data_12016 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 12016 _Entry.Title ; Backbone 1H and 15N Chemical Shift Assignments for Sup35NM ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-02-06 _Entry.Accession_date 2018-02-18 _Entry.Last_release_date 2018-02-18 _Entry.Original_release_date 2018-02-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yumiko Ohhashi . . . . 12016 2 Yoshiki Yamaguchi . . . . 12016 3 Yuji Kamatari . O. . . 12016 4 Shinya Hanashima . . . . 12016 5 Kazuo Kuwata . . . . 12016 6 Motomasa Tanaka . . . . 12016 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 12016 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 219 12016 '1H chemical shifts' 219 12016 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 . . 2018-02-27 2018-02-06 update BMRB 'update entry citation' 12016 1 . . 2018-02-27 2018-02-06 original author 'original release' 12016 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 12016 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1073/pnas.1715483115 _Citation.PubMed_ID 29467288 _Citation.Full_citation . _Citation.Title ; Molecular basis for diversification of yeast prion strain conformation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 115 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 2389 _Citation.Page_last 2394 _Citation.Year 2018 _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 Yumiko Ohhashi . . . . 12016 1 2 Yoshiki Yamaguchi . . . . 12016 1 3 Hiroshi Kurahashi . . . . 12016 1 4 Yuji Kamatari . O. . . 12016 1 5 Shinju Sugiyama . . . . 12016 1 6 Boran Uluca . . . . 12016 1 7 Timo Piechatzek . . . . 12016 1 8 Yusuke Komi . . . . 12016 1 9 Toshinobu Shida . . . . 12016 1 10 Henrik Muller . . . . 12016 1 11 Shinya Hanashima . . . . 12016 1 12 Henrike Heise . . . . 12016 1 13 Kazuo Kuwata . . . . 12016 1 14 Motomasa Tanaka . . . . 12016 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Aggregate 12016 1 Amyloid 12016 1 'Protein dynamics' 12016 1 'Protein misfolding' 12016 1 'Yeast prion' 12016 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 12016 _Assembly.ID 1 _Assembly.Name Sup35NM _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'Sup35, component 1' 1 $Sup35 A . yes 'intrinsically disordered' no no . . . 12016 1 2 'Sup35, component 2' 1 $Sup35 B . yes 'intrinsically disordered' no no . . . 12016 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sup35 _Entity.Sf_category entity _Entity.Sf_framecode Sup35 _Entity.Entry_ID 12016 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Sup35 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSDSNQGNNQQNYQQYSQNG NQQQGNNRYQGYQAYNAQAQ PAGGYYQNYQGYSGYQQGGY QQYNPDAGYQQQYNPQGGYQ QYNPQGGYQQQFNPQGGRGN YKNFNYNNNLQGYQAGFQPQ SQGMSLNDFQKQQKQAAPKP KKTLKLVSSSGIKLANATKK VGTKPAESDKKEEEKSAETK EPTKEPTKVEEPVKKEEKPV QTEEKTEEKSELPKVEDLKI SESTHNTNNANVTSADALIK EQEEEVDDEVVNDHHHHHHH ; _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 260 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 AFD29121.1 . Sup35 . . . . . . . . . . . . . . 12016 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Translation Termination Factor' 12016 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 . 12016 1 2 2 SER . 12016 1 3 3 ASP . 12016 1 4 4 SER . 12016 1 5 5 ASN . 12016 1 6 6 GLN . 12016 1 7 7 GLY . 12016 1 8 8 ASN . 12016 1 9 9 ASN . 12016 1 10 10 GLN . 12016 1 11 11 GLN . 12016 1 12 12 ASN . 12016 1 13 13 TYR . 12016 1 14 14 GLN . 12016 1 15 15 GLN . 12016 1 16 16 TYR . 12016 1 17 17 SER . 12016 1 18 18 GLN . 12016 1 19 19 ASN . 12016 1 20 20 GLY . 12016 1 21 21 ASN . 12016 1 22 22 GLN . 12016 1 23 23 GLN . 12016 1 24 24 GLN . 12016 1 25 25 GLY . 12016 1 26 26 ASN . 12016 1 27 27 ASN . 12016 1 28 28 ARG . 12016 1 29 29 TYR . 12016 1 30 30 GLN . 12016 1 31 31 GLY . 12016 1 32 32 TYR . 12016 1 33 33 GLN . 12016 1 34 34 ALA . 12016 1 35 35 TYR . 12016 1 36 36 ASN . 12016 1 37 37 ALA . 12016 1 38 38 GLN . 12016 1 39 39 ALA . 12016 1 40 40 GLN . 12016 1 41 41 PRO . 12016 1 42 42 ALA . 12016 1 43 43 GLY . 12016 1 44 44 GLY . 12016 1 45 45 TYR . 12016 1 46 46 TYR . 12016 1 47 47 GLN . 12016 1 48 48 ASN . 12016 1 49 49 TYR . 12016 1 50 50 GLN . 12016 1 51 51 GLY . 12016 1 52 52 TYR . 12016 1 53 53 SER . 12016 1 54 54 GLY . 12016 1 55 55 TYR . 12016 1 56 56 GLN . 12016 1 57 57 GLN . 12016 1 58 58 GLY . 12016 1 59 59 GLY . 12016 1 60 60 TYR . 12016 1 61 61 GLN . 12016 1 62 62 GLN . 12016 1 63 63 TYR . 12016 1 64 64 ASN . 12016 1 65 65 PRO . 12016 1 66 66 ASP . 12016 1 67 67 ALA . 12016 1 68 68 GLY . 12016 1 69 69 TYR . 12016 1 70 70 GLN . 12016 1 71 71 GLN . 12016 1 72 72 GLN . 12016 1 73 73 TYR . 12016 1 74 74 ASN . 12016 1 75 75 PRO . 12016 1 76 76 GLN . 12016 1 77 77 GLY . 12016 1 78 78 GLY . 12016 1 79 79 TYR . 12016 1 80 80 GLN . 12016 1 81 81 GLN . 12016 1 82 82 TYR . 12016 1 83 83 ASN . 12016 1 84 84 PRO . 12016 1 85 85 GLN . 12016 1 86 86 GLY . 12016 1 87 87 GLY . 12016 1 88 88 TYR . 12016 1 89 89 GLN . 12016 1 90 90 GLN . 12016 1 91 91 GLN . 12016 1 92 92 PHE . 12016 1 93 93 ASN . 12016 1 94 94 PRO . 12016 1 95 95 GLN . 12016 1 96 96 GLY . 12016 1 97 97 GLY . 12016 1 98 98 ARG . 12016 1 99 99 GLY . 12016 1 100 100 ASN . 12016 1 101 101 TYR . 12016 1 102 102 LYS . 12016 1 103 103 ASN . 12016 1 104 104 PHE . 12016 1 105 105 ASN . 12016 1 106 106 TYR . 12016 1 107 107 ASN . 12016 1 108 108 ASN . 12016 1 109 109 ASN . 12016 1 110 110 LEU . 12016 1 111 111 GLN . 12016 1 112 112 GLY . 12016 1 113 113 TYR . 12016 1 114 114 GLN . 12016 1 115 115 ALA . 12016 1 116 116 GLY . 12016 1 117 117 PHE . 12016 1 118 118 GLN . 12016 1 119 119 PRO . 12016 1 120 120 GLN . 12016 1 121 121 SER . 12016 1 122 122 GLN . 12016 1 123 123 GLY . 12016 1 124 124 MET . 12016 1 125 125 SER . 12016 1 126 126 LEU . 12016 1 127 127 ASN . 12016 1 128 128 ASP . 12016 1 129 129 PHE . 12016 1 130 130 GLN . 12016 1 131 131 LYS . 12016 1 132 132 GLN . 12016 1 133 133 GLN . 12016 1 134 134 LYS . 12016 1 135 135 GLN . 12016 1 136 136 ALA . 12016 1 137 137 ALA . 12016 1 138 138 PRO . 12016 1 139 139 LYS . 