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stringlengths 4.86k
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[N+] ( [O-] ) # N . O [C@@H] 1 [C@H] ( O ) [C@@H] ( C O P ( O P ( = O ) ( O C [C@H] 2 O [C@@H] ( n 3 c 4 n c n c ( c 4 n c 3 ) N ) [C@H] ( O ) [C@@H] 2 O ) [O-] ) ( [O-] ) = O ) O [C@H] 1 [n+] 1 c c c c ( C ( = O ) N ) c 1 . O | O = [N] . [H+] . [C@@H] 1 ( O [C@H] ( [C@@H] ( [C@@H] 1 O ) O ) N 1 C = C C C ( C ( N ) = O ) = C 1 ) C O P ( [O-] ) ( = O ) O P ( = O ) ( [O-] ) O C [C@@H] 1 [C@@H] ( O ) [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c 2 n c n c ( c 2 n c 1 ) N | MASGAPSFPFSRASGPEPPAEFAKLRATNPVSQVKLFDGSLAWLVTKHKDVCFVATSEKLSKVRTRQGFPELSASGKQAAKAKPTFVDMDPPEHMHQRSMVEPTFTPEAVKNLQPYIQRTVDDLLEQMKQKGCANGPVDLVKEFALPVPSYIIYTLLGVPFNDLEYLTQQNAIRTNGSSTAREASAANQELLDYLAILVEQRLVEPKDDIISKLCTEQVKPGNIDKSDAVQIAFLLLVAGNATMVNMIALGVATLAQHPDQLAQLKANPSLAPQFVEELCRYHTASALAIKRTAKEDVMIGDKLVRANEGIIASNQSANRDEEVFENPDEFNMNRKWPPQDPLGFGFGDHRCIAEHLAKAELTTVFSTLYQKFPDLKVAVPLGKINYTPLNRDVGIVDLPVIF | tensor([[-2.7894e-02, -1.0972e-01, 4.4956e-02, 2.0652e-01, 1.1396e-01,
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C ( [C@@H] 1 [C@H] ( [C@@H] ( O ) [C@H] ( n 2 c 3 c ( n c 2 ) c ( N ) n c n 3 ) O 1 ) O ) O P ( [O-] ) ( O P ( O C [C@@H] 1 [C@H] ( [C@H] ( [C@@H] ( O 1 ) N 1 C = C C C ( = C 1 ) C ( N ) = O ) O ) O ) ( = O ) [O-] ) = O . [H+] . [N] = O | O . O 1 [C@H] ( C O P ( [O-] ) ( O P ( O C [C@@H] 2 [C@H] ( [C@H] ( [C@H] ( [n+] 3 c c ( c c c 3 ) C ( N ) = O ) O 2 ) O ) O ) ( = O ) [O-] ) = O ) [C@@H] ( O ) [C@H] ( [C@@H] 1 n 1 c n c 2 c 1 n c n c 2 N ) O . [O-] [N+] # N | MASGAPSFPFSRASGPEPPAEFAKLRATNPVSQVKLFDGSLAWLVTKHKDVCFVATSEKLSKVRTRQGFPELSASGKQAAKAKPTFVDMDPPEHMHQRSMVEPTFTPEAVKNLQPYIQRTVDDLLEQMKQKGCANGPVDLVKEFALPVPSYIIYTLLGVPFNDLEYLTQQNAIRTNGSSTAREASAANQELLDYLAILVEQRLVEPKDDIISKLCTEQVKPGNIDKSDAVQIAFLLLVAGNATMVNMIALGVATLAQHPDQLAQLKANPSLAPQFVEELCRYHTASALAIKRTAKEDVMIGDKLVRANEGIIASNQSANRDEEVFENPDEFNMNRKWPPQDPLGFGFGDHRCIAEHLAKAELTTVFSTLYQKFPDLKVAVPLGKINYTPLNRDVGIVDLPVIF | tensor([[-2.7894e-02, -1.0972e-01, 4.4956e-02, 2.0652e-01, 1.1396e-01,
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[H+] . [N] = O . c 1 n ( c 2 c ( c ( n c n 2 ) N ) n 1 ) [C@H] 1 [C@@H] ( [C@@H] ( [C@@H] ( C O P ( [O-] ) ( = O ) O P ( [O-] ) ( O C [C@@H] 2 [C@@H] ( O ) [C@H] ( [C@H] ( N 3 C = C ( C C = C 3 ) C ( = O ) N ) O 2 ) O ) = O ) O 1 ) O ) O | [O-] [N+] # N . O = P ( O C [C@H] 1 O [C@H] ( [C@H] ( O ) [C@@H] 1 O ) [n+] 1 c c c c ( c 1 ) C ( = O ) N ) ( [O-] ) O P ( = O ) ( O C [C@@H] 1 [C@@H] ( O ) [C@@H] ( O ) [C@H] ( n 2 c 3 c ( n c 2 ) c ( n c n 3 ) N ) O 1 ) [O-] . O | MASGAPSFPFSRASGPEPPAEFAKLRATNPVSQVKLFDGSLAWLVTKHKDVCFVATSEKLSKVRTRQGFPELSASGKQAAKAKPTFVDMDPPEHMHQRSMVEPTFTPEAVKNLQPYIQRTVDDLLEQMKQKGCANGPVDLVKEFALPVPSYIIYTLLGVPFNDLEYLTQQNAIRTNGSSTAREASAANQELLDYLAILVEQRLVEPKDDIISKLCTEQVKPGNIDKSDAVQIAFLLLVAGNATMVNMIALGVATLAQHPDQLAQLKANPSLAPQFVEELCRYHTASALAIKRTAKEDVMIGDKLVRANEGIIASNQSANRDEEVFENPDEFNMNRKWPPQDPLGFGFGDHRCIAEHLAKAELTTVFSTLYQKFPDLKVAVPLGKINYTPLNRDVGIVDLPVIF | tensor([[-2.7894e-02, -1.0972e-01, 4.4956e-02, 2.0652e-01, 1.1396e-01,
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N # [N+] [O-] . [C@H] 1 ( O ) [C@H] ( [C@@H] ( O [C@@H] 1 C O P ( O P ( O C [C@@H] 1 [C@H] ( [C@@H] ( O ) [C@H] ( n 2 c 3 n c n c ( N ) c 3 n c 2 ) O 1 ) O ) ( [O-] ) = O ) ( = O ) [O-] ) [n+] 1 c c ( C ( = O ) N ) c c c 1 ) O . O | [H+] . [N] = O . n 1 c 2 c ( c ( n c 1 ) N ) n c n 2 [C@H] 1 [C@@H] ( [C@H] ( O ) [C@H] ( O 1 ) C O P ( [O-] ) ( O P ( O C [C@@H] 1 [C@H] ( [C@@H] ( O ) [C@@H] ( O 1 ) N 1 C = C C C ( = C 1 ) C ( = O ) N ) O ) ( = O ) [O-] ) = O ) O | MASGAPSFPFSRASGPEPPAEFAKLRATNPVSQVKLFDGSLAWLVTKHKDVCFVATSEKLSKVRTRQGFPELSASGKQAAKAKPTFVDMDPPEHMHQRSMVEPTFTPEAVKNLQPYIQRTVDDLLEQMKQKGCANGPVDLVKEFALPVPSYIIYTLLGVPFNDLEYLTQQNAIRTNGSSTAREASAANQELLDYLAILVEQRLVEPKDDIISKLCTEQVKPGNIDKSDAVQIAFLLLVAGNATMVNMIALGVATLAQHPDQLAQLKANPSLAPQFVEELCRYHTASALAIKRTAKEDVMIGDKLVRANEGIIASNQSANRDEEVFENPDEFNMNRKWPPQDPLGFGFGDHRCIAEHLAKAELTTVFSTLYQKFPDLKVAVPLGKINYTPLNRDVGIVDLPVIF | tensor([[-2.7894e-02, -1.0972e-01, 4.4956e-02, 2.0652e-01, 1.1396e-01,
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P ( [O-] ) ( O P ( O C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@@H] ( O 1 ) N 1 C = C C C ( = C 1 ) C ( N ) = O ) O ) ( = O ) [O-] ) ( = O ) O C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@H] ( n 2 c n c 3 c ( n c n c 3 2 ) N ) O 1 ) O . [H+] . [N] = O | c 1 c ( c c c [n+] 1 [C@H] 1 [C@H] ( O ) [C@H] ( O ) [C@H] ( O 1 ) C O P ( = O ) ( O P ( [O-] ) ( = O ) O C [C@@H] 1 [C@@H] ( O ) [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c 2 c ( c ( N ) n c n 2 ) n c 1 ) [O-] ) C ( = O ) N . [O-] [N+] # N . O | MASGAPSFPFSRASGPEPPAEFAKLRATNPVSQVKLFDGSLAWLVTKHKDVCFVATSEKLSKVRTRQGFPELSASGKQAAKAKPTFVDMDPPEHMHQRSMVEPTFTPEAVKNLQPYIQRTVDDLLEQMKQKGCANGPVDLVKEFALPVPSYIIYTLLGVPFNDLEYLTQQNAIRTNGSSTAREASAANQELLDYLAILVEQRLVEPKDDIISKLCTEQVKPGNIDKSDAVQIAFLLLVAGNATMVNMIALGVATLAQHPDQLAQLKANPSLAPQFVEELCRYHTASALAIKRTAKEDVMIGDKLVRANEGIIASNQSANRDEEVFENPDEFNMNRKWPPQDPLGFGFGDHRCIAEHLAKAELTTVFSTLYQKFPDLKVAVPLGKINYTPLNRDVGIVDLPVIF | tensor([[-2.7894e-02, -1.0972e-01, 4.4956e-02, 2.0652e-01, 1.1396e-01,
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O = P ( O P ( = O ) ( [O-] ) O C [C@@H] 1 [C@@H] ( O ) [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c 2 c ( c ( n c n 2 ) N ) n c 1 ) ( O C [C@H] 1 O [C@H] ( [C@@H] ( [C@@H] 1 O ) O ) [n+] 1 c c ( C ( = O ) N ) c c c 1 ) [O-] . N # [N+] [O-] . O | c 1 2 n ( c n c 1 c ( n c n 2 ) N ) [C@@H] 1 O [C@@H] ( [C@@H] ( O ) [C@H] 1 O ) C O P ( = O ) ( [O-] ) O P ( [O-] ) ( = O ) O C [C@@H] 1 [C@H] ( [C@@H] ( O ) [C@H] ( N 2 C = C ( C ( N ) = O ) C C = C 2 ) O 1 ) O . [H+] . O = [N] | MASGAPSFPFSRASGPEPPAEFAKLRATNPVSQVKLFDGSLAWLVTKHKDVCFVATSEKLSKVRTRQGFPELSASGKQAAKAKPTFVDMDPPEHMHQRSMVEPTFTPEAVKNLQPYIQRTVDDLLEQMKQKGCANGPVDLVKEFALPVPSYIIYTLLGVPFNDLEYLTQQNAIRTNGSSTAREASAANQELLDYLAILVEQRLVEPKDDIISKLCTEQVKPGNIDKSDAVQIAFLLLVAGNATMVNMIALGVATLAQHPDQLAQLKANPSLAPQFVEELCRYHTASALAIKRTAKEDVMIGDKLVRANEGIIASNQSANRDEEVFENPDEFNMNRKWPPQDPLGFGFGDHRCIAEHLAKAELTTVFSTLYQKFPDLKVAVPLGKINYTPLNRDVGIVDLPVIF | tensor([[-2.7894e-02, -1.0972e-01, 4.4956e-02, 2.0652e-01, 1.1396e-01,
