482 . 1 . 1 256 256 GLN N N 15 120.225 0.1 . 1 . . . . . 256 GLN N . 50131 1 483 . 1 . 1 257 257 GLU H H 1 8.312 0.01 . 1 . . . . . 257 GLU H . 50131 1 484 . 1 . 1 257 257 GLU N N 15 120.679 0.1 . 1 . . . . . 257 GLU N . 50131 1 485 . 1 . 1 258 258 ASP H H 1 8.345 0.01 . 1 . . . . . 258 ASP H . 50131 1 486 . 1 . 1 258 258 ASP N N 15 119.808 0.1 . 1 . . . . . 258 ASP N . 50131 1 487 . 1 . 1 259 259 GLU H H 1 8.163 0.01 . 1 . . . . . 259 GLU H . 50131 1 488 . 1 . 1 259 259 GLU N N 15 120.349 0.1 . 1 . . . . . 259 GLU N . 50131 1 489 . 1 . 1 260 260 VAL H H 1 8.008 0.01 . 1 . . . . . 260 VAL H . 50131 1 490 . 1 . 1 260 260 VAL N N 15 119.861 0.1 . 1 . . . . . 260 VAL N . 50131 1 491 . 1 . 1 261 261 ASP H H 1 8.284 0.01 . 1 . . . . . 261 ASP H . 50131 1 492 . 1 . 1 261 261 ASP N N 15 121.932 0.1 . 1 . . . . . 261 ASP N . 50131 1 493 . 1 . 1 262 262 GLU H H 1 8.271 0.01 . 1 . . . . . 262 GLU H . 50131 1 494 . 1 . 1 262 262 GLU N N 15 120.566 0.1 . 1 . . . . . 262 GLU N . 50131 1 495 . 1 . 1 263 263 GLU H H 1 8.251 0.01 . 1 . . . . . 263 GLU H . 50131 1 496 . 1 . 1 263 263 GLU N N 15 119.727 0.1 . 1 . . . . . 263 GLU N . 50131 1 497 . 1 . 1 264 264 VAL H H 1 7.897 0.01 . 1 . . . . . 264 VAL H . 50131 1 498 . 1 . 1 264 264 VAL N N 15 119.358 0.1 . 1 . . . . . 264 VAL N . 50131 1 499 . 1 . 1 265 265 VAL H H 1 7.854 0.01 . 1 . . . . . 265 VAL H . 50131 1 500 . 1 . 1 265 265 VAL N N 15 121.317 0.1 . 1 . . . . . 265 VAL N . 50131 1 501 . 1 . 1 266 266 LYS H H 1 8.139 0.01 . 1 . . . . . 266 LYS H . 50131 1 502 . 1 . 1 266 266 LYS N N 15 122.781 0.1 . 1 . . . . . 266 LYS N . 50131 1 503 . 1 . 1 267 267 ASP H H 1 8.022 0.01 . 1 . . . . . 267 ASP H . 50131 1 504 . 1 . 1 267 267 ASP N N 15 119.116 0.1 . 1 . . . . . 267 ASP N . 50131 1 505 . 1 . 1 268 268 HIS H H 1 8.455 0.01 . 1 . . . . . 268 HIS H . 50131 1 506 . 1 . 1 268 268 HIS N N 15 118.396 0.1 . 1 . . . . . 268 HIS N . 50131 1 507 . 1 . 1 269 269 HIS H H 1 8.483 0.01 . 1 . . . . . 269 HIS H . 50131 1 508 . 1 . 1 269 269 HIS N N 15 117.212 0.1 . 1 . . . . . 269 HIS N . 50131 1 509 . 1 . 1 270 270 HIS H H 1 8.432 0.01 . 1 . . . . . 270 HIS H . 50131 1 510 . 1 . 1 270 270 HIS N N 15 118.363 0.1 . 1 . . . . . 270 HIS N . 50131 1 511 . 1 . 1 271 271 HIS H H 1 8.642 0.01 . 1 . . . . . 271 HIS H . 50131 1 512 . 1 . 1 271 271 HIS N N 15 119.743 0.1 . 1 . . . . . 271 HIS N . 50131 1 513 . 1 . 1 272 272 HIS H H 1 8.733 0.01 . 1 . . . . . 272 HIS H . 50131 1 514 . 1 . 1 272 272 HIS N N 15 120.392 0.1 . 1 . . . . . 272 HIS N . 50131 1 515 . 1 . 1 273 273 HIS H H 1 8.581 0.01 . 1 . . . . . 273 HIS H . 50131 1 516 . 1 . 1 273 273 HIS N N 15 120.603 0.1 . 1 . . . . . 273 HIS N . 50131 1 517 . 1 . 1 274 274 HIS H H 1 8.384 0.01 . 1 . . . . . 274 HIS H . 50131 1 518 . 1 . 1 274 274 HIS N N 15 125.574 0.1 . 1 . . . . . 274 HIS N . 50131 1 stop_ save_