12016 1 140 140 PRO . 12016 1 141 141 LYS . 12016 1 142 142 LYS . 12016 1 143 143 THR . 12016 1 144 144 LEU . 12016 1 145 145 LYS . 12016 1 146 146 LEU . 12016 1 147 147 VAL . 12016 1 148 148 SER . 12016 1 149 149 SER . 12016 1 150 150 SER . 12016 1 151 151 GLY . 12016 1 152 152 ILE . 12016 1 153 153 LYS . 12016 1 154 154 LEU . 12016 1 155 155 ALA . 12016 1 156 156 ASN . 12016 1 157 157 ALA . 12016 1 158 158 THR . 12016 1 159 159 LYS . 12016 1 160 160 LYS . 12016 1 161 161 VAL . 12016 1 162 162 GLY . 12016 1 163 163 THR . 12016 1 164 164 LYS . 12016 1 165 165 PRO . 12016 1 166 166 ALA . 12016 1 167 167 GLU . 12016 1 168 168 SER . 12016 1 169 169 ASP . 12016 1 170 170 LYS . 12016 1 171 171 LYS . 12016 1 172 172 GLU . 12016 1 173 173 GLU . 12016 1 174 174 GLU . 12016 1 175 175 LYS . 12016 1 176 176 SER . 12016 1 177 177 ALA . 12016 1 178 178 GLU . 12016 1 179 179 THR . 12016 1 180 180 LYS . 12016 1 181 181 GLU . 12016 1 182 182 PRO . 12016 1 183 183 THR . 12016 1 184 184 LYS . 12016 1 185 185 GLU . 12016 1 186 186 PRO . 12016 1 187 187 THR . 12016 1 188 188 LYS . 12016 1 189 189 VAL . 12016 1 190 190 GLU . 12016 1 191 191 GLU . 12016 1 192 192 PRO . 12016 1 193 193 VAL . 12016 1 194 194 LYS . 12016 1 195 195 LYS . 12016 1 196 196 GLU . 12016 1 197 197 GLU . 12016 1 198 198 LYS . 12016 1 199 199 PRO . 12016 1 200 200 VAL . 12016 1 201 201 GLN . 12016 1 202 202 THR . 12016 1 203 203 GLU . 12016 1 204 204 GLU . 12016 1 205 205 LYS . 12016 1 206 206 THR . 12016 1 207 207 GLU . 12016 1 208 208 GLU . 12016 1 209 209 LYS . 12016 1 210 210 SER . 12016 1 211 211 GLU . 12016 1 212 212 LEU . 12016 1 213 213 PRO . 12016 1 214 214 LYS . 12016 1 215 215 VAL . 12016 1 216 216 GLU . 12016 1 217 217 ASP . 12016 1 218 218 LEU . 12016 1 219 219 LYS . 12016 1 220 220 ILE . 12016 1 221 221 SER . 12016 1 222 222 GLU . 12016 1 223 223 SER . 12016 1 224 224 THR . 12016 1 225 225 HIS . 12016 1 226 226 ASN . 12016 1 227 227 THR . 12016 1 228 228 ASN . 12016 1 229 229 ASN . 12016 1 230 230 ALA . 12016 1 231 231 ASN . 12016 1 232 232 VAL . 12016 1 233 233 THR . 12016 1 234 234 SER . 12016 1 235 235 ALA . 12016 1 236 236 ASP . 12016 1 237 237 ALA . 12016 1 238 238 LEU . 12016 1 239 239 ILE . 12016 1 240 240 LYS . 12016 1 241 241 GLU . 12016 1 242 242 GLN . 12016 1 243 243 GLU . 12016 1 244 244 GLU . 12016 1 245 245 GLU . 12016 1 246 246 VAL . 12016 1 247 247 ASP . 12016 1 248 248 ASP . 12016 1 249 249 GLU . 12016 1 250 250 VAL . 12016 1 251 251 VAL . 12016 1 252 252 ASN . 12016 1 253 253 ASP . 12016 1 254 254 HIS . 12016 1 255 255 HIS . 12016 1 256 256 HIS . 12016 1 257 257 HIS . 12016 1 258 258 HIS . 12016 1 259 259 HIS . 12016 1 260 260 HIS . 12016 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 12016 1 . SER 2 2 12016 1 . ASP 3 3 12016 1 . SER 4 4 12016 1 . ASN 5 5 12016 1 . GLN 6 6 12016 1 . GLY 7 7 12016 1 . ASN 8 8 12016 1 . ASN 9 9 12016 1 . GLN 10 10 12016 1 . GLN 11 11 12016 1 . ASN 12 12 12016 1 . TYR 13 13 12016 1 . GLN 14 14 12016 1 . GLN 15 15 12016 1 . TYR 16 16 12016 1 . SER 17 17 12016 1 . GLN 18 18 12016 1 . ASN 19 19 12016 1 . GLY 20 20 12016 1 . ASN 21 21 12016 1 . GLN 22 22 12016 1 . GLN 23 23 12016 1 . GLN 24 24 12016 1 . GLY 25 25 12016 1 . ASN 26 26 12016 1 . ASN 27 27 12016 1 . ARG 28 28 12016 1 . TYR 29 29 12016 1 . GLN 30 30 12016 1 . GLY 31 31 12016 1 . TYR 32 32 12016 1 . GLN 33 33 12016 1 . ALA 34 34 12016 1 . TYR 35 35 12016 1 . ASN 36 36 12016 1 . ALA 37 37 12016 1 . GLN 38 38 12016 1 . ALA 39 39 12016 1 . GLN 40 40 12016 1 . PRO 41 41 12016 1 . ALA 42 42 12016 1 . GLY 43 43 12016 1 . GLY 44 44 12016 1 . TYR 45 45 12016 1 . TYR 46 46 12016 1 . GLN 47 47 12016 1 . ASN 48 48 12016 1 . TYR 49 49 12016 1 . GLN 50 50 12016 1 . GLY 51 51 12016 1 . TYR 52 52 12016 1 . SER 53 53 12016 1 . GLY 54 54 12016 1 . TYR 55 55 12016 1 . GLN 56 56 12016 1 . GLN 57 57 12016 1 . GLY 58 58 12016 1 . GLY 59 59 12016 1 . TYR 60 60 12016 1 . GLN 61 61 12016 1 . GLN 62 62 12016 1 . TYR 63 63 12016 1 . ASN 64 64 12016 1 . PRO 65 65 12016 1 . ASP 66 66 12016 1 . ALA 67 67 12016 1 . GLY 68 68 12016 1 . TYR 69 69 12016 1 . GLN 70 70 12016 1 . GLN 71 71 12016 1 . GLN 72 72 12016 1 . TYR 73 73 12016 1 . ASN 74 74 12016 1 . PRO 75 75 12016 1 . GLN 76 76 12016 1 . GLY 77 77 12016 1 . GLY 78 78 12016 1 . TYR 79 79 12016 1 . GLN 80 80 12016 1 . GLN 81 81 12016 1 . TYR 82 82 12016 1 . ASN 83 83 12016 1 . PRO 84 84 12016 1 . GLN 85 85 12016 1 . GLY 86 86 12016 1 . GLY 87 87 12016 1 . TYR 88 88 12016 1 . GLN 89 89 12016 1 . GLN 90 90 12016 1 . GLN 91 91 12016 1 . PHE 92 92 12016 1 . ASN 93 93 12016 1 . PRO 94 94 12016 1 . GLN 95 95 12016 1 . GLY 96 96 12016 1 . GLY 97 97 12016 1 . ARG 98 98 12016 1 . GLY 99 99 12016 1 . ASN 100 100 12016 1 . TYR 101 101 12016 1 . LYS 102 102 12016 1 . ASN 103 103 12016 1 . PHE 104 104 12016 1 . ASN 105 105 12016 1 . TYR 106 106 12016 1 . ASN 107 107 12016 1 . ASN 108 108 12016 1 . ASN 109 109 12016 1 . LEU 110 110 12016 1 . GLN 111 111 12016 1 . GLY 112 112 12016 1 . TYR 113 113 12016 1 . GLN 114 114 12016 1 . ALA 115 115 12016 1 . GLY 116 116 12016 1 . PHE 117 117 12016 1 . GLN 118 118 12016 1 . PRO 119 119 12016 1 . GLN 120 120 12016 1 . SER 121 121 12016 1 . GLN 122 122 12016 1 . GLY 123 123 12016 1 . MET 124 124 12016 1 . SER 125 125 12016 1 . LEU 126 126 12016 1 . ASN 127 127 12016 1 . ASP 128 128 12016 1 . PHE 129 129 12016 1 . GLN 130 130 12016 1 . LYS 131 131 12016 1 . GLN 132 132 12016 1 . GLN 133 133 12016 1 . LYS 134 134 12016 1 . GLN 135 135 12016 1 . ALA 136 136 12016 1 . ALA 137 137 12016 1 . PRO 138 138 12016 1 . LYS 139 139 12016 1 . PRO 140 140 12016 1 . LYS 141 141 12016 1 . LYS 142 142 12016 1 . THR 143 143 12016 1 . LEU 144 144 12016 1 . LYS 145 145 12016 1 . LEU 146 146 12016 1 . VAL 147 147 12016 1 . SER 148 148 12016 1 . SER 149 149 12016 1 . SER 150 150 12016 1 . GLY 151 151 12016 1 . ILE 152 152 12016 1 . LYS 153 153 12016 1 . LEU 154 154 12016 1 . ALA 155 155 12016 1 . ASN 156 156 12016 1 . ALA 157 157 12016 1 . THR 158 158 12016 1 . LYS 159 159 12016 