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O = [N] . [C@H] 1 ( [C@@H] ( C O P ( [O-] ) ( = O ) O P ( = O ) ( [O-] ) O C [C@@H] 2 [C@@H] ( O ) [C@@H] ( O ) [C@H] ( n 3 c n c 4 c ( n c n c 4 3 ) N ) O 2 ) O [C@@H] ( N 2 C = C ( C C = C 2 ) C ( N ) = O ) [C@@H] 1 O ) O . [H+] | N c 1 n c n c 2 n ( c n c 1 2 ) [C@@H] 1 O [C@@H] ( [C@H] ( [C@H] 1 O ) O ) C O P ( = O ) ( [O-] ) O P ( O C [C@H] 1 O [C@@H] ( [n+] 2 c c ( c c c 2 ) C ( N ) = O ) [C@H] ( O ) [C@@H] 1 O ) ( [O-] ) = O . O . [N+] ( [O-] ) # N | MASGAPSFPFSRASGPEPPAEFAKLRATNPVSQVKLFDGSLAWLVTKHKDVCFVATSEKLSKVRTRQGFPELSASGKQAAKAKPTFVDMDPPEHMHQRSMVEPTFTPEAVKNLQPYIQRTVDDLLEQMKQKGCANGPVDLVKEFALPVPSYIIYTLLGVPFNDLEYLTQQNAIRTNGSSTAREASAANQELLDYLAILVEQRLVEPKDDIISKLCTEQVKPGNIDKSDAVQIAFLLLVAGNATMVNMIALGVATLAQHPDQLAQLKANPSLAPQFVEELCRYHTASALAIKRTAKEDVMIGDKLVRANEGIIASNQSANRDEEVFENPDEFNMNRKWPPQDPLGFGFGDHRCIAEHLAKAELTTVFSTLYQKFPDLKVAVPLGKINYTPLNRDVGIVDLPVIF | tensor([[-2.7894e-02, -1.0972e-01, 4.4956e-02, 2.0652e-01, 1.1396e-01,
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[C@@H] 1 ( [C@H] ( [n+] 2 c c ( C ( N ) = O ) c c c 2 ) O [C@@H] ( [C@H] 1 O ) C O P ( O P ( = O ) ( O C [C@H] 1 O [C@H] ( [C@H] ( O ) [C@@H] 1 O ) n 1 c 2 n c n c ( N ) c 2 n c 1 ) [O-] ) ( [O-] ) = O ) O . O . [N+] ( [O-] ) # N | O = [N] . C ( O P ( = O ) ( [O-] ) O P ( [O-] ) ( = O ) O C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@H] ( n 2 c n c 3 c ( N ) n c n c 3 2 ) O 1 ) O ) [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@H] ( N 2 C = C ( C ( N ) = O ) C C = C 2 ) O 1 ) O . [H+] | MASGAPSFPFSRASGPEPPAEFAKLRATNPVSQVKLFDGSLAWLVTKHKDVCFVATSEKLSKVRTRQGFPELSASGKQAAKAKPTFVDMDPPEHMHQRSMVEPTFTPEAVKNLQPYIQRTVDDLLEQMKQKGCANGPVDLVKEFALPVPSYIIYTLLGVPFNDLEYLTQQNAIRTNGSSTAREASAANQELLDYLAILVEQRLVEPKDDIISKLCTEQVKPGNIDKSDAVQIAFLLLVAGNATMVNMIALGVATLAQHPDQLAQLKANPSLAPQFVEELCRYHTASALAIKRTAKEDVMIGDKLVRANEGIIASNQSANRDEEVFENPDEFNMNRKWPPQDPLGFGFGDHRCIAEHLAKAELTTVFSTLYQKFPDLKVAVPLGKINYTPLNRDVGIVDLPVIF | tensor([[-2.7894e-02, -1.0972e-01, 4.4956e-02, 2.0652e-01, 1.1396e-01,
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O = [N] . C 1 = C ( C ( N ) = O ) C C = C N 1 [C@@H] 1 O [C@H] ( C O P ( = O ) ( O P ( [O-] ) ( O C [C@@H] 2 [C@@H] ( O ) [C@@H] ( O ) [C@@H] ( O 2 ) n 2 c 3 c ( n c 2 ) c ( n c n 3 ) N ) = O ) [O-] ) [C@@H] ( O ) [C@H] 1 O . [H+] | [C@H] 1 ( O [C@@H] ( [C@H] ( [C@H] 1 O ) O ) C O P ( [O-] ) ( = O ) O P ( = O ) ( O C [C@@H] 1 [C@@H] ( O ) [C@@H] ( O ) [C@@H] ( O 1 ) [n+] 1 c c c c ( c 1 ) C ( N ) = O ) [O-] ) n 1 c 2 n c n c ( c 2 n c 1 ) N . N # [N+] [O-] . O | MASGAPSFPFSRASGPEPPAEFAKLRATNPVSQVKLFDGSLAWLVTKHKDVCFVATSEKLSKVRTRQGFPELSASGKQAAKAKPTFVDMDPPEHMHQRSMVEPTFTPEAVKNLQPYIQRTVDDLLEQMKQKGCANGPVDLVKEFALPVPSYIIYTLLGVPFNDLEYLTQQNAIRTNGSSTAREASAANQELLDYLAILVEQRLVEPKDDIISKLCTEQVKPGNIDKSDAVQIAFLLLVAGNATMVNMIALGVATLAQHPDQLAQLKANPSLAPQFVEELCRYHTASALAIKRTAKEDVMIGDKLVRANEGIIASNQSANRDEEVFENPDEFNMNRKWPPQDPLGFGFGDHRCIAEHLAKAELTTVFSTLYQKFPDLKVAVPLGKINYTPLNRDVGIVDLPVIF | tensor([[-2.7894e-02, -1.0972e-01, 4.4956e-02, 2.0652e-01, 1.1396e-01,
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[N] = O . [C@H] 1 ( C O P ( [O-] ) ( = O ) O P ( [O-] ) ( = O ) O C [C@@H] 2 [C@H] ( [C@@H] ( O ) [C@@H] ( O 2 ) N 2 C = C C C ( C ( N ) = O ) = C 2 ) O ) O [C@@H] ( n 2 c n c 3 c 2 n c n c 3 N ) [C@H] ( O ) [C@@H] 1 O . [H+] | N # [N+] [O-] . [C@H] 1 ( [C@H] ( [C@H] ( [C@@H] ( O 1 ) [n+] 1 c c c c ( C ( N ) = O ) c 1 ) O ) O ) C O P ( [O-] ) ( = O ) O P ( = O ) ( [O-] ) O C [C@@H] 1 [C@@H] ( O ) [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c n c 2 c ( n c n c 2 1 ) N . O | MASGAPSFPFSRASGPEPPAEFAKLRATNPVSQVKLFDGSLAWLVTKHKDVCFVATSEKLSKVRTRQGFPELSASGKQAAKAKPTFVDMDPPEHMHQRSMVEPTFTPEAVKNLQPYIQRTVDDLLEQMKQKGCANGPVDLVKEFALPVPSYIIYTLLGVPFNDLEYLTQQNAIRTNGSSTAREASAANQELLDYLAILVEQRLVEPKDDIISKLCTEQVKPGNIDKSDAVQIAFLLLVAGNATMVNMIALGVATLAQHPDQLAQLKANPSLAPQFVEELCRYHTASALAIKRTAKEDVMIGDKLVRANEGIIASNQSANRDEEVFENPDEFNMNRKWPPQDPLGFGFGDHRCIAEHLAKAELTTVFSTLYQKFPDLKVAVPLGKINYTPLNRDVGIVDLPVIF | tensor([[-2.7894e-02, -1.0972e-01, 4.4956e-02, 2.0652e-01, 1.1396e-01,
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N # [N+] [O-] . C ( [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@H] ( n 2 c n c 3 c ( N ) n c n c 3 2 ) O 1 ) O ) O P ( = O ) ( [O-] ) O P ( = O ) ( O C [C@@H] 1 [C@H] ( [C@H] ( [C@H] ( [n+] 2 c c ( C ( = O ) N ) c c c 2 ) O 1 ) O ) O ) [O-] . O | [N] = O . N C ( = O ) C 1 = C N ( C = C C 1 ) [C@H] 1 [C@H] ( O ) [C@H] ( O ) [C@H] ( O 1 ) C O P ( = O ) ( O P ( O C [C@@H] 1 [C@@H] ( O ) [C@@H] ( O ) [C@H] ( n 2 c 3 n c n c ( c 3 n c 2 ) N ) O 1 ) ( = O ) [O-] ) [O-] . [H+] | MASGAPSFPFSRASGPEPPAEFAKLRATNPVSQVKLFDGSLAWLVTKHKDVCFVATSEKLSKVRTRQGFPELSASGKQAAKAKPTFVDMDPPEHMHQRSMVEPTFTPEAVKNLQPYIQRTVDDLLEQMKQKGCANGPVDLVKEFALPVPSYIIYTLLGVPFNDLEYLTQQNAIRTNGSSTAREASAANQELLDYLAILVEQRLVEPKDDIISKLCTEQVKPGNIDKSDAVQIAFLLLVAGNATMVNMIALGVATLAQHPDQLAQLKANPSLAPQFVEELCRYHTASALAIKRTAKEDVMIGDKLVRANEGIIASNQSANRDEEVFENPDEFNMNRKWPPQDPLGFGFGDHRCIAEHLAKAELTTVFSTLYQKFPDLKVAVPLGKINYTPLNRDVGIVDLPVIF | tensor([[-2.7894e-02, -1.0972e-01, 4.4956e-02, 2.0652e-01, 1.1396e-01,