1 . LYS 160 160 12016 1 . VAL 161 161 12016 1 . GLY 162 162 12016 1 . THR 163 163 12016 1 . LYS 164 164 12016 1 . PRO 165 165 12016 1 . ALA 166 166 12016 1 . GLU 167 167 12016 1 . SER 168 168 12016 1 . ASP 169 169 12016 1 . LYS 170 170 12016 1 . LYS 171 171 12016 1 . GLU 172 172 12016 1 . GLU 173 173 12016 1 . GLU 174 174 12016 1 . LYS 175 175 12016 1 . SER 176 176 12016 1 . ALA 177 177 12016 1 . GLU 178 178 12016 1 . THR 179 179 12016 1 . LYS 180 180 12016 1 . GLU 181 181 12016 1 . PRO 182 182 12016 1 . THR 183 183 12016 1 . LYS 184 184 12016 1 . GLU 185 185 12016 1 . PRO 186 186 12016 1 . THR 187 187 12016 1 . LYS 188 188 12016 1 . VAL 189 189 12016 1 . GLU 190 190 12016 1 . GLU 191 191 12016 1 . PRO 192 192 12016 1 . VAL 193 193 12016 1 . LYS 194 194 12016 1 . LYS 195 195 12016 1 . GLU 196 196 12016 1 . GLU 197 197 12016 1 . LYS 198 198 12016 1 . PRO 199 199 12016 1 . VAL 200 200 12016 1 . GLN 201 201 12016 1 . THR 202 202 12016 1 . GLU 203 203 12016 1 . GLU 204 204 12016 1 . LYS 205 205 12016 1 . THR 206 206 12016 1 . GLU 207 207 12016 1 . GLU 208 208 12016 1 . LYS 209 209 12016 1 . SER 210 210 12016 1 . GLU 211 211 12016 1 . LEU 212 212 12016 1 . PRO 213 213 12016 1 . LYS 214 214 12016 1 . VAL 215 215 12016 1 . GLU 216 216 12016 1 . ASP 217 217 12016 1 . LEU 218 218 12016 1 . LYS 219 219 12016 1 . ILE 220 220 12016 1 . SER 221 221 12016 1 . GLU 222 222 12016 1 . SER 223 223 12016 1 . THR 224 224 12016 1 . HIS 225 225 12016 1 . ASN 226 226 12016 1 . THR 227 227 12016 1 . ASN 228 228 12016 1 . ASN 229 229 12016 1 . ALA 230 230 12016 1 . ASN 231 231 12016 1 . VAL 232 232 12016 1 . THR 233 233 12016 1 . SER 234 234 12016 1 . ALA 235 235 12016 1 . ASP 236 236 12016 1 . ALA 237 237 12016 1 . LEU 238 238 12016 1 . ILE 239 239 12016 1 . LYS 240 240 12016 1 . GLU 241 241 12016 1 . GLN 242 242 12016 1 . GLU 243 243 12016 1 . GLU 244 244 12016 1 . GLU 245 245 12016 1 . VAL 246 246 12016 1 . ASP 247 247 12016 1 . ASP 248 248 12016 1 . GLU 249 249 12016 1 . VAL 250 250 12016 1 . VAL 251 251 12016 1 . ASN 252 252 12016 1 . ASP 253 253 12016 1 . HIS 254 254 12016 1 . HIS 255 255 12016 1 . HIS 256 256 12016 1 . HIS 257 257 12016 1 . HIS 258 258 12016 1 . HIS 259 259 12016 1 . HIS 260 260 12016 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 12016 _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 $Sup35 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 12016 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 12016 _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 $Sup35 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pET29b . . . 12016 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 12016 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Sup35 '[U-95% 15N]' 1 $assembly 1 $Sup35 . protein 100 . . uM . . . . 12016 1 2 MES 'natural abundance' . . . . . buffer 50 . . mM . . . . 12016 1 3 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 12016 1 4 D2O '[U-99% 2H]' . . . . . solvent 10 . . % . . . . 12016 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 12016 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 12016 1 pH 5.2 . pH 12016 1 pressure 1 . atm 12016 1 temperature 310.15 . K 12016 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 12016 _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 https://www.cgl.ucsf.edu/home/sparky . 12016 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 12016 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 12016 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 12016 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 12016 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 12016 _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 . . . . . . . . . . . . . . . . 12016 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 12016 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 0.00 internal direct 1.000000000 . . . . . 12016 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 12016 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 12016 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 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' 1 $sample_1 isotropic 12016 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 4 4 SER H H 1 8.422 0.01 . 1 . . . . . 4 SER H . 12016 1 2 . 1 1 4 4 SER N N 15 116.337 0.1 . 1 . . . . . 4 SER N . 12016 1 3 . 1 1 5 5 ASN H H 1 8.507 0.01 . 1 . . . . . 5 ASN H . 12016 1 4 . 1 1 5 5 ASN N N 15 120.643 0.1 . 1 . . . . . 5 ASN N . 12016 1 5 . 1 1 6 6 GLN H H 1 8.291 0.01 . 1 . . . . . 6 GLN H . 12016 1 6 . 1 1 6 6 GLN N N 15 120.210 0.1 . 1 . . . . . 6 GLN N . 12016 1 7 . 1 1 7 7 GLY H H 1 8.384 0.01 . 1 . . . . . 7 GLY H . 12016 1 8 . 1 1 7 7 GLY N N 15 109.343 0.1 . 1 . . . . . 7 GLY N . 12016 1 9 . 1 1 8 8 ASN H H 1 8.269 0.01 . 1 . . . . . 8 ASN H . 12016 1 10 . 1 1 8 8 ASN N N 15 118.574 0.1 . 1 . . . . . 8 ASN N . 12016 1 11 . 1 1 9 9 ASN H H 1 8.419 0.01 . 1 . . . . . 9 ASN H . 12016 1 12 . 1 1 9 9 ASN N N 15 119.142 0.1 . 1 . . . . . 9 ASN N . 12016 1 13 . 1 1 10 10 GLN H H 1 8.318 0.01 . 1 . . . . . 10 GLN H . 12016 1 14 . 1 1 10 10 GLN N N 15 120.074 0.1 . 1 . . . . . 10 GLN N . 12016 1 15 . 1 1 11 11 GLN H H 1 8.321 0.01 . 1 . . . . . 11 GLN H . 12016 1 16 . 1 1 11 11 GLN N N 15 120.442 0.1 . 1 . . . . . 11 GLN N . 12016 1 17 . 1 1 12 12 ASN H H 1 8.304 0.01 . 1 . . . . . 12 ASN H . 12016 1 18 . 1 1 12 12 ASN N N 15 119.204 0.1 . 1 . . . . . 12 ASN N . 12016 1 19 . 1 1 13 13 TYR H H 1 8.060 0.01 . 1 . . . . . 13 TYR H . 12016 1 20 . 1 1 13 13 TYR N N 15 120.569 0.1 . 1 . . . . . 13 TYR N . 12016 1 21 . 1 1 15 15 GLN H H 1 8.166 0.01 . 1 . . . . . 15 GLN H . 12016 1 22 . 1 1 15 15 GLN N N 15 120.640 0.1 . 1 . . . . . 15 GLN N . 12016 1 23 . 1 1 16 16 TYR H H 1 8.092 0.01 . 1 . . . . . 16 TYR H . 12016 1 24 . 1 1 16 16 TYR N N 15 120.510 0.1 . 1 . . . . . 16 TYR N . 12016 1 25 . 1 1 17 17 SER H H 1 8.113 0.01 . 1 . . . . . 17 SER H . 12016 1 26 . 1 1 17 17 SER N N 15 116.835 0.1 . 1 . . . . . 17 SER N . 12016 1 27 . 1 1 19 19 ASN H H 1 8.360 0.01 . 1 . . . . . 19 ASN H . 12016 1 28 . 1 1 19 19 ASN N N 15 119.037 0.1 . 1 . . . . . 19 ASN N . 12016 1 29 . 1 1 20 20 GLY H H 1 8.306 0.01 . 1 . . . . . 20 GLY H . 12016 1 30 . 1 1 20 20 GLY N N 15 109.104 0.1 . 1 . . . . . 20 GLY N . 12016 1 31 . 1 1 21 21 ASN H H 1 8.285 0.01 . 1 . . . . . 21 ASN H . 12016 1 32 . 1 1 21 21 ASN N N 15 118.580 0.1 . 1 . . . . . 21 ASN N . 12016 1 33 . 1 1 22 22 GLN H H 1 8.366 0.01 . 1 . . . . . 22 GLN H . 12016 1 34 . 1 1 22 22 GLN N N 15 120.335 0.1 . 1 . . . . . 22 GLN N . 12016 1 35 . 1 1 23 23 GLN H H 1 8.352 0.01 . 1 . . . . . 23 GLN H . 12016 1 36 . 1 1 23 23 GLN N N 15 120.780 0.1 . 1 . . . . . 23 GLN N . 12016 1 37 . 1 1 24 24 GLN H H 1 8.353 0.01 . 1 . . . . . 24 GLN H . 12016 1 38 . 1 1 24 24 GLN N N 15 120.993 0.1 . 1 . . . . . 24 GLN N . 12016 1 39 . 1 1 25 25 GLY H H 1 8.382 0.01 . 1 . . . . . 25 GLY H . 12016 1 40 . 1 1 25 25 GLY N N 15 109.609 0.1 . 1 . . . . . 25 GLY N . 12016 1 41 . 1 1 26 26 ASN H H 1 8.301 0.01 . 1 . . . . . 26 ASN H . 12016 1 42 . 1 1 26 26 ASN N N 15 118.575 0.1 . 1 . . . . . 26 ASN N . 12016 1 43 . 1 1 27 27 ASN H H 1 8.370 0.01 . 1 . . . . . 27 ASN H . 12016 1 44 . 1 1 27 27 ASN N N 15 119.068 0.1 . 1 . . . . . 27 ASN N . 12016 1 45 . 1 1 28 28 ARG H H 1 8.146 0.01 . 1 . . . . . 28 ARG H . 12016 1 46 . 1 1 28 28 ARG N N 15 120.613 0.1 . 1 . . . . . 28 ARG N . 12016 1 47 . 1 1 29 29 TYR H H 1 8.094 0.01 . 1 . . . . . 29 TYR H . 12016 1 48 . 1 1 29 29 TYR N N 15 120.464 0.1 . 1 . . . . . 29 TYR N . 12016 1 49 . 1 1 30 30 GLN H H 1 8.182 0.01 . 1 . . . . . 30 GLN H . 12016 1 50 . 1 1 30 30 GLN N N 15 122.140 0.1 . 1 . . . . . 30 GLN N . 12016 1 51 . 1 1 31 31 GLY H H 1 7.882 0.01 . 1 . . . . . 31 GLY H . 12016 1 52 . 1 1 31 31 GLY N N 15 109.170 0.1 . 1 . . . . . 31 GLY N . 12016 1 53 . 1 1 32 32 TYR H H 1 7.977 0.01 . 1 . . . . . 32 TYR H . 12016 1 54 . 1 1 32 32 TYR N N 15 120.036 0.1 . 1 . . . . . 32 TYR N . 12016 1 55 . 1 1 33 33 GLN H H 1 8.147 0.01 . 1 . . . . . 33 GLN H . 12016 1 56 . 1 1 33 33 GLN N N 15 122.428 0.1 . 1 . . . . . 33 GLN N . 12016 1 57 . 1 1 34 34 ALA H H 1 8.062 0.01 . 1 . . . . . 34 ALA H . 12016 1 58 . 1 1 34 34 ALA N N 15 124.647 0.1 . 1 . . . . . 34 ALA N . 12016 1 59 . 1 1 35 35 TYR H H 1 8.003 0.01 . 1 . . . . . 35 TYR H . 12016 1 60 . 1 1 35 35 TYR N N 15 119.060 0.1 . 1 . . . . . 35 TYR N . 12016 1 61 . 1 1 36 36 ASN H H 1 8.131 0.01 . 1 . . . . . 36 ASN H . 12016 1 62 . 1 1 36 36 ASN N N 15 120.862 0.1 . 1 . . . . . 36 ASN N . 12016 1 63 . 1 1 37 37 ALA H H 1 8.115 0.01 . 1 . . . . . 37 ALA H . 12016 1 64 . 1 1 37 37 ALA N N 15 124.456 0.1 . 1 . . . . . 37 ALA N . 12016 1 65 . 1 1 38 38 GLN H H 1 8.121 0.01 . 1 . . . . . 38 GLN H . 12016 1 66 . 1 1 38 38 GLN N N 15 117.895 0.1 . 1 . . . . . 38 GLN N . 12016 1 67 . 1 1 39 39 ALA H H 1 8.032 0.01 . 1 . . . . . 39 ALA H . 12016 1 68 . 1 1 39 39 ALA N N 15 124.289 0.1 . 1 . . . . . 39 ALA N . 12016 1 69 . 1 1 40 40 GLN H H 1 8.149 0.01 . 1 . . . . . 40 GLN H . 12016 1 70 . 1 1 40 40 GLN N N 15 120.048 0.1 . 1 . . . . . 40 GLN N . 12016 1 71 . 1 1 42 42 ALA H H 1 8.373 0.01 . 1 . . . . . 42 ALA H . 12016 1 72 . 1 1 42 42 ALA N N 15 124.376 0.1 . 1 . . . . . 42 ALA N . 12016 1 73 . 1 1 43 43 GLY H H 1 8.299 0.01 . 1 . . . . . 43 GLY H . 12016 1 74 . 1 1 43 43 GLY N N 15 107.953 0.1 . 1 . . . . . 43 GLY N . 12016 1 75 . 1 1 44 44 GLY H H 1 8.079 0.01 . 1 . . . . . 44 GLY H . 12016 1 76 . 1 1 44 44 GLY N N 15 108.071 0.1 . 1 . . . . . 44 GLY N . 12016 1 77 . 1 1 45 45 TYR H H 1 7.946 0.01 . 1 . . . . . 45 TYR H . 12016 1 78 . 1 1 45 45 TYR N N 15 119.752 0.1 . 1 . . . . . 45 TYR N . 12016 1 79 . 1 1 46 46 TYR H H 1 8.022 0.01 . 1 . . . . . 46 TYR H . 12016 1 80 . 1 1 46 46 TYR N N 15 120.971 0.1 . 1 . . . . . 46 TYR N . 12016 1 81 . 1 1 47 47 GLN H H 1 8.056 0.01 . 1 . . . . . 47 GLN H . 12016 1 82 . 1 1 47 47 GLN N N 15 121.120 0.1 . 1 . . . . . 47 GLN N . 12016 1 83 . 1 1 48 48 ASN H H 1 8.208 0.01 . 1 . . . . . 48 ASN H . 12016 1 84 . 1 1 48 48 ASN N N 15 118.999 0.1 . 1 . . . . . 48 ASN N . 12016 1 85 . 1 1 51 51 GLY H H 1 7.801 0.01 . 1 . . . . . 51 GLY H . 12016 1 86 . 1 1 51 51 GLY N N 15 108.774 0.1 . 1 . . . . . 51 GLY N . 12016 1 87 . 1 1 52 52 TYR H H 1 7.953 0.01 . 1 . . . . . 52 TYR H . 12016 1 88 . 1 1 52 52 TYR N N 15 120.065 0.1 . 1 . . . . . 52 TYR N . 12016 1 89 . 1 1 53 53 SER H H 1 8.264 0.01 . 1 . . . . . 53 SER H . 12016 1 90 . 1 1 53 53 SER N N 15 118.012 0.1 . 1 . . . . . 53 SER N . 12016 1 91 . 1 1 54 54 GLY H H 1 7.754 0.01 . 1 . . . . . 54 GLY H . 12016 1 92 . 1 1 54 54 GLY N N 15 109.832 0.1 . 1 . . . . . 54 GLY N . 12016 1 93 . 1 1 55 55 TYR H H 1 7.933 0.01 . 1 . . . . . 55 TYR H . 12016 1 94 . 1 1 55 55 TYR N N 15 119.918 0.1 . 1 . . . . . 55 TYR N . 12016 1 95 . 1 1 56 56 GLN H H 1 8.182 0.01 . 1 . . . . . 56 GLN H . 12016 1 96 . 1 1 56 56 GLN N N 15 122.140 0.1 . 1 . . . . . 56 GLN N . 12016 1 97 . 1 1 57 57 GLN H H 1 8.262 0.01 . 1 . . . . . 57 GLN H . 12016 1 98 . 1 1 57 57 GLN N N 15 121.270 0.1 . 1 . . . . . 57 GLN N . 12016 1 99 . 1 1 58 58 GLY H H 1 8.338 0.01 . 1 . . . . . 58 GLY H . 12016 1 100 . 1 1 58 58 GLY N N 15 109.865 0.1 . 1 . . . . . 58 GLY N . 12016 1 101 . 1 1 59 59 GLY H H 1 8.143 0.01 . 1 . . . . . 59 GLY H . 12016 1 102 . 1 1 59 59 GLY N N 15 108.348 0.1 . 1 . . . . . 59 GLY N . 12016 1 103 . 1 1 60 60 TYR H H 1 8.029 0.01 . 1 . . . . . 60 TYR H . 12016 1 104 . 1 1 60 60 TYR N N 15 119.892 0.1 . 1 . . . . . 60 TYR N . 12016 1 105 . 1 1 61 61 GLN H H 1 8.216 0.01 . 1 . . . . . 61 GLN H . 12016 1 106 . 1 1 61 61 GLN N N 15 121.843 0.1 . 1 . . . . . 61 GLN N . 12016 1 107 . 1 1 63 63 TYR H H 1 8.155 0.01 . 1 . . . . . 63 TYR H . 12016 1 108 . 1 1 63 63 TYR N N 15 121.566 0.1 . 1 . . . . . 63 TYR N . 12016 1 109 . 1 1 64 64 ASN H H 1 8.186 0.01 . 1 . . . . . 64 ASN H . 12016 1 110 . 1 1 64 64 ASN N N 15 122.645 0.1 . 1 . . . . . 64 ASN N . 12016 1 111 . 1 1 66 66 ASP H H 1 8.061 0.01 . 1 . . . . . 66 ASP H . 12016 1 112 . 1 1 66 66 ASP N N 15 118.756 0.1 . 1 . . . . . 