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O = [N] . c 1 n c 2 n ( [C@@H] 3 O [C@@H] ( [C@H] ( [C@H] 3 O ) O ) C O P ( O P ( [O-] ) ( O C [C@H] 3 O [C@@H] ( N 4 C = C ( C ( = O ) N ) C C = C 4 ) [C@@H] ( [C@@H] 3 O ) O ) = O ) ( [O-] ) = O ) c n c 2 c ( n 1 ) N . [H+] | c 1 ( c [n+] ( [C@H] 2 [C@H] ( O ) [C@H] ( O ) [C@H] ( O 2 ) C O P ( = O ) ( [O-] ) O P ( = O ) ( [O-] ) O C [C@@H] 2 [C@H] ( [C@@H] ( O ) [C@H] ( n 3 c 4 c ( c ( N ) n c n 4 ) n c 3 ) O 2 ) O ) c c c 1 ) C ( = O ) N . O . [O-] [N+] # N | MASGAPSFPFSRASGPEPPAEFAKLRATNPVSQVKLFDGSLAWLVTKHKDVCFVATSEKLSKVRTRQGFPELSASGKQAAKAKPTFVDMDPPEHMHQRSMVEPTFTPEAVKNLQPYIQRTVDDLLEQMKQKGCANGPVDLVKEFALPVPSYIIYTLLGVPFNDLEYLTQQNAIRTNGSSTAREASAANQELLDYLAILVEQRLVEPKDDIISKLCTEQVKPGNIDKSDAVQIAFLLLVAGNATMVNMIALGVATLAQHPDQLAQLKANPSLAPQFVEELCRYHTASALAIKRTAKEDVMIGDKLVRANEGIIASNQSANRDEEVFENPDEFNMNRKWPPQDPLGFGFGDHRCIAEHLAKAELTTVFSTLYQKFPDLKVAVPLGKINYTPLNRDVGIVDLPVIF | tensor([[-2.7894e-02, -1.0972e-01, 4.4956e-02, 2.0652e-01, 1.1396e-01,
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[C@@H] 1 ( O [C@@H] ( n 2 c 3 n c n c ( N ) c 3 n c 2 ) [C@@H] ( [C@@H] 1 O ) O ) C O P ( = O ) ( [O-] ) O P ( [O-] ) ( = O ) O C [C@@H] 1 [C@H] ( [C@H] ( [C@H] ( [n+] 2 c c ( C ( = O ) N ) c c c 2 ) O 1 ) O ) O . O . [O-] [N+] # N | [N] = O . c 1 2 c ( n c n c 2 n ( c n 1 ) [C@H] 1 [C@H] ( O ) [C@H] ( O ) [C@@H] ( C O P ( = O ) ( O P ( O C [C@@H] 2 [C@@H] ( O ) [C@@H] ( O ) [C@@H] ( O 2 ) N 2 C = C C C ( = C 2 ) C ( N ) = O ) ( = O ) [O-] ) [O-] ) O 1 ) N . [H+] | MASGAPSFPFSRASGPEPPAEFAKLRATNPVSQVKLFDGSLAWLVTKHKDVCFVATSEKLSKVRTRQGFPELSASGKQAAKAKPTFVDMDPPEHMHQRSMVEPTFTPEAVKNLQPYIQRTVDDLLEQMKQKGCANGPVDLVKEFALPVPSYIIYTLLGVPFNDLEYLTQQNAIRTNGSSTAREASAANQELLDYLAILVEQRLVEPKDDIISKLCTEQVKPGNIDKSDAVQIAFLLLVAGNATMVNMIALGVATLAQHPDQLAQLKANPSLAPQFVEELCRYHTASALAIKRTAKEDVMIGDKLVRANEGIIASNQSANRDEEVFENPDEFNMNRKWPPQDPLGFGFGDHRCIAEHLAKAELTTVFSTLYQKFPDLKVAVPLGKINYTPLNRDVGIVDLPVIF | tensor([[-2.7894e-02, -1.0972e-01, 4.4956e-02, 2.0652e-01, 1.1396e-01,
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[H+] . O [C@H] 1 [C@H] ( n 2 c n c 3 c 2 n c n c 3 N ) O [C@@H] ( [C@H] 1 O ) C O P ( O P ( [O-] ) ( = O ) O C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@H] ( N 2 C = C ( C ( = O ) N ) C C = C 2 ) O 1 ) O ) ( = O ) [O-] . [N] = O | O . c 1 ( c 2 n c n ( [C@H] 3 [C@@H] ( [C@H] ( O ) [C@@H] ( C O P ( O P ( O C [C@@H] 4 [C@H] ( [C@@H] ( O ) [C@H] ( [n+] 5 c c ( C ( = O ) N ) c c c 5 ) O 4 ) O ) ( = O ) [O-] ) ( = O ) [O-] ) O 3 ) O ) c 2 n c n 1 ) N . [O-] [N+] # N | MASGAPSFPFSRASGPEPPAEFAKLRATNPVSQVKLFDGSLAWLVTKHKDVCFVATSEKLSKVRTRQGFPELSASGKQAAKAKPTFVDMDPPEHMHQRSMVEPTFTPEAVKNLQPYIQRTVDDLLEQMKQKGCANGPVDLVKEFALPVPSYIIYTLLGVPFNDLEYLTQQNAIRTNGSSTAREASAANQELLDYLAILVEQRLVEPKDDIISKLCTEQVKPGNIDKSDAVQIAFLLLVAGNATMVNMIALGVATLAQHPDQLAQLKANPSLAPQFVEELCRYHTASALAIKRTAKEDVMIGDKLVRANEGIIASNQSANRDEEVFENPDEFNMNRKWPPQDPLGFGFGDHRCIAEHLAKAELTTVFSTLYQKFPDLKVAVPLGKINYTPLNRDVGIVDLPVIF | tensor([[-2.7894e-02, -1.0972e-01, 4.4956e-02, 2.0652e-01, 1.1396e-01,
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O . O 1 [C@@H] ( [n+] 2 c c ( C ( N ) = O ) c c c 2 ) [C@@H] ( [C@@H] ( [C@H] 1 C O P ( O P ( O C [C@@H] 1 [C@H] ( [C@H] ( [C@H] ( n 2 c n c 3 c 2 n c n c 3 N ) O 1 ) O ) O ) ( = O ) [O-] ) ( = O ) [O-] ) O ) O . [N+] ( # N ) [O-] | [H+] . O 1 [C@H] ( C O P ( O P ( [O-] ) ( O C [C@H] 2 O [C@H] ( [C@H] ( O ) [C@@H] 2 O ) n 2 c 3 c ( c ( n c n 3 ) N ) n c 2 ) = O ) ( [O-] ) = O ) [C@H] ( [C@@H] ( O ) [C@@H] 1 N 1 C = C C C ( = C 1 ) C ( = O ) N ) O . [N] = O | MASGAPSFPFSRASGPEPPAEFAKLRATNPVSQVKLFDGSLAWLVTKHKDVCFVATSEKLSKVRTRQGFPELSASGKQAAKAKPTFVDMDPPEHMHQRSMVEPTFTPEAVKNLQPYIQRTVDDLLEQMKQKGCANGPVDLVKEFALPVPSYIIYTLLGVPFNDLEYLTQQNAIRTNGSSTAREASAANQELLDYLAILVEQRLVEPKDDIISKLCTEQVKPGNIDKSDAVQIAFLLLVAGNATMVNMIALGVATLAQHPDQLAQLKANPSLAPQFVEELCRYHTASALAIKRTAKEDVMIGDKLVRANEGIIASNQSANRDEEVFENPDEFNMNRKWPPQDPLGFGFGDHRCIAEHLAKAELTTVFSTLYQKFPDLKVAVPLGKINYTPLNRDVGIVDLPVIF | tensor([[-2.7894e-02, -1.0972e-01, 4.4956e-02, 2.0652e-01, 1.1396e-01,
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O . O [C@@H] 1 [C@@H] ( [C@@H] ( C O P ( = O ) ( O P ( [O-] ) ( = O ) O C [C@@H] 2 [C@H] ( [C@@H] ( O ) [C@H] ( n 3 c n c 4 c ( n c n c 4 3 ) N ) O 2 ) O ) [O-] ) O [C@H] 1 [n+] 1 c c c c ( c 1 ) C ( = O ) N ) O . [N+] ( [O-] ) # N | [O-] P ( O P ( [O-] ) ( = O ) O C [C@@H] 1 [C@H] ( [C@H] ( [C@H] ( n 2 c n c 3 c ( n c n c 2 3 ) N ) O 1 ) O ) O ) ( = O ) O C [C@H] 1 O [C@@H] ( N 2 C = C ( C ( = O ) N ) C C = C 2 ) [C@@H] ( [C@@H] 1 O ) O . [N] = O . [H+] | MASGAPSFPFSRASGPEPPAEFAKLRATNPVSQVKLFDGSLAWLVTKHKDVCFVATSEKLSKVRTRQGFPELSASGKQAAKAKPTFVDMDPPEHMHQRSMVEPTFTPEAVKNLQPYIQRTVDDLLEQMKQKGCANGPVDLVKEFALPVPSYIIYTLLGVPFNDLEYLTQQNAIRTNGSSTAREASAANQELLDYLAILVEQRLVEPKDDIISKLCTEQVKPGNIDKSDAVQIAFLLLVAGNATMVNMIALGVATLAQHPDQLAQLKANPSLAPQFVEELCRYHTASALAIKRTAKEDVMIGDKLVRANEGIIASNQSANRDEEVFENPDEFNMNRKWPPQDPLGFGFGDHRCIAEHLAKAELTTVFSTLYQKFPDLKVAVPLGKINYTPLNRDVGIVDLPVIF | tensor([[-2.7894e-02, -1.0972e-01, 4.4956e-02, 2.0652e-01, 1.1396e-01,
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[H+] . [N] = O . [C@@H] 1 ( [C@H] ( O ) [C@H] ( O ) [C@H] ( O 1 ) C O P ( O P ( = O ) ( [O-] ) O C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@@H] ( O 1 ) N 1 C = C ( C C = C 1 ) C ( = O ) N ) O ) ( = O ) [O-] ) n 1 c 2 n c n c ( N ) c 2 n c 1 | n 1 c 2 n ( [C@H] 3 [C@@H] ( [C@H] ( O ) [C@H] ( O 3 ) C O P ( [O-] ) ( = O ) O P ( O C [C@H] 3 O [C@@H] ( [n+] 4 c c ( c c c 4 ) C ( = O ) N ) [C@@H] ( [C@@H] 3 O ) O ) ( [O-] ) = O ) O ) c n c 2 c ( n c 1 ) N . [N+] ( # N ) [O-] . O | MASGAPSFPFSRASGPEPPAEFAKLRATNPVSQVKLFDGSLAWLVTKHKDVCFVATSEKLSKVRTRQGFPELSASGKQAAKAKPTFVDMDPPEHMHQRSMVEPTFTPEAVKNLQPYIQRTVDDLLEQMKQKGCANGPVDLVKEFALPVPSYIIYTLLGVPFNDLEYLTQQNAIRTNGSSTAREASAANQELLDYLAILVEQRLVEPKDDIISKLCTEQVKPGNIDKSDAVQIAFLLLVAGNATMVNMIALGVATLAQHPDQLAQLKANPSLAPQFVEELCRYHTASALAIKRTAKEDVMIGDKLVRANEGIIASNQSANRDEEVFENPDEFNMNRKWPPQDPLGFGFGDHRCIAEHLAKAELTTVFSTLYQKFPDLKVAVPLGKINYTPLNRDVGIVDLPVIF | tensor([[-2.7894e-02, -1.0972e-01, 4.4956e-02, 2.0652e-01, 1.1396e-01,