66 ASP N . 12016 1 113 . 1 1 67 67 ALA H H 1 7.859 0.01 . 1 . . . . . 67 ALA H . 12016 1 114 . 1 1 67 67 ALA N N 15 123.536 0.1 . 1 . . . . . 67 ALA N . 12016 1 115 . 1 1 68 68 GLY H H 1 8.227 0.01 . 1 . . . . . 68 GLY H . 12016 1 116 . 1 1 68 68 GLY N N 15 106.923 0.1 . 1 . . . . . 68 GLY N . 12016 1 117 . 1 1 69 69 TYR H H 1 7.905 0.01 . 1 . . . . . 69 TYR H . 12016 1 118 . 1 1 69 69 TYR N N 15 119.977 0.1 . 1 . . . . . 69 TYR N . 12016 1 119 . 1 1 72 72 GLN H H 1 8.241 0.01 . 1 . . . . . 72 GLN H . 12016 1 120 . 1 1 72 72 GLN N N 15 120.487 0.1 . 1 . . . . . 72 GLN N . 12016 1 121 . 1 1 73 73 TYR H H 1 8.151 0.01 . 1 . . . . . 73 TYR H . 12016 1 122 . 1 1 73 73 TYR N N 15 121.207 0.1 . 1 . . . . . 73 TYR N . 12016 1 123 . 1 1 74 74 ASN H H 1 8.212 0.01 . 1 . . . . . 74 ASN H . 12016 1 124 . 1 1 74 74 ASN N N 15 122.197 0.1 . 1 . . . . . 74 ASN N . 12016 1 125 . 1 1 76 76 GLN H H 1 8.239 0.01 . 1 . . . . . 76 GLN H . 12016 1 126 . 1 1 76 76 GLN N N 15 118.728 0.1 . 1 . . . . . 76 GLN N . 12016 1 127 . 1 1 77 77 GLY H H 1 8.127 0.01 . 1 . . . . . 77 GLY H . 12016 1 128 . 1 1 77 77 GLY N N 15 108.983 0.1 . 1 . . . . . 77 GLY N . 12016 1 129 . 1 1 78 78 GLY H H 1 8.108 0.01 . 1 . . . . . 78 GLY H . 12016 1 130 . 1 1 78 78 GLY N N 15 108.318 0.1 . 1 . . . . . 78 GLY N . 12016 1 131 . 1 1 79 79 TYR H H 1 8.053 0.01 . 1 . . . . . 79 TYR H . 12016 1 132 . 1 1 79 79 TYR N N 15 120.061 0.1 . 1 . . . . . 79 TYR N . 12016 1 133 . 1 1 80 80 GLN H H 1 8.195 0.01 . 1 . . . . . 80 GLN H . 12016 1 134 . 1 1 80 80 GLN N N 15 121.393 0.1 . 1 . . . . . 80 GLN N . 12016 1 135 . 1 1 81 81 GLN H H 1 8.200 0.01 . 1 . . . . . 81 GLN H . 12016 1 136 . 1 1 81 81 GLN N N 15 120.672 0.1 . 1 . . . . . 81 GLN N . 12016 1 137 . 1 1 82 82 TYR H H 1 8.167 0.01 . 1 . . . . . 82 TYR H . 12016 1 138 . 1 1 82 82 TYR N N 15 121.438 0.1 . 1 . . . . . 82 TYR N . 12016 1 139 . 1 1 83 83 ASN H H 1 8.221 0.01 . 1 . . . . . 83 ASN H . 12016 1 140 . 1 1 83 83 ASN N N 15 122.390 0.1 . 1 . . . . . 83 ASN N . 12016 1 141 . 1 1 85 85 GLN H H 1 8.239 0.01 . 1 . . . . . 85 GLN H . 12016 1 142 . 1 1 85 85 GLN N N 15 118.728 0.1 . 1 . . . . . 85 GLN N . 12016 1 143 . 1 1 86 86 GLY H H 1 8.127 0.01 . 1 . . . . . 86 GLY H . 12016 1 144 . 1 1 86 86 GLY N N 15 108.983 0.1 . 1 . . . . . 86 GLY N . 12016 1 145 . 1 1 87 87 GLY H H 1 8.108 0.01 . 1 . . . . . 87 GLY H . 12016 1 146 . 1 1 87 87 GLY N N 15 108.318 0.1 . 1 . . . . . 87 GLY N . 12016 1 147 . 1 1 88 88 TYR H H 1 8.007 0.01 . 1 . . . . . 88 TYR H . 12016 1 148 . 1 1 88 88 TYR N N 15 119.862 0.1 . 1 . . . . . 88 TYR N . 12016 1 149 . 1 1 89 89 GLN H H 1 8.244 0.01 . 1 . . . . . 89 GLN H . 12016 1 150 . 1 1 89 89 GLN N N 15 121.903 0.1 . 1 . . . . . 89 GLN N . 12016 1 151 . 1 1 90 90 GLN H H 1 8.218 0.01 . 1 . . . . . 90 GLN H . 12016 1 152 . 1 1 90 90 GLN N N 15 120.943 0.1 . 1 . . . . . 90 GLN N . 12016 1 153 . 1 1 91 91 GLN H H 1 8.253 0.01 . 1 . . . . . 91 GLN H . 12016 1 154 . 1 1 91 91 GLN N N 15 120.624 0.1 . 1 . . . . . 91 GLN N . 12016 1 155 . 1 1 92 92 PHE H H 1 8.174 0.01 . 1 . . . . . 92 PHE H . 12016 1 156 . 1 1 92 92 PHE N N 15 120.987 0.1 . 1 . . . . . 92 PHE N . 12016 1 157 . 1 1 93 93 ASN H H 1 8.263 0.01 . 1 . . . . . 93 ASN H . 12016 1 158 . 1 1 93 93 ASN N N 15 121.706 0.1 . 1 . . . . . 93 ASN N . 12016 1 159 . 1 1 95 95 GLN H H 1 8.291 0.01 . 1 . . . . . 95 GLN H . 12016 1 160 . 1 1 95 95 GLN N N 15 118.884 0.1 . 1 . . . . . 95 GLN N . 12016 1 161 . 1 1 96 96 GLY H H 1 8.180 0.01 . 1 . . . . . 96 GLY H . 12016 1 162 . 1 1 96 96 GLY N N 15 109.106 0.1 . 1 . . . . . 96 GLY N . 12016 1 163 . 1 1 97 97 GLY H H 1 8.175 0.01 . 1 . . . . . 97 GLY H . 12016 1 164 . 1 1 97 97 GLY N N 15 108.462 0.1 . 1 . . . . . 97 GLY N . 12016 1 165 . 1 1 98 98 ARG H H 1 8.211 0.01 . 1 . . . . . 98 ARG H . 12016 1 166 . 1 1 98 98 ARG N N 15 120.100 0.1 . 1 . . . . . 98 ARG N . 12016 1 167 . 1 1 99 99 GLY H H 1 8.349 0.01 . 1 . . . . . 99 GLY H . 12016 1 168 . 1 1 99 99 GLY N N 15 109.172 0.1 . 1 . . . . . 99 GLY N . 12016 1 169 . 1 1 100 100 ASN H H 1 8.186 0.01 . 1 . . . . . 100 ASN H . 12016 1 170 . 1 1 100 100 ASN N N 15 118.619 0.1 . 1 . . . . . 100 ASN N . 12016 1 171 . 1 1 101 101 TYR H H 1 8.050 0.01 . 1 . . . . . 101 TYR H . 12016 1 172 . 1 1 101 101 TYR N N 15 120.598 0.1 . 1 . . . . . 101 TYR N . 12016 1 173 . 1 1 102 102 LYS H H 1 8.079 0.01 . 1 . . . . . 102 LYS H . 12016 1 174 . 1 1 102 102 LYS N N 15 122.112 0.1 . 1 . . . . . 102 LYS N . 12016 1 175 . 1 1 103 103 ASN H H 1 8.127 0.01 . 1 . . . . . 103 ASN H . 12016 1 176 . 1 1 103 103 ASN N N 15 118.674 0.1 . 1 . . . . . 103 ASN N . 12016 1 177 . 1 1 104 104 PHE H H 1 8.050 0.01 . 1 . . . . . 104 PHE H . 12016 1 178 . 1 1 104 104 PHE N N 15 120.598 0.1 . 1 . . . . . 104 PHE N . 12016 1 179 . 1 1 105 105 ASN H H 1 8.186 0.01 . 1 . . . . . 105 ASN H . 12016 1 180 . 1 1 105 105 ASN N N 15 120.062 0.1 . 1 . . . . . 105 ASN N . 12016 1 181 . 1 1 106 106 TYR H H 1 7.984 0.01 . 1 . . . . . 106 TYR H . 12016 1 182 . 1 1 106 106 TYR N N 15 120.795 0.1 . 1 . . . . . 106 TYR N . 12016 1 183 . 1 1 107 107 ASN H H 1 8.232 0.01 . 1 . . . . . 107 ASN H . 12016 1 184 . 1 1 107 107 ASN N N 15 119.654 0.1 . 1 . . . . . 107 ASN N . 12016 1 185 . 1 1 108 108 ASN H H 1 8.206 0.01 . 1 . . . . . 108 ASN H . 12016 1 186 . 1 1 108 108 ASN N N 15 118.906 0.1 . 1 . . . . . 108 ASN N . 12016 1 187 . 1 1 109 109 ASN H H 1 8.309 0.01 . 1 . . . . . 109 ASN H . 12016 1 188 . 1 1 109 109 ASN N N 15 118.400 0.1 . 1 . . . . . 109 ASN N . 12016 1 189 . 1 1 110 110 LEU H H 1 8.078 0.01 . 1 . . . . . 110 LEU H . 12016 1 190 . 1 1 110 110 LEU N N 15 121.652 0.1 . 1 . . . . . 110 LEU N . 12016 1 191 . 1 1 111 111 GLN H H 1 8.223 0.01 . 1 . . . . . 111 GLN H . 12016 1 192 . 1 1 111 111 GLN N N 15 119.873 0.1 . 1 . . . . . 111 GLN N . 12016 1 193 . 1 1 112 112 GLY H H 1 8.238 0.01 . 1 . . . . . 112 GLY H . 12016 1 194 . 1 1 112 112 GLY N N 15 109.213 0.1 . 1 . . . . . 112 GLY N . 12016 1 195 . 1 1 113 113 TYR H H 1 7.978 0.01 . 1 . . . . . 113 TYR H . 12016 1 196 . 1 1 113 113 TYR N N 15 120.138 0.1 . 1 . . . . . 113 TYR N . 12016 1 197 . 1 1 114 114 GLN H H 1 8.192 0.01 . 1 . . . . . 114 GLN H . 12016 1 198 . 1 1 114 114 GLN N N 15 122.453 0.1 . 1 . . . . . 114 GLN N . 12016 1 199 . 1 1 115 115 ALA H H 1 8.142 0.01 . 1 . . . . . 115 ALA H . 12016 1 200 . 1 1 115 115 ALA N N 15 124.895 0.1 . 1 . . . . . 115 ALA N . 12016 1 201 . 1 1 116 116 GLY H H 1 8.227 0.01 . 1 . . . . . 116 GLY H . 12016 1 202 . 1 1 116 116 GLY N N 15 107.616 0.1 . 1 . . . . . 116 GLY N . 12016 1 203 . 1 1 117 117 PHE H H 1 7.977 0.01 . 1 . . . . . 117 PHE H . 12016 1 204 . 1 1 117 117 PHE N N 15 120.036 0.1 . 1 . . . . . 117 PHE N . 12016 1 205 . 1 1 118 118 GLN H H 1 8.129 0.01 . 1 . . . . . 118 GLN H . 12016 1 206 . 1 1 118 118 GLN N N 15 123.629 0.1 . 1 . . . . . 118 GLN N . 12016 1 207 . 1 1 120 120 GLN H H 1 8.496 0.01 . 1 . . . . . 120 GLN H . 12016 1 208 . 1 1 120 120 GLN N N 15 119.995 0.1 . 1 . . . . . 120 GLN N . 12016 1 209 . 1 1 121 121 SER H H 1 8.246 0.01 . 1 . . . . . 121 SER H . 12016 1 210 . 1 1 121 121 SER N N 15 116.531 0.1 . 1 . . . . . 121 SER N . 12016 1 211 . 1 1 122 122 GLN H H 1 8.385 0.01 . 1 . . . . . 122 GLN H . 12016 1 212 . 1 1 122 122 GLN N N 15 121.854 0.1 . 1 . . . . . 122 GLN N . 12016 1 213 . 1 1 123 123 GLY H H 1 8.382 0.01 . 1 . . . . . 123 GLY H . 12016 1 214 . 1 1 123 123 GLY N N 15 109.609 0.1 . 1 . . . . . 123 GLY N . 12016 1 215 . 1 1 124 124 MET H H 1 8.132 0.01 . 1 . . . . . 124 MET H . 12016 1 216 . 1 1 124 124 MET N N 15 119.760 0.1 . 1 . . . . . 124 MET N . 12016 1 217 . 1 1 125 125 SER H H 1 8.491 0.01 . 1 . . . . . 125 SER H . 12016 1 218 . 1 1 125 125 SER N N 15 117.489 0.1 . 1 . . . . . 125 SER N . 12016 1 219 . 1 1 126 126 LEU H H 1 8.360 0.01 . 1 . . . . . 126 LEU H . 12016 1 220 . 1 1 126 126 LEU N N 15 124.037 0.1 . 1 . . . . . 126 LEU N . 12016 1 221 . 1 1 127 127 ASN H H 1 8.327 0.01 . 1 . . . . . 127 ASN H . 12016 1 222 . 1 1 127 127 ASN N N 15 118.136 0.1 . 1 . . . . . 127 ASN N . 12016 1 223 . 1 1 128 128 ASP H H 1 8.103 0.01 . 1 . . . . . 128 ASP H . 12016 1 224 . 1 1 128 128 ASP N N 15 120.129 0.1 . 1 . . . . . 128 ASP N . 12016 1 225 . 1 1 129 129 PHE H H 1 8.146 0.01 . 1 . . . . . 129 PHE H . 12016 1 226 . 1 1 129 129 PHE N N 15 120.613 0.1 . 1 . . . . . 129 PHE N . 12016 1 227 . 1 1 130 130 GLN H H 1 8.243 0.01 . 1 . . . . . 130 GLN H . 12016 1 228 . 1 1 130 130 GLN N N 15 119.553 0.1 . 1 . . . . . 130 GLN N . 12016 1 229 . 1 1 131 131 LYS H H 1 7.922 0.01 . 1 . . . . . 131 LYS H . 12016 1 230 . 1 1 131 131 LYS N N 15 120.341 0.1 . 1 . . . . . 131 LYS N . 12016 1 231 . 1 1 132 132 GLN H H 1 8.072 0.01 . 1 . . . . . 132 GLN H . 12016 1 232 . 1 1 132 132 GLN N N 15 119.493 0.1 . 1 . . . . . 132 GLN N . 12016 1 233 . 1 1 136 136 ALA H H 1 8.235 0.01 . 1 . . . . . 136 ALA H . 12016 1 234 . 1 1 136 136 ALA N N 15 125.556 0.1 . 1 . . . . . 136 ALA N . 12016 1 235 . 1 1 137 137 ALA H H 1 8.191 0.01 . 1 . . . . . 137 ALA H . 12016 1 236 . 1 1 137 137 ALA N N 15 124.855 0.1 . 1 . . . . . 137 ALA N . 12016 1 237 . 1 1 139 139 LYS H H 1 8.347 0.01 . 1 . . . . . 139 LYS H . 12016 1 238 . 1 1 139 139 LYS N N 15 122.729 0.1 . 1 . . . . . 139 LYS N . 12016 1 239 . 1 1 141 141 LYS H H 1 8.385 0.01 . 1 . . . . . 141 LYS H . 12016 1 240 . 1 1 141 141 LYS N N 15 122.061 0.1 . 1 . . . . . 141 LYS N . 12016 1 241 . 1 1 142 142 LYS H H 1 8.337 0.01 . 1 . . . . . 142 LYS H . 12016 1 242 . 1 1 142 142 LYS N N 15 122.867 0.1 . 1 . . . . . 142 LYS N . 12016 1 243 . 1 1 143 143 THR H H 1 8.215 0.01 . 1 . . . . . 143 THR H . 12016 1 244 . 1 1 143 143 THR N N 15 116.805 0.1 . 1 . . . . . 143 THR N . 12016 1 245 . 1 1 144 144 LEU H H 1 8.291 0.01 . 1 . . . . . 144 LEU H . 12016 1 246 . 1 1 144 144 LEU N N 15 125.579 0.1 . 1 . . . . . 144 LEU N . 12016 1 247 . 1 1 145 145 LYS H H 1 8.291 0.01 . 1 . . . . . 145 LYS H . 12016 1 248 . 1 1 145 145 LYS N N 15 123.042 0.1 . 1 . . . . . 145 LYS N . 12016 1 249 . 1 1 146 146 LEU H H 1 8.260 0.01 . 1 . . . . . 146 LEU H . 12016 1 250 . 1 1 146 146 LEU N N 15 124.578 0.1 . 1 . . . . . 146 LEU N . 12016 1 251 . 1 1 148 148 SER H H 1 8.392 0.01 . 1 . . . . . 148 SER H . 12016 1 252 . 1 1 148 148 SER N N 15 119.487 0.1 . 1 . . . . . 148 SER N . 12016 1 253 . 1 1 149 149 SER H H 1 8.430 0.01 . 1 . . . . . 149 SER H . 12016 1 254 . 1 1 149 149 SER N N 15 118.168 0.1 . 1 . . . . . 149 SER N . 12016 1 255 . 1 1 150 150 SER H H 1 8.353 0.01 . 1 . . . . . 150 SER H . 12016 1 256 . 1 1 150 150 SER N N 15 117.496 0.1 . 1 . . . . . 150 SER N . 12016 1 257 . 1 1 151 151 GLY H H 1 8.364 0.01 . 1 . . . . . 151 GLY H . 12016 1 258 . 1 1 151 151 GLY N N 15 110.627 0.1 . 1 . . . . . 151 GLY N . 12016 1 259 . 1 1 152 152 ILE H H 1 7.891 0.01 . 1 . . . . . 152 ILE H . 12016 1 260 . 1 1 152 152 ILE N N 15 120.233 0.1 . 1 . . . . . 152 ILE N . 12016 1 261 . 1 1 153 153 LYS H H 1 8.343 0.01 . 1 . . . . . 153 LYS H . 12016 1 262 . 1 1 153 153 LYS N N 15 125.655 0.1 . 1 . . . . . 153 LYS N . 12016 1 263 . 1 1 154 154 LEU H H 1 8.217 0.01 . 1 . . . . . 154 LEU H . 12016 1 264 . 1 1 154 154 LEU N N 15 124.133 0.1 . 1 . . . . . 154 LEU N . 12016 1 265 . 1 1 155 155 ALA H H 1 8.287 0.01 . 1 . . . . . 155 ALA H . 12016 1 266 . 1 1 155 155 ALA N N 15 124.735 0.1 . 1 . . . . . 155 ALA N . 12016 1 267 . 1 1 156 156 ASN H H 1 8.310 0.01 . 1 . . . . . 156 ASN H . 12016 1 268 . 1 1 156 156 ASN N N 15 117.534 0.1 . 1 . . . . . 156 ASN N . 12016 1 269 . 1 1 157 157 ALA H H 1 8.195 0.01 . 1 . . . . . 157 ALA H . 12016 1 270 . 1 1 157 157 ALA N N 15 124.205 0.1 . 1 . . . . . 157 ALA N . 12016 1 271 . 1 1 158 158 THR H H 1 8.077 0.01 . 1 . . . . . 158 THR H . 12016 1 272 . 1 1 158 158 THR N N 15 113.254 0.1 . 1 . . . . . 158 THR N . 12016 1 273 . 1 1 159 159 LYS H H 1 8.205 0.01 . 1 . . . . . 159 LYS H . 12016 1 274 . 1 1 159 159 LYS N N 15 123.820 0.1 . 1 . . . . . 159 LYS N . 12016 1 275 . 1 1 160 160 LYS H H 1 8.331 0.01 . 1 . . . . . 160 LYS H . 12016 1 276 . 1 1 160 160 LYS N N 15 123.424 0.1 . 1 . . . . . 160 LYS N . 12016 1 277 . 