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O ( C [C@H] ( [NH3+] ) C ( [O-] ) = O ) P ( = O ) ( [O-] ) [O-] . [O-] C ( C ( C C C ( [O-] ) = O ) = O ) = O | O = C ( [C@H] ( C C C ( [O-] ) = O ) [NH3+] ) [O-] . [O-] P ( O C C ( C ( = O ) [O-] ) = O ) ( = O ) [O-] | MQSTSAQSSASHPERVFNFSAGPATMPESVLREVQDEMLCYPGAGASIMEISHRDKLFVDVLHDAESTIRELLNVSDDYSVMFMQGGATLQFSAIPANLLRGSGKRAQYVLTGSWGKKAVKEAKKEGDVDVLFDAAESNYDHIPSASDLACPDDAAYMYYCSNETIQGVQFPTEPNCPDSVPLVSDASSDFLCRPLPIEKYGLLYACAQKNAGPAGVSVVIMRKDLLDKADPNIPGYLHFKNHHDNDSEWNTPPTFAIYVLGKVARWLRDDMGGLEKMESINHEKSQQLYSVIDSSNGFYRGHAQTDCRSLMNVTFNLPSDELTAKFIAEAAEHKLAALKGHRSVGGIRASIYNAMPREGVNALASFMNNFASKNS | tensor([[-1.1328e-01, -1.3851e-02, -3.2609e-02, 6.7304e-02, 4.0043e-02,
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O ( P ( [O-] ) ( [O-] ) = O ) C C ( C ( [O-] ) = O ) = O . [C@@H] ( C C C ( [O-] ) = O ) ( [NH3+] ) C ( = O ) [O-] | C ( [C@@H] ( C ( = O ) [O-] ) [NH3+] ) O P ( [O-] ) ( [O-] ) = O . C ( C C ( [O-] ) = O ) C ( = O ) C ( [O-] ) = O | MQSTSAQSSASHPERVFNFSAGPATMPESVLREVQDEMLCYPGAGASIMEISHRDKLFVDVLHDAESTIRELLNVSDDYSVMFMQGGATLQFSAIPANLLRGSGKRAQYVLTGSWGKKAVKEAKKEGDVDVLFDAAESNYDHIPSASDLACPDDAAYMYYCSNETIQGVQFPTEPNCPDSVPLVSDASSDFLCRPLPIEKYGLLYACAQKNAGPAGVSVVIMRKDLLDKADPNIPGYLHFKNHHDNDSEWNTPPTFAIYVLGKVARWLRDDMGGLEKMESINHEKSQQLYSVIDSSNGFYRGHAQTDCRSLMNVTFNLPSDELTAKFIAEAAEHKLAALKGHRSVGGIRASIYNAMPREGVNALASFMNNFASKNS | tensor([[-1.1328e-01, -1.3851e-02, -3.2609e-02, 6.7304e-02, 4.0043e-02,
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3.1734e-02, -3.2920e-02, 3.3733e-02, 2.1860e-03, 1.4950e-01]]) |
[O-] C ( = O ) [C@H] ( C O P ( [O-] ) ( [O-] ) = O ) [NH3+] . C ( C C ( [O-] ) = O ) C ( = O ) C ( [O-] ) = O | P ( [O-] ) ( = O ) ( [O-] ) O C C ( C ( [O-] ) = O ) = O . [C@H] ( C ( = O ) [O-] ) ( [NH3+] ) C C C ( [O-] ) = O | MQVFNFSAGPAMMPKVVLEQAQQELLNWLDQGTSVMEVSHRGKYFMEMITQAEKDFRQLYNIPENYKVLFLQGGARGQFAAIPMNLANKKGKTLYLTSGHWSATAAKEARLFTEVDEINILLDGKLEVGELDFSHIASQYDYVHYCPNETISGVEIVDVPNVGEAVLVADMSSNILSREIDISKFGVIYAGAQKNLGPAGITVVIVREDLIGHARKETPSIWNYEIQSKNSSMINTPPTFAWYLCSLVFKYLLAQGGIKEMAKLNREKAKLLYDFLDQSDFYHNVVAPKNRSLMNVTFTTNNDELNAKFVAEATACGLQALKGHKVLGGMRASIYNAMPIEGIKALIEFMRKFEAENN | tensor([[-1.7705e-01, 6.1509e-02, 2.2638e-02, 1.5855e-01, 3.8696e-02,
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-4.1346e-02, -1.4158e-02, 2.5665e-02, 4.9029e-02, 7.9068e-02]]) |
O = C ( C ( = O ) [O-] ) C O P ( = O ) ( [O-] ) [O-] . [NH3+] [C@@H] ( C C C ( = O ) [O-] ) C ( = O ) [O-] | C ( C ( [O-] ) = O ) C C ( = O ) C ( [O-] ) = O . C ( [C@H] ( C O P ( = O ) ( [O-] ) [O-] ) [NH3+] ) ( [O-] ) = O | MQVFNFSAGPAMMPKVVLEQAQQELLNWLDQGTSVMEVSHRGKYFMEMITQAEKDFRQLYNIPENYKVLFLQGGARGQFAAIPMNLANKKGKTLYLTSGHWSATAAKEARLFTEVDEINILLDGKLEVGELDFSHIASQYDYVHYCPNETISGVEIVDVPNVGEAVLVADMSSNILSREIDISKFGVIYAGAQKNLGPAGITVVIVREDLIGHARKETPSIWNYEIQSKNSSMINTPPTFAWYLCSLVFKYLLAQGGIKEMAKLNREKAKLLYDFLDQSDFYHNVVAPKNRSLMNVTFTTNNDELNAKFVAEATACGLQALKGHKVLGGMRASIYNAMPIEGIKALIEFMRKFEAENN | tensor([[-1.7705e-01, 6.1509e-02, 2.2638e-02, 1.5855e-01, 3.8696e-02,
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-4.1346e-02, -1.4158e-02, 2.5665e-02, 4.9029e-02, 7.9068e-02]]) |
C ( C ( = O ) C ( [O-] ) = O ) C C ( [O-] ) = O . P ( O C [C@@H] ( C ( [O-] ) = O ) [NH3+] ) ( [O-] ) ( [O-] ) = O | C ( [O-] ) ( = O ) C ( = O ) C O P ( = O ) ( [O-] ) [O-] . C ( [C@H] ( C C C ( = O ) [O-] ) [NH3+] ) ( = O ) [O-] | MKKYNFNPGPSILPQETVNNTARAITNFSNSGLSLMEISHRSKDFQLMINETIVLFKELLSIPEGYSVLFLGGGASLQFCMVPYNLLETKAAYLNSGAWASKAIKEARLFGEIIEVASSREANFSYIPKNYIVPSDSDYFHITTNNTIFGTEIHHDIESSVPLVADMSSDIFSRPINISKYGLIYGGAQKNLGPAGVTFVIVKDSLLGNVSRPIPSMLDYRIHIKNESMFNTPPVVPIYASLQTLKWLKTLGGVEEVYKKNKEKATFLYEEIDRNRLFKGIAATEDRSLMNVCFIMNDEYKNLESAFQQFASSKGMVGIKGHRSVGGFRASIYNALPKESIKALVSVMREFEKIHCKGI | tensor([[-2.4981e-01, 4.4313e-02, 3.4508e-02, 7.2816e-02, 6.6250e-02,
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4.6629e-02, 4.0563e-02, 2.0033e-03, -5.3684e-03, 1.1563e-01]]) |
[O-] C ( [C@@H] ( [NH3+] ) C C C ( [O-] ) = O ) = O . P ( = O ) ( [O-] ) ( O C C ( C ( = O ) [O-] ) = O ) [O-] | [O-] C ( = O ) C C C ( = O ) C ( = O ) [O-] . [O-] C ( [C@H] ( C O P ( = O ) ( [O-] ) [O-] ) [NH3+] ) = O | MKKYNFNPGPSILPQETVNNTARAITNFSNSGLSLMEISHRSKDFQLMINETIVLFKELLSIPEGYSVLFLGGGASLQFCMVPYNLLETKAAYLNSGAWASKAIKEARLFGEIIEVASSREANFSYIPKNYIVPSDSDYFHITTNNTIFGTEIHHDIESSVPLVADMSSDIFSRPINISKYGLIYGGAQKNLGPAGVTFVIVKDSLLGNVSRPIPSMLDYRIHIKNESMFNTPPVVPIYASLQTLKWLKTLGGVEEVYKKNKEKATFLYEEIDRNRLFKGIAATEDRSLMNVCFIMNDEYKNLESAFQQFASSKGMVGIKGHRSVGGFRASIYNALPKESIKALVSVMREFEKIHCKGI | tensor([[-2.4981e-01, 4.4313e-02, 3.4508e-02, 7.2816e-02, 6.6250e-02,
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O = C ( C ( = O ) [O-] ) C C C ( [O-] ) = O . O = P ( O C [C@@H] ( C ( = O ) [O-] ) [NH3+] ) ( [O-] ) [O-] | [O-] C ( [C@H] ( C C C ( = O ) [O-] ) [NH3+] ) = O . C ( C ( = O ) [O-] ) ( C O P ( [O-] ) ( [O-] ) = O ) = O | MVKQVFNFNAGPSALPKPALERAQKELLNFNDTQMSVMELSHRSQSYEEVHEQAQNLLRELLQIPNDYQILFLQGGASLQFTMLPMNLLTKGTIGNYVLTGSWSEKALKEAKLLGETHIAASTKANSYQSIPDFSEFQLNENDAYLHITSNNTIYGTQYQNFPEINHAPLIADMSSDILSRPLKVNQFGMIYAGAQKNLGPSGVTVVIVKKDLLNTKVEQVPTMLQYATHIKSDSLYNTPPTFSIYMLRNVLDWIKDLGGAEAIAKQNEEKAKIIYDTIDESNGFYVGHAEKGSRSLMNVTFNLRNEELNQQFLAKAKEQGFVGLNGHRSVGGCRASIYNAVPIDACIALRELMIQFKENA | tensor([[-1.7288e-01, 7.8498e-02, 9.0960e-03, 2.0027e-01, 7.0861e-02,
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C ( = O ) ( C C [C@@H] ( C ( = O ) [O-] ) [NH3+] ) [O-] . [O-] P ( O C C ( = O ) C ( [O-] ) = O ) ( [O-] ) = O | [O-] C ( = O ) [C@@H] ( [NH3+] ) C O P ( = O ) ( [O-] ) [O-] . O = C ( C ( = O ) [O-] ) C C C ( = O ) [O-] | MVKQVFNFNAGPSALPKPALERAQKELLNFNDTQMSVMELSHRSQSYEEVHEQAQNLLRELLQIPNDYQILFLQGGASLQFTMLPMNLLTKGTIGNYVLTGSWSEKALKEAKLLGETHIAASTKANSYQSIPDFSEFQLNENDAYLHITSNNTIYGTQYQNFPEINHAPLIADMSSDILSRPLKVNQFGMIYAGAQKNLGPSGVTVVIVKKDLLNTKVEQVPTMLQYATHIKSDSLYNTPPTFSIYMLRNVLDWIKDLGGAEAIAKQNEEKAKIIYDTIDESNGFYVGHAEKGSRSLMNVTFNLRNEELNQQFLAKAKEQGFVGLNGHRSVGGCRASIYNAVPIDACIALRELMIQFKENA | tensor([[-1.7288e-01, 7.8498e-02, 9.0960e-03, 2.0027e-01, 7.0861e-02,