1 1 161 161 VAL H H 1 8.209 0.01 . 1 . . . . . 161 VAL H . 12016 1 278 . 1 1 161 161 VAL N N 15 121.974 0.1 . 1 . . . . . 161 VAL N . 12016 1 279 . 1 1 162 162 GLY H H 1 8.500 0.01 . 1 . . . . . 162 GLY H . 12016 1 280 . 1 1 162 162 GLY N N 15 112.636 0.1 . 1 . . . . . 162 GLY N . 12016 1 281 . 1 1 163 163 THR H H 1 8.022 0.01 . 1 . . . . . 163 THR H . 12016 1 282 . 1 1 163 163 THR N N 15 113.674 0.1 . 1 . . . . . 163 THR N . 12016 1 283 . 1 1 164 164 LYS H H 1 8.348 0.01 . 1 . . . . . 164 LYS H . 12016 1 284 . 1 1 164 164 LYS N N 15 124.882 0.1 . 1 . . . . . 164 LYS N . 12016 1 285 . 1 1 166 166 ALA H H 1 8.415 0.01 . 1 . . . . . 166 ALA H . 12016 1 286 . 1 1 166 166 ALA N N 15 124.166 0.1 . 1 . . . . . 166 ALA N . 12016 1 287 . 1 1 167 167 GLU H H 1 8.419 0.01 . 1 . . . . . 167 GLU H . 12016 1 288 . 1 1 167 167 GLU N N 15 119.904 0.1 . 1 . . . . . 167 GLU N . 12016 1 289 . 1 1 168 168 SER H H 1 8.244 0.01 . 1 . . . . . 168 SER H . 12016 1 290 . 1 1 168 168 SER N N 15 115.737 0.1 . 1 . . . . . 168 SER N . 12016 1 291 . 1 1 169 169 ASP H H 1 8.322 0.01 . 1 . . . . . 169 ASP H . 12016 1 292 . 1 1 169 169 ASP N N 15 122.266 0.1 . 1 . . . . . 169 ASP N . 12016 1 293 . 1 1 170 170 LYS H H 1 8.127 0.01 . 1 . . . . . 170 LYS H . 12016 1 294 . 1 1 170 170 LYS N N 15 121.412 0.1 . 1 . . . . . 170 LYS N . 12016 1 295 . 1 1 176 176 SER H H 1 8.307 0.01 . 1 . . . . . 176 SER H . 12016 1 296 . 1 1 176 176 SER N N 15 116.915 0.1 . 1 . . . . . 176 SER N . 12016 1 297 . 1 1 177 177 ALA H H 1 8.337 0.01 . 1 . . . . . 177 ALA H . 12016 1 298 . 1 1 177 177 ALA N N 15 125.818 0.1 . 1 . . . . . 177 ALA N . 12016 1 299 . 1 1 178 178 GLU H H 1 8.311 0.01 . 1 . . . . . 178 GLU H . 12016 1 300 . 1 1 178 178 GLU N N 15 119.557 0.1 . 1 . . . . . 178 GLU N . 12016 1 301 . 1 1 179 179 THR H H 1 8.126 0.01 . 1 . . . . . 179 THR H . 12016 1 302 . 1 1 179 179 THR N N 15 115.506 0.1 . 1 . . . . . 179 THR N . 12016 1 303 . 1 1 180 180 LYS H H 1 8.295 0.01 . 1 . . . . . 180 LYS H . 12016 1 304 . 1 1 180 180 LYS N N 15 124.033 0.1 . 1 . . . . . 180 LYS N . 12016 1 305 . 1 1 181 181 GLU H H 1 8.381 0.01 . 1 . . . . . 181 GLU H . 12016 1 306 . 1 1 181 181 GLU N N 15 123.386 0.1 . 1 . . . . . 181 GLU N . 12016 1 307 . 1 1 183 183 THR H H 1 8.190 0.01 . 1 . . . . . 183 THR H . 12016 1 308 . 1 1 183 183 THR N N 15 114.768 0.1 . 1 . . . . . 183 THR N . 12016 1 309 . 1 1 184 184 LYS H H 1 8.314 0.01 . 1 . . . . . 184 LYS H . 12016 1 310 . 1 1 184 184 LYS N N 15 124.028 0.1 . 1 . . . . . 184 LYS N . 12016 1 311 . 1 1 185 185 GLU H H 1 8.384 0.01 . 1 . . . . . 185 GLU H . 12016 1 312 . 1 1 185 185 GLU N N 15 123.650 0.1 . 1 . . . . . 185 GLU N . 12016 1 313 . 1 1 187 187 THR H H 1 8.202 0.01 . 1 . . . . . 187 THR H . 12016 1 314 . 1 1 187 187 THR N N 15 114.747 0.1 . 1 . . . . . 187 THR N . 12016 1 315 . 1 1 188 188 LYS H H 1 8.298 0.01 . 1 . . . . . 188 LYS H . 12016 1 316 . 1 1 188 188 LYS N N 15 124.432 0.1 . 1 . . . . . 188 LYS N . 12016 1 317 . 1 1 189 189 VAL H H 1 8.192 0.01 . 1 . . . . . 189 VAL H . 12016 1 318 . 1 1 189 189 VAL N N 15 122.453 0.1 . 1 . . . . . 189 VAL N . 12016 1 319 . 1 1 190 190 GLU H H 1 8.452 0.01 . 1 . . . . . 190 GLU H . 12016 1 320 . 1 1 190 190 GLU N N 15 125.116 0.1 . 1 . . . . . 190 GLU N . 12016 1 321 . 1 1 191 191 GLU H H 1 8.375 0.01 . 1 . . . . . 191 GLU H . 12016 1 322 . 1 1 191 191 GLU N N 15 123.821 0.1 . 1 . . . . . 191 GLU N . 12016 1 323 . 1 1 193 193 VAL H H 1 8.117 0.01 . 1 . . . . . 193 VAL H . 12016 1 324 . 1 1 193 193 VAL N N 15 120.350 0.1 . 1 . . . . . 193 VAL N . 12016 1 325 . 1 1 194 194 LYS H H 1 8.343 0.01 . 1 . . . . . 194 LYS H . 12016 1 326 . 1 1 194 194 LYS N N 15 125.655 0.1 . 1 . . . . . 194 LYS N . 12016 1 327 . 1 1 195 195 LYS H H 1 8.433 0.01 . 1 . . . . . 195 LYS H . 12016 1 328 . 1 1 195 195 LYS N N 15 123.047 0.1 . 1 . . . . . 195 LYS N . 12016 1 329 . 1 1 196 196 GLU H H 1 8.491 0.01 . 1 . . . . . 196 GLU H . 12016 1 330 . 1 1 196 196 GLU N N 15 122.575 0.1 . 1 . . . . . 196 GLU N . 12016 1 331 . 1 1 198 198 LYS H H 1 8.378 0.01 . 1 . . . . . 198 LYS H . 12016 1 332 . 1 1 198 198 LYS N N 15 124.038 0.1 . 1 . . . . . 198 LYS N . 12016 1 333 . 1 1 200 200 VAL H H 1 8.213 0.01 . 1 . . . . . 200 VAL H . 12016 1 334 . 1 1 200 200 VAL N N 15 120.540 0.1 . 1 . . . . . 200 VAL N . 12016 1 335 . 1 1 201 201 GLN H H 1 8.459 0.01 . 1 . . . . . 201 GLN H . 12016 1 336 . 1 1 201 201 GLN N N 15 124.235 0.1 . 1 . . . . . 201 GLN N . 12016 1 337 . 1 1 202 202 THR H H 1 8.213 0.01 . 1 . . . . . 202 THR H . 12016 1 338 . 1 1 202 202 THR N N 15 116.085 0.1 . 1 . . . . . 202 THR N . 12016 1 339 . 1 1 203 203 GLU H H 1 8.452 0.01 . 1 . . . . . 203 GLU H . 12016 1 340 . 1 1 203 203 GLU N N 15 123.030 0.1 . 1 . . . . . 203 GLU N . 12016 1 341 . 1 1 204 204 GLU H H 1 8.347 0.01 . 1 . . . . . 204 GLU H . 12016 1 342 . 1 1 204 204 GLU N N 15 122.729 0.1 . 1 . . . . . 204 GLU N . 12016 1 343 . 1 1 205 205 LYS H H 1 8.407 0.01 . 1 . . . . . 205 LYS H . 12016 1 344 . 1 1 205 205 LYS N N 15 122.912 0.1 . 1 . . . . . 205 LYS N . 12016 1 345 . 1 1 206 206 THR H H 1 8.213 0.01 . 1 . . . . . 206 THR H . 12016 1 346 . 1 1 206 206 THR N N 15 116.085 0.1 . 1 . . . . . 206 THR N . 12016 1 347 . 1 1 207 207 GLU H H 1 8.485 0.01 . 1 . . . . . 207 GLU H . 12016 1 348 . 1 1 207 207 GLU N N 15 123.122 0.1 . 1 . . . . . 207 GLU N . 12016 1 349 . 1 1 208 208 GLU H H 1 8.435 0.01 . 1 . . . . . 208 GLU H . 12016 1 350 . 1 1 208 208 GLU N N 15 122.579 0.1 . 1 . . . . . 208 GLU N . 12016 1 351 . 1 1 209 209 LYS H H 1 8.356 0.01 . 1 . . . . . 209 LYS H . 12016 1 352 . 1 1 209 209 LYS N N 15 122.611 0.1 . 1 . . . . . 209 LYS N . 12016 1 353 . 1 1 210 210 SER H H 1 8.311 0.01 . 1 . . . . . 210 SER H . 12016 1 354 . 1 1 210 210 SER N N 15 117.073 0.1 . 1 . . . . . 210 SER N . 12016 1 355 . 1 1 211 211 GLU H H 1 8.263 0.01 . 1 . . . . . 211 GLU H . 12016 1 356 . 1 1 211 211 GLU N N 15 121.706 0.1 . 1 . . . . . 211 GLU N . 12016 1 357 . 1 1 212 212 LEU H H 1 8.199 0.01 . 1 . . . . . 212 LEU H . 12016 1 358 . 