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-4.5589e-02, 1.0122e-02, -3.9242e-03, 7.1329e-02, 5.2342e-02]]) |
P ( = O ) ( [O-] ) ( [O-] ) O C [C@H] ( [NH3+] ) C ( = O ) [O-] . C ( [O-] ) ( = O ) C C C ( C ( = O ) [O-] ) = O | C ( [O-] ) ( C C [C@H] ( [NH3+] ) C ( [O-] ) = O ) = O . O = C ( C ( [O-] ) = O ) C O P ( [O-] ) ( = O ) [O-] | MSKRIYNFNPGPAALPLSVLEEIQATFLDFAGTGMSITEVSHRSKPFDAIINDAVTRVKRLLGIGDDFKVLFVQGGASMQFAMVPMNLLPDGKSADYVNTGTWSTKAIKETKILGKTVNVAASSEDRNFAYIPKELSLDPNAAYVHITSNNTIKGTQWADFPDTKGVPIVSDMSSDILSRPLDMSKFGLIYAGAQKNIGPAGVCMVIVKNDLLEKANTGLPSMLAYKTYADSNSLYNTPPCFTIYAIDLVLKWLEETIGGLEKMDAVNREKAALLYDLFDASSFYNGTADADSRSLMNVTFRLPSEDLEKRFVEEATKNDLGGLKGHRSVGGCRASIYNAMSMEGIQALVDFMKEFERTNG | tensor([[-1.5340e-01, -1.3873e-02, -1.5518e-03, 7.2816e-02, 6.9082e-02,
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C ( [O-] ) ( = O ) [C@H] ( C C C ( = O ) [O-] ) [NH3+] . O = C ( C O P ( = O ) ( [O-] ) [O-] ) C ( [O-] ) = O | C ( C ( = O ) [O-] ) C C ( = O ) C ( [O-] ) = O . [C@@H] ( C ( [O-] ) = O ) ( C O P ( [O-] ) ( = O ) [O-] ) [NH3+] | MSKRIYNFNPGPAALPLSVLEEIQATFLDFAGTGMSITEVSHRSKPFDAIINDAVTRVKRLLGIGDDFKVLFVQGGASMQFAMVPMNLLPDGKSADYVNTGTWSTKAIKETKILGKTVNVAASSEDRNFAYIPKELSLDPNAAYVHITSNNTIKGTQWADFPDTKGVPIVSDMSSDILSRPLDMSKFGLIYAGAQKNIGPAGVCMVIVKNDLLEKANTGLPSMLAYKTYADSNSLYNTPPCFTIYAIDLVLKWLEETIGGLEKMDAVNREKAALLYDLFDASSFYNGTADADSRSLMNVTFRLPSEDLEKRFVEEATKNDLGGLKGHRSVGGCRASIYNAMSMEGIQALVDFMKEFERTNG | tensor([[-1.5340e-01, -1.3873e-02, -1.5518e-03, 7.2816e-02, 6.9082e-02,
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5.7396e-04, -2.1960e-02, 5.0615e-02, 1.1411e-02, 1.2426e-01]]) |
[O-] C ( C C C ( = O ) C ( [O-] ) = O ) = O . [NH3+] [C@@H] ( C O P ( [O-] ) ( = O ) [O-] ) C ( = O ) [O-] | C ( C C [C@H] ( [NH3+] ) C ( [O-] ) = O ) ( [O-] ) = O . O = C ( [O-] ) C ( C O P ( [O-] ) ( = O ) [O-] ) = O | MTIYNFSAGPAVLPKDVLQQVQAELVDWHGSGMSVMEMSHRGKEFMGIAAEAEADLRELMAIPANYKVLFLQGGASSQFAMVPMNLLRGKASADYLNTGEWSKKAIKEAKKYAAVNVVASSEDRNFSYAPTQDRWKLDPNAAYVHYTPNETIGGVEIFWTPEAGDVPIAADMSSTILSRPIDVSKYGVIYAGAQKNIGPAGLTIVIVREDLMGETVAGTPTMFDYKIHADNESMYNTPATFAMYTAGLVFKWLKARGGLAGMEKINREKAALLYEALDATDFYASPVAKDNRSLMNVPFTLKDAALDEAFLKGAKERGLLQLKGHRSVGGMRASIYNAMPTEGVKALVDYLHAFEKNHG | tensor([[-1.3992e-01, -2.1062e-02, -5.1763e-02, 1.0035e-01, 9.6403e-03,
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1.5821e-04, -2.2383e-02, 3.0736e-02, -2.9267e-03, 9.5602e-02]]) |
[O-] P ( [O-] ) ( O C C ( C ( = O ) [O-] ) = O ) = O . [O-] C ( = O ) C C [C@@H] ( C ( [O-] ) = O ) [NH3+] | [O-] C ( = O ) [C@H] ( C O P ( = O ) ( [O-] ) [O-] ) [NH3+] . C ( C ( [O-] ) = O ) C C ( C ( = O ) [O-] ) = O | MTIYNFSAGPAVLPKDVLQQVQAELVDWHGSGMSVMEMSHRGKEFMGIAAEAEADLRELMAIPANYKVLFLQGGASSQFAMVPMNLLRGKASADYLNTGEWSKKAIKEAKKYAAVNVVASSEDRNFSYAPTQDRWKLDPNAAYVHYTPNETIGGVEIFWTPEAGDVPIAADMSSTILSRPIDVSKYGVIYAGAQKNIGPAGLTIVIVREDLMGETVAGTPTMFDYKIHADNESMYNTPATFAMYTAGLVFKWLKARGGLAGMEKINREKAALLYEALDATDFYASPVAKDNRSLMNVPFTLKDAALDEAFLKGAKERGLLQLKGHRSVGGMRASIYNAMPTEGVKALVDYLHAFEKNHG | tensor([[-1.3992e-01, -2.1062e-02, -5.1763e-02, 1.0035e-01, 9.6403e-03,
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1.5821e-04, -2.2383e-02, 3.0736e-02, -2.9267e-03, 9.5602e-02]]) |
[O-] P ( = O ) ( [O-] ) O C [C@@H] ( C ( = O ) [O-] ) [NH3+] . C ( C C ( = O ) C ( [O-] ) = O ) C ( = O ) [O-] | C ( C ( [O-] ) = O ) ( C O P ( = O ) ( [O-] ) [O-] ) = O . O = C ( C C [C@H] ( [NH3+] ) C ( = O ) [O-] ) [O-] | MSATFNFCAGPAMLPKPVMDKAQSELLDWNSMGTSVMEISHRSKEFIALTNQAEADLRQLMDIPANYHVLFMHGGGRGQFSAIANNFLGDKGRALYLVDGSWSSAAVEEAKKLVGEENIDTINIVENNNGINSVVLPSLSNIDKDYRYLHYCPNETVDGIEIFDTINSPWPVIADMSSNILSRKIDVNQFALIYAGAQKNIGPSGLSIVIVRNDMLSLPSLPQSSIMDYKLAVKHGSMYNTPPTFAWYLAAEVFAWLKVSGGVDSVELINIEKAMRLYQCIDELDFYKSGVAVENRSRMNVTFQLVNAELDNQFLEEAKQAGLVALKGHRSVGGMRASIYNAMPIEGVIELVKFMQTFAKKHS | tensor([[-1.2350e-01, 4.9915e-02, 2.9356e-02, 1.0689e-01, 8.3502e-02,
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C ( C ( C O P ( [O-] ) ( [O-] ) = O ) = O ) ( [O-] ) = O . O = C ( [O-] ) [C@@H] ( [NH3+] ) C C C ( [O-] ) = O | P ( = O ) ( [O-] ) ( [O-] ) O C [C@@H] ( C ( [O-] ) = O ) [NH3+] . O = C ( [O-] ) C ( C C C ( = O ) [O-] ) = O | MSATFNFCAGPAMLPKPVMDKAQSELLDWNSMGTSVMEISHRSKEFIALTNQAEADLRQLMDIPANYHVLFMHGGGRGQFSAIANNFLGDKGRALYLVDGSWSSAAVEEAKKLVGEENIDTINIVENNNGINSVVLPSLSNIDKDYRYLHYCPNETVDGIEIFDTINSPWPVIADMSSNILSRKIDVNQFALIYAGAQKNIGPSGLSIVIVRNDMLSLPSLPQSSIMDYKLAVKHGSMYNTPPTFAWYLAAEVFAWLKVSGGVDSVELINIEKAMRLYQCIDELDFYKSGVAVENRSRMNVTFQLVNAELDNQFLEEAKQAGLVALKGHRSVGGMRASIYNAMPIEGVIELVKFMQTFAKKHS | tensor([[-1.2350e-01, 4.9915e-02, 2.9356e-02, 1.0689e-01, 8.3502e-02,
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[C@H] ( C O P ( = O ) ( [O-] ) [O-] ) ( C ( = O ) [O-] ) [NH3+] . O = C ( [O-] ) C C C ( = O ) C ( = O ) [O-] | C ( O P ( [O-] ) ( = O ) [O-] ) C ( = O ) C ( [O-] ) = O . [O-] C ( C C [C@@H] ( C ( = O ) [O-] ) [NH3+] ) = O | MSLEREEPQHFGAGPAQMPTPVLQQAAKDLINFNDIGLGIGEISHRSKDATKVIEDSKKHLIELLNIPDTHEVFYLQGGGTTGFSSVATNLAAAYVGKHGKIAPAGYLVTGSWSQKSFEEAKRLHVPAEVIFNAKDYNNGKFGKIPDESLWEDKIKGKAFSYVYLCENETVHGVEWPELPKCLVNDPNIEIVADLSSDILSRKIDVSQYGVIMAGAQKNIGLAGLTLYIIKKSILKNISGASDETLHELGVPITPIAFDYPTVVKNNSAYNTIPIFTLHVMDLVFQHILKKGGVEAQQAENEEKAKILYEALDANSDFYNVPVDPKCRSKMNVVFTLKKDGLDDQFLKEAAARHLTGLKGHRSVGGFRASIYNALSVKAVQNLVDFIKEFAEKNA | tensor([[-1.7737e-01, -6.9724e-02, 3.1724e-02, 3.8668e-02, -3.9888e-02,
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-5.2943e-02, -1.7524e-03, 4.7157e-02, 1.7952e-02, 1.5201e-01]]) |