1 1 212 212 LEU N N 15 124.530 0.1 . 1 . . . . . 212 LEU N . 12016 1 359 . 1 1 214 214 LYS H H 1 8.385 0.01 . 1 . . . . . 214 LYS H . 12016 1 360 . 1 1 214 214 LYS N N 15 122.061 0.1 . 1 . . . . . 214 LYS N . 12016 1 361 . 1 1 215 215 VAL H H 1 8.194 0.01 . 1 . . . . . 215 VAL H . 12016 1 362 . 1 1 215 215 VAL N N 15 121.983 0.1 . 1 . . . . . 215 VAL N . 12016 1 363 . 1 1 216 216 GLU H H 1 8.564 0.01 . 1 . . . . . 216 GLU H . 12016 1 364 . 1 1 216 216 GLU N N 15 124.038 0.1 . 1 . . . . . 216 GLU N . 12016 1 365 . 1 1 217 217 ASP H H 1 8.261 0.01 . 1 . . . . . 217 ASP H . 12016 1 366 . 1 1 217 217 ASP N N 15 121.547 0.1 . 1 . . . . . 217 ASP N . 12016 1 367 . 1 1 218 218 LEU H H 1 8.120 0.01 . 1 . . . . . 218 LEU H . 12016 1 368 . 1 1 218 218 LEU N N 15 122.845 0.1 . 1 . . . . . 218 LEU N . 12016 1 369 . 1 1 220 220 ILE H H 1 8.011 0.01 . 1 . . . . . 220 ILE H . 12016 1 370 . 1 1 220 220 ILE N N 15 121.260 0.1 . 1 . . . . . 220 ILE N . 12016 1 371 . 1 1 221 221 SER H H 1 8.308 0.01 . 1 . . . . . 221 SER H . 12016 1 372 . 1 1 221 221 SER N N 15 119.110 0.1 . 1 . . . . . 221 SER N . 12016 1 373 . 1 1 222 222 GLU H H 1 8.394 0.01 . 1 . . . . . 222 GLU H . 12016 1 374 . 1 1 222 222 GLU N N 15 122.885 0.1 . 1 . . . . . 222 GLU N . 12016 1 375 . 1 1 223 223 SER H H 1 8.307 0.01 . 1 . . . . . 223 SER H . 12016 1 376 . 1 1 223 223 SER N N 15 116.199 0.1 . 1 . . . . . 223 SER N . 12016 1 377 . 1 1 224 224 THR H H 1 8.036 0.01 . 1 . . . . . 224 THR H . 12016 1 378 . 1 1 224 224 THR N N 15 114.942 0.1 . 1 . . . . . 224 THR N . 12016 1 379 . 1 1 225 225 HIS H H 1 8.407 0.01 . 1 . . . . . 225 HIS H . 12016 1 380 . 1 1 225 225 HIS N N 15 120.221 0.1 . 1 . . . . . 225 HIS N . 12016 1 381 . 1 1 226 226 ASN H H 1 8.466 0.01 . 1 . . . . . 226 ASN H . 12016 1 382 . 1 1 226 226 ASN N N 15 120.254 0.1 . 1 . . . . . 226 ASN N . 12016 1 383 . 1 1 227 227 THR H H 1 8.204 0.01 . 1 . . . . . 227 THR H . 12016 1 384 . 1 1 227 227 THR N N 15 114.275 0.1 . 1 . . . . . 227 THR N . 12016 1 385 . 1 1 228 228 ASN H H 1 8.456 0.01 . 1 . . . . . 228 ASN H . 12016 1 386 . 1 1 228 228 ASN N N 15 120.766 0.1 . 1 . . . . . 228 ASN N . 12016 1 387 . 1 1 229 229 ASN H H 1 8.352 0.01 . 1 . . . . . 229 ASN H . 12016 1 388 . 1 1 229 229 ASN N N 15 119.432 0.1 . 1 . . . . . 229 ASN N . 12016 1 389 . 1 1 230 230 ALA H H 1 8.218 0.01 . 1 . . . . . 230 ALA H . 12016 1 390 . 1 1 230 230 ALA N N 15 123.838 0.1 . 1 . . . . . 230 ALA N . 12016 1 391 . 1 1 231 231 ASN H H 1 8.353 0.01 . 1 . . . . . 231 ASN H . 12016 1 392 . 1 1 231 231 ASN N N 15 117.496 0.1 . 1 . . . . . 231 ASN N . 12016 1 393 . 1 1 232 232 VAL H H 1 7.986 0.01 . 1 . . . . . 232 VAL H . 12016 1 394 . 1 1 232 232 VAL N N 15 119.808 0.1 . 1 . . . . . 232 VAL N . 12016 1 395 . 1 1 233 233 THR H H 1 8.269 0.01 . 1 . . . . . 233 THR H . 12016 1 396 . 1 1 233 233 THR N N 15 117.400 0.1 . 1 . . . . . 233 THR N . 12016 1 397 . 1 1 234 234 SER H H 1 8.287 0.01 . 1 . . . . . 234 SER H . 12016 1 398 . 1 1 234 234 SER N N 15 118.107 0.1 . 1 . . . . . 234 SER N . 12016 1 399 . 1 1 235 235 ALA H H 1 8.399 0.01 . 1 . . . . . 235 ALA H . 12016 1 400 . 1 1 235 235 ALA N N 15 125.996 0.1 . 1 . . . . . 235 ALA N . 12016 1 401 . 1 1 236 236 ASP H H 1 8.165 0.01 . 1 . . . . . 236 ASP H . 12016 1 402 . 1 1 236 236 ASP N N 15 118.420 0.1 . 1 . . . . . 236 ASP N . 12016 1 403 . 1 1 237 237 ALA H H 1 7.978 0.01 . 1 . . . . . 237 ALA H . 12016 1 404 . 1 1 237 237 ALA N N 15 123.308 0.1 . 1 . . . . . 237 ALA N . 12016 1 405 . 1 1 238 238 LEU H H 1 7.988 0.01 . 1 . . . . . 238 LEU H . 12016 1 406 . 1 1 238 238 LEU N N 15 120.040 0.1 . 1 . . . . . 238 LEU N . 12016 1 407 . 1 1 239 239 ILE H H 1 7.876 0.01 . 1 . . . . . 239 ILE H . 12016 1 408 . 1 1 239 239 ILE N N 15 120.980 0.1 . 1 . . . . . 239 ILE N . 12016 1 409 . 1 1 240 240 LYS H H 1 8.189 0.01 . 1 . . . . . 240 LYS H . 12016 1 410 . 1 1 240 240 LYS N N 15 124.553 0.1 . 1 . . . . . 240 LYS N . 12016 1 411 . 1 1 241 241 GLU H H 1 8.335 0.01 . 1 . . . . . 241 GLU H . 12016 1 412 . 1 1 241 241 GLU N N 15 121.504 0.1 . 1 . . . . . 241 GLU N . 12016 1 413 . 1 1 242 242 GLN H H 1 8.290 0.01 . 1 . . . . . 242 GLN H . 12016 1 414 . 1 1 242 242 GLN N N 15 120.405 0.1 . 1 . . . . . 242 GLN N . 12016 1 415 . 1 1 243 243 GLU H H 1 8.356 0.01 . 1 . . . . . 243 GLU H . 12016 1 416 . 1 1 243 243 GLU N N 15 121.566 0.1 . 1 . . . . . 243 GLU N . 12016 1 417 . 1 1 244 244 GLU H H 1 8.316 0.01 . 1 . . . . . 244 GLU H . 12016 1 418 . 1 1 244 244 GLU N N 15 121.077 0.1 . 1 . . . . . 244 GLU N . 12016 1 419 . 1 1 245 245 GLU H H 1 8.350 0.01 . 1 . . . . . 245 GLU H . 12016 1 420 . 1 1 245 245 GLU N N 15 121.887 0.1 . 1 . . . . . 245 GLU N . 12016 1 421 . 1 1 246 246 VAL H H 1 8.115 0.01 . 1 . . . . . 246 VAL H . 12016 1 422 . 1 1 246 246 VAL N N 15 120.549 0.1 . 1 . . . . . 246 VAL N . 12016 1 423 . 1 1 247 247 ASP H H 1 8.364 0.01 . 1 . . . . . 247 ASP H . 12016 1 424 . 1 1 247 247 ASP N N 15 123.56 0.1 . 1 . . . . . 247 ASP N . 12016 1 425 . 1 1 248 248 ASP H H 1 8.281 0.01 . 1 . . . . . 248 ASP H . 12016 1 426 . 1 1 248 248 ASP N N 15 120.979 0.1 . 1 . . . . . 248 ASP N . 12016 1 427 . 1 1 249 249 GLU H H 1 8.357 0.01 . 1 . . . . . 249 GLU H . 12016 1 428 . 1 1 249 249 GLU N N 15 120.180 0.1 . 1 . . . . . 249 GLU N . 12016 1 429 . 1 1 250 250 VAL H H 1 8.020 0.01 . 1 . . . . . 250 VAL H . 12016 1 430 . 1 1 250 250 VAL N N 15 119.898 0.1 . 1 . . . . . 250 VAL N . 12016 1 431 . 1 1 251 251 VAL H H 1 7.945 0.01 . 1 . . . . . 251 VAL H . 12016 1 432 . 1 1 251 251 VAL N N 15 121.422 0.1 . 1 . . . . . 251 VAL N . 12016 1 433 . 1 1 252 252 ASN H H 1 8.302 0.01 . 1 . . . . . 252 ASN H . 12016 1 434 . 1 1 252 252 ASN N N 15 120.770 0.1 . 1 . . . . . 252 ASN N . 12016 1 435 . 1 1 253 253 ASP H H 1 8.124 0.01 . 1 . . . . . 253 ASP H . 12016 1 436 . 1 1 253 253 ASP N N 15 119.595 0.1 . 1 . . . . . 253 ASP N . 12016 1 437 . 1 1 260 260 HIS H H 1 8.323 0.01 . 1 . . . . . 260 HIS H . 12016 1 438 . 1 1 260 260 HIS N N 15 125.398 0.1 . 1 . . . . . 260 HIS N . 12016 1 stop_ save_