O = C ( C ( [O-] ) = O ) C O P ( = O ) ( [O-] ) [O-] . [O-] C ( = O ) C C [C@@H] ( C ( = O ) [O-] ) [NH3+] | O = C ( [C@H] ( C O P ( = O ) ( [O-] ) [O-] ) [NH3+] ) [O-] . [O-] C ( C ( = O ) C C C ( = O ) [O-] ) = O | MSLEREEPQHFGAGPAQMPTPVLQQAAKDLINFNDIGLGIGEISHRSKDATKVIEDSKKHLIELLNIPDTHEVFYLQGGGTTGFSSVATNLAAAYVGKHGKIAPAGYLVTGSWSQKSFEEAKRLHVPAEVIFNAKDYNNGKFGKIPDESLWEDKIKGKAFSYVYLCENETVHGVEWPELPKCLVNDPNIEIVADLSSDILSRKIDVSQYGVIMAGAQKNIGLAGLTLYIIKKSILKNISGASDETLHELGVPITPIAFDYPTVVKNNSAYNTIPIFTLHVMDLVFQHILKKGGVEAQQAENEEKAKILYEALDANSDFYNVPVDPKCRSKMNVVFTLKKDGLDDQFLKEAAARHLTGLKGHRSVGGFRASIYNALSVKAVQNLVDFIKEFAEKNA | tensor([[-1.7737e-01, -6.9724e-02, 3.1724e-02, 3.8668e-02, -3.9888e-02,
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-5.2943e-02, -1.7524e-03, 4.7157e-02, 1.7952e-02, 1.5201e-01]]) |
O = C ( [O-] ) [C@@H] ( [NH3+] ) C O P ( [O-] ) ( [O-] ) = O . C ( C ( C C C ( [O-] ) = O ) = O ) ( [O-] ) = O | C ( O P ( [O-] ) ( [O-] ) = O ) C ( C ( [O-] ) = O ) = O . [O-] C ( = O ) C C [C@H] ( [NH3+] ) C ( = O ) [O-] | MDSPRQIVNFGPGPAKLPHSVLLEIQKELLDYKGLGISVLEMSHRSSDFAKIVNNTENLVRELLAVPDNYKVIFLQGGGCGQFSAVPLNLIGLKPGRCADYVVTGAWSAKAAEEAKKFGTVNIVHPKLGSYTKIPDPSTWNLNPDASYVYYCANETVHGVEFDFVPDVKGAILVCDMSSNFLSRPVDVSKFGVIFAGAQKNVGAAGVTVVIVRDDLLGFALRECPSVLEYKVQATSSSLYNTPPCFSIYVMGLVLEWIKNNGGAAAMKKLSTIKSQMIYEIIDNSQGFYVCPVEPRNRSMMNIPFRIGNAKGDEALEKRFLDKALELHMISLKGHRSVGGVRVSLYNAVTIEDVQKLASFMKNFLEMHQL | tensor([[-1.6921e-01, -2.5860e-02, -1.1979e-02, 7.0172e-02, 3.6649e-02,
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5.1561e-03, -5.1750e-03, 4.7711e-02, 1.3129e-02, 1.3241e-01]]) |
O = P ( [O-] ) ( O C C ( = O ) C ( [O-] ) = O ) [O-] . O = C ( [C@@H] ( [NH3+] ) C C C ( = O ) [O-] ) [O-] | C ( C C C ( = O ) [O-] ) ( C ( = O ) [O-] ) = O . [C@H] ( C ( = O ) [O-] ) ( [NH3+] ) C O P ( [O-] ) ( = O ) [O-] | MDSPRQIVNFGPGPAKLPHSVLLEIQKELLDYKGLGISVLEMSHRSSDFAKIVNNTENLVRELLAVPDNYKVIFLQGGGCGQFSAVPLNLIGLKPGRCADYVVTGAWSAKAAEEAKKFGTVNIVHPKLGSYTKIPDPSTWNLNPDASYVYYCANETVHGVEFDFVPDVKGAILVCDMSSNFLSRPVDVSKFGVIFAGAQKNVGAAGVTVVIVRDDLLGFALRECPSVLEYKVQATSSSLYNTPPCFSIYVMGLVLEWIKNNGGAAAMKKLSTIKSQMIYEIIDNSQGFYVCPVEPRNRSMMNIPFRIGNAKGDEALEKRFLDKALELHMISLKGHRSVGGVRVSLYNAVTIEDVQKLASFMKNFLEMHQL | tensor([[-1.6921e-01, -2.5860e-02, -1.1979e-02, 7.0172e-02, 3.6649e-02,
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5.1561e-03, -5.1750e-03, 4.7711e-02, 1.3129e-02, 1.3241e-01]]) |
[O-] C ( = O ) C ( C C C ( = O ) [O-] ) = O . [O-] C ( = O ) [C@H] ( C O P ( [O-] ) ( = O ) [O-] ) [NH3+] | [O-] P ( [O-] ) ( O C C ( C ( [O-] ) = O ) = O ) = O . [NH3+] [C@H] ( C ( [O-] ) = O ) C C C ( [O-] ) = O | MSATYNFCAGPAMLPQAVMEKAQSELLDWNGLGTSVMEISHRSKEFIALTEQAEIDLRELMSIPSNYHVLFMHGGGRGQFSAVVNNFLGNNGKALYLVDGSWSSAAVDEAKKLAGETQIDTLNIVEKDGATSRVSIPNLKELDQDYRYLHYCPNETVDGIEIFEELDSPWPIVADMSSNIMSREIDVSRYGLIYAGAQKNIGPSGLSIVIVKDELLQLPQLPQSSIMDYRLGVKHGSMYNTPPTFAWYLAAEVFKWLKSSGGVGEVQKANERKAGTLYQFIDSCDFYENRVAVENRSVMNVTFYLKDEALNDEFIKQAKAVGLVALKGHRSVGGMRASIYNAMPLEGVEKLVEFMTDFANKNRA | tensor([[-1.4861e-01, 5.6774e-02, 2.4026e-02, 1.0212e-01, 7.1377e-02,
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[O-] C ( C ( = O ) C O P ( = O ) ( [O-] ) [O-] ) = O . C ( [C@@H] ( C ( = O ) [O-] ) [NH3+] ) C C ( = O ) [O-] | C ( = O ) ( [O-] ) C ( C C C ( [O-] ) = O ) = O . [C@H] ( [NH3+] ) ( C O P ( [O-] ) ( = O ) [O-] ) C ( [O-] ) = O | MSATYNFCAGPAMLPQAVMEKAQSELLDWNGLGTSVMEISHRSKEFIALTEQAEIDLRELMSIPSNYHVLFMHGGGRGQFSAVVNNFLGNNGKALYLVDGSWSSAAVDEAKKLAGETQIDTLNIVEKDGATSRVSIPNLKELDQDYRYLHYCPNETVDGIEIFEELDSPWPIVADMSSNIMSREIDVSRYGLIYAGAQKNIGPSGLSIVIVKDELLQLPQLPQSSIMDYRLGVKHGSMYNTPPTFAWYLAAEVFKWLKSSGGVGEVQKANERKAGTLYQFIDSCDFYENRVAVENRSVMNVTFYLKDEALNDEFIKQAKAVGLVALKGHRSVGGMRASIYNAMPLEGVEKLVEFMTDFANKNRA | tensor([[-1.4861e-01, 5.6774e-02, 2.4026e-02, 1.0212e-01, 7.1377e-02,
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O [C@H] 1 [C@H] ( [C@H] ( n 2 c 3 n c n c ( N ) c 3 n c 2 ) O [C@@H] 1 C [S+] ( C ) C C [C@H] ( [NH3+] ) C ( [O-] ) = O ) O . [C@H] 1 ( [C@H] ( O ) [C@H] ( O ) [C@H] ( O [C@H] 1 O C [C@H] 1 / C = C ( C ) / C = C / C ( = O ) [C@H] ( C ) C [C@@H] ( [C@@H] ( [C@H] ( [C@H] ( O ) C C ( = O ) O [C@@H] 1 C C ) C ) O [C@H] 1 [C@H] ( O ) [C@@H] ( [NH+] ( C ) C ) [C@H] ( O [C@@H] 2 O [C@H] ( [C@@H] ( [C@] ( C ) ( O ) C 2 ) O ) C ) [C@@H] ( C ) O 1 ) C C = O ) C ) O | [C@@H] 1 ( n 2 c 3 c ( c ( N ) n c n 3 ) n c 2 ) O [C@H] ( C S C C [C@@H] ( C ( = O ) [O-] ) [NH3+] ) [C@@H] ( O ) [C@H] 1 O . O [C@@H] 1 [C@H] ( O [C@H] ( [C@H] ( O C ) [C@@H] 1 O ) O C [C@@H] 1 [C@H] ( O C ( = O ) C [C@@H] ( O ) [C@H] ( C ) [C@@H] ( O [C@@H] 2 O [C@H] ( C ) [C@H] ( [C@H] ( [NH+] ( C ) C ) [C@H] 2 O ) O [C@H] 2 C [C@@] ( [C@@H] ( O ) [C@H] ( C ) O 2 ) ( C ) O ) [C@H] ( C [C@@H] ( C ) C ( / C = C / C ( C ) = C / 1 ) = O ) C C = O ) C C ) C . [H+] | MAVQKEATLVRQIIRAAGGHAADVRELVAEHGPEAVTAVLVDEIVSRAPHPVNDVPVLVELAVRSGDALVPRRLAVAQGAPVRRAAPDDDGFVAMRVEYELDELVRELFGPCRERAAGTRGTTLFPYATSGTGHIDTYFLAAQQATATVLAGCTSAKPDLNELTSRYLTPKWGSLHWFTPHYDRHFREYRNEEVRVLEIGIGGYQHPEWGGGSLRMWKHFFHRGLIYGLDIEDKSHAEEQRITTVVGDQNDPGCLTELAARYGPFDIVIDDGSHINEHVRTSFHALFPHVRPGGLYVIEDLWTAYWPGFGGDSDPGKSDLTSLGLVKSLVDSLQHQELPEDSGRSPGYADRHVVGLHVYHNLAFIEKGVNSEGGIPGWIPRDFDALVAASSGGAA | tensor([[ 1.5459e-01, 4.2101e-02, -2.5977e-02, -2.6742e-02, -5.1892e-02,
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C ( S C C [C@@H] ( C ( [O-] ) = O ) [NH3+] ) [C@@H] 1 [C@H] ( [C@H] ( [C@H] ( n 2 c n c 3 c 2 n c n c 3 N ) O 1 ) O ) O . C ( C ) [C@H] 1 O C ( = O ) C [C@H] ( [C@H] ( C ) [C@H] ( [C@@H] ( C C = O ) C [C@@H] ( C ) C ( / C = C / C ( = C / [C@@H] 1 C O [C@H] 1 [C@H] ( O C ) [C@H] ( O ) [C@H] ( O ) [C@@H] ( C ) O 1 ) C ) = O ) O [C@H] 1 [C@H] ( O ) [C@@H] ( [NH+] ( C ) C ) [C@H] ( O [C@H] 2 C [C@@] ( [C@@H] ( O ) [C@H] ( C ) O 2 ) ( C ) O ) [C@H] ( O 1 ) C ) O . [H+] | C ( [C@H] 1 O [C@@H] ( n 2 c n c 3 c ( n c n c 2 3 ) N ) [C@@H] ( [C@@H] 1 O ) O ) [S+] ( C C [C@H] ( [NH3+] ) C ( [O-] ) = O ) C . [NH+] ( C ) ( C ) [C@@H] 1 [C@H] ( [C@H] ( O [C@H] 2 [C@H] ( C [C@H] ( C ( = O ) / C = C / C ( C ) = C / [C@H] ( C O [C@H] 3 [C@H] ( O ) [C@@H] ( [C@H] ( O ) [C@H] ( O 3 ) C ) O ) [C@H] ( O C ( = O ) C [C@@H] ( O ) [C@@H] 2 C ) C C ) C ) C C = O ) O [C@@H] ( [C@H] 1 O [C@H] 1 C [C@] ( [C@@H] ( O ) [C@@H] ( O 1 ) C ) ( O ) C ) C ) O | MAVQKEATLVRQIIRAAGGHAADVRELVAEHGPEAVTAVLVDEIVSRAPHPVNDVPVLVELAVRSGDALVPRRLAVAQGAPVRRAAPDDDGFVAMRVEYELDELVRELFGPCRERAAGTRGTTLFPYATSGTGHIDTYFLAAQQATATVLAGCTSAKPDLNELTSRYLTPKWGSLHWFTPHYDRHFREYRNEEVRVLEIGIGGYQHPEWGGGSLRMWKHFFHRGLIYGLDIEDKSHAEEQRITTVVGDQNDPGCLTELAARYGPFDIVIDDGSHINEHVRTSFHALFPHVRPGGLYVIEDLWTAYWPGFGGDSDPGKSDLTSLGLVKSLVDSLQHQELPEDSGRSPGYADRHVVGLHVYHNLAFIEKGVNSEGGIPGWIPRDFDALVAASSGGAA | tensor([[ 1.5459e-01, 4.2101e-02, -2.5977e-02, -2.6742e-02, -5.1892e-02,
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[O-] C ( [C@H] ( C C [S+] ( C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@H] ( n 2 c n c 3 c 2 n c n c 3 N ) O 1 ) O ) C ) [NH3+] ) = O . O ( C [C@@H] 1 [C@H] ( O C ( C [C@@H] ( O ) [C@@H] ( [C@@H] ( O [C@H] 2 [C@H] ( O ) [C@@H] ( [NH+] ( C ) C ) [C@@H] ( [C@@H] ( C ) O 2 ) O [C@H] 2 C [C@] ( O ) ( C ) [C@H] ( [C@H] ( C ) O 2 ) O ) [C@@H] ( C C = O ) C [C@H] ( C ( = O ) / C = C / C ( = C / 1 ) C ) C ) C ) = O ) C C ) [C@H] 1 [C@H] ( O ) [C@@H] ( [C@@H] ( [C@H] ( O 1 ) C ) O ) O | [C@H] ( [NH3+] ) ( C C S C [C@@H] 1 [C@@H] ( O ) [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c n c 2 c 1 n c n c 2 N ) C ( [O-] ) = O . [C@@H] 1 ( [C@@H] ( [C@] ( C ) ( O ) C [C@H] ( O [C@@H] 2 [C@H] ( O [C@H] ( [C@@H] ( [C@H] 2 [NH+] ( C ) C ) O ) O [C@@H] 2 [C@H] ( [C@@H] ( C C ( = O ) O [C@@H] ( [C@@H] ( C O [C@H] 3 [C@H] ( O C ) [C@H] ( O ) [C@@H] ( [C@@H] ( C ) O 3 ) O ) / C = C ( C ) / C = C / C ( = O ) [C@H] ( C ) C [C@@H] 2 C C = O ) C C ) O ) C ) C ) O 1 ) O ) C . [H+] | MAVQKEATLVRQIIRAAGGHAADVRELVAEHGPEAVTAVLVDEIVSRAPHPVNDVPVLVELAVRSGDALVPRRLAVAQGAPVRRAAPDDDGFVAMRVEYELDELVRELFGPCRERAAGTRGTTLFPYATSGTGHIDTYFLAAQQATATVLAGCTSAKPDLNELTSRYLTPKWGSLHWFTPHYDRHFREYRNEEVRVLEIGIGGYQHPEWGGGSLRMWKHFFHRGLIYGLDIEDKSHAEEQRITTVVGDQNDPGCLTELAARYGPFDIVIDDGSHINEHVRTSFHALFPHVRPGGLYVIEDLWTAYWPGFGGDSDPGKSDLTSLGLVKSLVDSLQHQELPEDSGRSPGYADRHVVGLHVYHNLAFIEKGVNSEGGIPGWIPRDFDALVAASSGGAA | tensor([[ 1.5459e-01, 4.2101e-02, -2.5977e-02, -2.6742e-02, -5.1892e-02,
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[C@H] 1 ( [C@H] ( O C ( = O ) C [C@H] ( [C@H] ( C ) [C@@H] ( O [C@H] 2 [C@@H] ( [C@@H] ( [NH+] ( C ) C ) [C@H] ( O [C@H] 3 C [C@@] ( C ) ( O ) [C@@H] ( O ) [C@H] ( C ) O 3 ) [C@@H] ( C ) O 2 ) O ) [C@@H] ( C C = O ) C [C@@H] ( C ) C ( = O ) / C = C / C ( = C / 1 ) C ) O ) C C ) C O [C@H] 1 [C@H] ( O C ) [C@@H] ( [C@@H] ( [C@@H] ( C ) O 1 ) O ) O . [H+] . c 1 n c ( c 2 n c n ( [C@@H] 3 O [C@@H] ( [C@@H] ( O ) [C@H] 3 O ) C S C C [C@H] ( [NH3+] ) C ( = O ) [O-] ) c 2 n 1 ) N | C [S+] ( C C [C@@H] ( C ( [O-] ) = O ) [NH3+] ) C [C@H] 1 O [C@@H] ( n 2 c 3 c ( c ( N ) n c n 3 ) n c 2 ) [C@@H] ( [C@@H] 1 O ) O . C 1 / [C@H] ( C O [C@H] 2 [C@H] ( O ) [C@@H] ( [C@H] ( O ) [C@@H] ( C ) O 2 ) O ) [C@@H] ( C C ) O C ( C [C@@H] ( O ) [C@@H] ( [C@@H] ( O [C@@H] 2 O [C@H] ( C ) [C@H] ( [C@@H] ( [C@H] 2 O ) [NH+] ( C ) C ) O [C@H] 2 C [C@] ( [C@H] ( [C@H] ( C ) O 2 ) O ) ( O ) C ) [C@@H] ( C C = O ) C [C@@H] ( C ) C ( / C = C / C = 1 C ) = O ) C ) = O | MAVQKEATLVRQIIRAAGGHAADVRELVAEHGPEAVTAVLVDEIVSRAPHPVNDVPVLVELAVRSGDALVPRRLAVAQGAPVRRAAPDDDGFVAMRVEYELDELVRELFGPCRERAAGTRGTTLFPYATSGTGHIDTYFLAAQQATATVLAGCTSAKPDLNELTSRYLTPKWGSLHWFTPHYDRHFREYRNEEVRVLEIGIGGYQHPEWGGGSLRMWKHFFHRGLIYGLDIEDKSHAEEQRITTVVGDQNDPGCLTELAARYGPFDIVIDDGSHINEHVRTSFHALFPHVRPGGLYVIEDLWTAYWPGFGGDSDPGKSDLTSLGLVKSLVDSLQHQELPEDSGRSPGYADRHVVGLHVYHNLAFIEKGVNSEGGIPGWIPRDFDALVAASSGGAA | tensor([[ 1.5459e-01, 4.2101e-02, -2.5977e-02, -2.6742e-02, -5.1892e-02,
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C [S+] ( C [C@H] 1 O [C@H] ( [C@@H] ( [C@@H] 1 O ) O ) n 1 c 2 c ( c ( N ) n c n 2 ) n c 1 ) C C [C@H] ( [NH3+] ) C ( = O ) [O-] . [C@H] 1 ( [C@@H] ( O ) [C@@H] ( O [C@@H] ( [C@H] 1 O [C@@H] 1 O [C@H] ( [C@@H] ( [C@] ( C 1 ) ( C ) O ) O ) C ) C ) O [C@@H] 1 [C@H] ( [C@@H] ( C C ( = O ) O [C@H] ( C C ) [C@@H] ( C O [C@H] 2 [C@@H] ( [C@H] ( O ) [C@@H] ( [C@@H] ( C ) O 2 ) O ) O ) / C = C ( C ) / C = C / C ( [C@H] ( C ) C [C@@H] 1 C C = O ) = O ) O ) C ) [NH+] ( C ) C | [NH+] ( [C@H] 1 [C@H] ( O [C@H] 2 C [C@] ( O ) ( C ) [C@@H] ( O ) [C@@H] ( O 2 ) C ) [C@H] ( O [C@H] ( [C@@H] 1 O ) O [C@H] 1 [C@@H] ( C C = O ) C [C@@H] ( C ) C ( / C = C / C ( C ) = C / [C@H] ( C O [C@@H] 2 O [C@H] ( C ) [C@@H] ( O ) [C@H] ( [C@H] 2 O C ) O ) [C@@H] ( C C ) O C ( = O ) C [C@H] ( [C@@H] 1 C ) O ) = O ) C ) ( C ) C . [H+] . n 1 c ( c 2 c ( n ( [C@@H] 3 O [C@H] ( C S C C [C@H] ( [NH3+] ) C ( [O-] ) = O ) [C@H] ( [C@H] 3 O ) O ) c n 2 ) n c 1 ) N | MAVQKEATLVRQIIRAAGGHAADVRELVAEHGPEAVTAVLVDEIVSRAPHPVNDVPVLVELAVRSGDALVPRRLAVAQGAPVRRAAPDDDGFVAMRVEYELDELVRELFGPCRERAAGTRGTTLFPYATSGTGHIDTYFLAAQQATATVLAGCTSAKPDLNELTSRYLTPKWGSLHWFTPHYDRHFREYRNEEVRVLEIGIGGYQHPEWGGGSLRMWKHFFHRGLIYGLDIEDKSHAEEQRITTVVGDQNDPGCLTELAARYGPFDIVIDDGSHINEHVRTSFHALFPHVRPGGLYVIEDLWTAYWPGFGGDSDPGKSDLTSLGLVKSLVDSLQHQELPEDSGRSPGYADRHVVGLHVYHNLAFIEKGVNSEGGIPGWIPRDFDALVAASSGGAA | tensor([[ 1.5459e-01, 4.2101e-02, -2.5977e-02, -2.6742e-02, -5.1892e-02,
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C ( C [C@@H] ( C ( [O-] ) = O ) [NH3+] ) S C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@@H] ( O 1 ) n 1 c n c 2 c ( n c n c 2 1 ) N ) O . O 1 [C@@H] ( [C@H] ( / C = C ( C ) / C = C / C ( = O ) [C@H] ( C ) C [C@@H] ( [C@H] ( O [C@@H] 2 O [C@@H] ( [C@@H] ( O [C@H] 3 C [C@@] ( [C@H] ( [C@H] ( C ) O 3 ) O ) ( C ) O ) [C@H] ( [NH+] ( C ) C ) [C@H] 2 O ) C ) [C@@H] ( C ) [C@H] ( O ) C C 1 = O ) C C = O ) C O [C@@H] 1 O [C@H] ( C ) [C@@H] ( O ) [C@@H] ( O ) [C@H] 1 O C ) C C . [H+] | [C@@H] 1 ( O [C@H] ( [C@@H] ( [C@@H] ( [C@@H] 1 O ) O ) O ) O C [C@@H] 1 [C@H] ( O C ( = O ) C [C@@H] ( O ) [C@H] ( C ) [C@@H] ( O [C@H] 2 [C@@H] ( [C@@H] ( [NH+] ( C ) C ) [C@@H] ( [C@H] ( O 2 ) C ) O [C@@H] 2 O [C@@H] ( C ) [C@H] ( O ) [C@] ( O ) ( C 2 ) C ) O ) [C@@H] ( C C = O ) C [C@@H] ( C ) C ( / C = C / C ( C ) = C / 1 ) = O ) C C ) C . c 1 n c 2 c ( c ( N ) n 1 ) n c n 2 [C@H] 1 [C@@H] ( [C@@H] ( [C@H] ( O 1 ) C [S+] ( C ) C C [C@@H] ( C ( [O-] ) = O ) [NH3+] ) O ) O | MAVQKEATLVRQIIRAAGGHAADVRELVAEHGPEAVTAVLVDEIVSRAPHPVNDVPVLVELAVRSGDALVPRRLAVAQGAPVRRAAPDDDGFVAMRVEYELDELVRELFGPCRERAAGTRGTTLFPYATSGTGHIDTYFLAAQQATATVLAGCTSAKPDLNELTSRYLTPKWGSLHWFTPHYDRHFREYRNEEVRVLEIGIGGYQHPEWGGGSLRMWKHFFHRGLIYGLDIEDKSHAEEQRITTVVGDQNDPGCLTELAARYGPFDIVIDDGSHINEHVRTSFHALFPHVRPGGLYVIEDLWTAYWPGFGGDSDPGKSDLTSLGLVKSLVDSLQHQELPEDSGRSPGYADRHVVGLHVYHNLAFIEKGVNSEGGIPGWIPRDFDALVAASSGGAA | tensor([[ 1.5459e-01, 4.2101e-02, -2.5977e-02, -2.6742e-02, -5.1892e-02,
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[C@H] 1 ( O [C@H] ( C ) [C@@H] ( O ) [C@@H] ( O ) [C@H] 1 O ) O C [C@H] 1 / C = C ( C ) / C = C / C ( [C@H] ( C ) C [C@@H] ( [C@H] ( O [C@H] 2 [C@@H] ( [C@@H] ( [NH+] ( C ) C ) [C@H] ( O [C@H] 3 C [C@] ( C ) ( [C@H] ( [C@H] ( C ) O 3 ) O ) O ) [C@H] ( O 2 ) C ) O ) [C@@H] ( C ) [C@H] ( O ) C C ( = O ) O [C@@H] 1 C C ) C C = O ) = O . N c 1 n c n c 2 n ( c n c 1 2 ) [C@@H] 1 O [C@@H] ( [C@H] ( [C@H] 1 O ) O ) C [S+] ( C C [C@@H] ( C ( [O-] ) = O ) [NH3+] ) C | O = C ( [O-] ) [C@H] ( C C S C [C@@H] 1 [C@H] ( [C@H] ( [C@H] ( n 2 c n c 3 c ( n c n c 2 3 ) N ) O 1 ) O ) O ) [NH3+] . C ( O [C@@H] 1 O [C@H] ( C ) [C@@H] ( O ) [C@@H] ( O ) [C@H] 1 O C ) [C@H] 1 / C = C ( C ) / C = C / C ( [C@H] ( C ) C [C@@H] ( [C@@H] ( [C@H] ( [C@H] ( O ) C C ( O [C@@H] 1 C C ) = O ) C ) O [C@H] 1 [C@H] ( O ) [C@@H] ( [NH+] ( C ) C ) [C@@H] ( [C@H] ( O 1 ) C ) O [C@@H] 1 O [C@@H] ( C ) [C@H] ( O ) [C@] ( O ) ( C 1 ) C ) C C = O ) = O . [H+] | MAVQKEATLVRQIIRAAGGHAADVRELVAEHGPEAVTAVLVDEIVSRAPHPVNDVPVLVELAVRSGDALVPRRLAVAQGAPVRRAAPDDDGFVAMRVEYELDELVRELFGPCRERAAGTRGTTLFPYATSGTGHIDTYFLAAQQATATVLAGCTSAKPDLNELTSRYLTPKWGSLHWFTPHYDRHFREYRNEEVRVLEIGIGGYQHPEWGGGSLRMWKHFFHRGLIYGLDIEDKSHAEEQRITTVVGDQNDPGCLTELAARYGPFDIVIDDGSHINEHVRTSFHALFPHVRPGGLYVIEDLWTAYWPGFGGDSDPGKSDLTSLGLVKSLVDSLQHQELPEDSGRSPGYADRHVVGLHVYHNLAFIEKGVNSEGGIPGWIPRDFDALVAASSGGAA | tensor([[ 1.5459e-01, 4.2101e-02, -2.5977e-02, -2.6742e-02, -5.1892e-02,
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C ( = O ) ( [O-] ) [C@@H] ( [NH3+] ) C C S C [C@H] 1 O [C@H] ( [C@H] ( O ) [C@@H] 1 O ) n 1 c n c 2 c ( n c n c 1 2 ) N . C ( C ) [C@@H] 1 [C@@H] ( C O [C@@H] 2 O [C@@H] ( [C@@H] ( O ) [C@H] ( [C@H] 2 O C ) O ) C ) / C = C ( C ) / C = C / C ( [C@H] ( C ) C [C@H] ( C C = O ) [C@H] ( O [C@@H] 2 O [C@@H] ( [C@@H] ( O [C@@H] 3 O [C@@H] ( C ) [C@H] ( O ) [C@] ( O ) ( C 3 ) C ) [C@H] ( [NH+] ( C ) C ) [C@H] 2 O ) C ) [C@@H] ( C ) [C@H] ( O ) C C ( = O ) O 1 ) = O . [H+] | C [NH+] ( [C@H] 1 [C@@H] ( [C@@H] ( C ) O [C@@H] ( O [C@@H] 2 [C@@H] ( C ) [C@@H] ( C C ( = O ) O [C@H] ( C C ) [C@H] ( / C = C ( / C = C / C ( [C@H] ( C ) C [C@@H] 2 C C = O ) = O ) C ) C O [C@H] 2 [C@@H] ( [C@H] ( O ) [C@H] ( O ) [C@@H] ( C ) O 2 ) O ) O ) [C@@H] 1 O ) O [C@H] 1 C [C@] ( C ) ( [C@H] ( [C@@H] ( O 1 ) C ) O ) O ) C . n 1 ( c 2 n c n c ( c 2 n c 1 ) N ) [C@@H] 1 O [C@H] ( C [S+] ( C ) C C [C@H] ( [NH3+] ) C ( [O-] ) = O ) [C@@H] ( O ) [C@H] 1 O | MAVQKEATLVRQIIRAAGGHAADVRELVAEHGPEAVTAVLVDEIVSRAPHPVNDVPVLVELAVRSGDALVPRRLAVAQGAPVRRAAPDDDGFVAMRVEYELDELVRELFGPCRERAAGTRGTTLFPYATSGTGHIDTYFLAAQQATATVLAGCTSAKPDLNELTSRYLTPKWGSLHWFTPHYDRHFREYRNEEVRVLEIGIGGYQHPEWGGGSLRMWKHFFHRGLIYGLDIEDKSHAEEQRITTVVGDQNDPGCLTELAARYGPFDIVIDDGSHINEHVRTSFHALFPHVRPGGLYVIEDLWTAYWPGFGGDSDPGKSDLTSLGLVKSLVDSLQHQELPEDSGRSPGYADRHVVGLHVYHNLAFIEKGVNSEGGIPGWIPRDFDALVAASSGGAA | tensor([[ 1.5459e-01, 4.2101e-02, -2.5977e-02, -2.6742e-02, -5.1892e-02,
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C [C@@] 1 ( O ) C [C@H] ( O [C@H] 2 [C@@H] ( [C@H] ( [C@H] ( O [C@H] 3 [C@@H] ( C C = O ) C [C@H] ( C ( = O ) / C = C / C ( = C / [C@@H] ( [C@H] ( O C ( C [C@H] ( [C@@H] 3 C ) O ) = O ) C C ) C O [C@H] 3 [C@@H] ( [C@@H] ( [C@H] ( O ) [C@@H] ( C ) O 3 ) O ) O ) C ) C ) O [C@@H] 2 C ) O ) [NH+] ( C ) C ) O [C@@H] ( C ) [C@@H] 1 O . c 1 n ( [C@H] 2 [C@H] ( O ) [C@H] ( O ) [C@@H] ( C [S+] ( C C [C@@H] ( C ( [O-] ) = O ) [NH3+] ) C ) O 2 ) c 2 n c n c ( N ) c 2 n 1 | [O-] C ( [C@H] ( C C S C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@H] ( n 2 c 3 c ( c ( N ) n c n 3 ) n c 2 ) O 1 ) O ) [NH3+] ) = O . [C@@H] 1 ( C ) O [C@H] ( C [C@@] ( C ) ( O ) [C@H] 1 O ) O [C@@H] 1 [C@H] ( O [C@H] ( [C@H] ( O ) [C@H] 1 [NH+] ( C ) C ) O [C@@H] 1 [C@@H] ( C ) [C@@H] ( C C ( O [C@@H] ( [C@H] ( / C = C ( C ) / C = C / C ( = O ) [C@H] ( C ) C [C@@H] 1 C C = O ) C O [C@H] 1 [C@H] ( O C ) [C@H] ( O ) [C@@H] ( [C@@H] ( C ) O 1 ) O ) C C ) = O ) O ) C . [H+] | MAVQKEATLVRQIIRAAGGHAADVRELVAEHGPEAVTAVLVDEIVSRAPHPVNDVPVLVELAVRSGDALVPRRLAVAQGAPVRRAAPDDDGFVAMRVEYELDELVRELFGPCRERAAGTRGTTLFPYATSGTGHIDTYFLAAQQATATVLAGCTSAKPDLNELTSRYLTPKWGSLHWFTPHYDRHFREYRNEEVRVLEIGIGGYQHPEWGGGSLRMWKHFFHRGLIYGLDIEDKSHAEEQRITTVVGDQNDPGCLTELAARYGPFDIVIDDGSHINEHVRTSFHALFPHVRPGGLYVIEDLWTAYWPGFGGDSDPGKSDLTSLGLVKSLVDSLQHQELPEDSGRSPGYADRHVVGLHVYHNLAFIEKGVNSEGGIPGWIPRDFDALVAASSGGAA | tensor([[ 1.5459e-01, 4.2101e-02, -2.5977e-02, -2.6742e-02, -5.1892e-02,
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[H+] . C [C@@H] 1 C [C@H] ( C C = O ) [C@H] ( O [C@H] 2 [C@H] ( O ) [C@H] ( [C@H] ( O [C@H] 3 C [C@] ( O ) ( C ) [C@@H] ( O ) [C@H] ( C ) O 3 ) [C@@H] ( C ) O 2 ) [NH+] ( C ) C ) [C@H] ( [C@@H] ( C C ( O [C@H] ( C C ) [C@@H] ( C O [C@@H] 2 O [C@H] ( C ) [C@H] ( [C@@H] ( O ) [C@H] 2 O C ) O ) / C = C ( / C = C / C 1 = O ) C ) = O ) O ) C . n 1 c 2 c ( c ( N ) n c 1 ) n c n 2 [C@@H] 1 O [C@@H] ( [C@@H] ( O ) [C@H] 1 O ) C S C C [C@H] ( [NH3+] ) C ( [O-] ) = O | C 1 / C ( C ) = C / [C@@H] ( [C@@H] ( C C ) O C ( C [C@H] ( [C@H] ( C ) [C@H] ( [C@H] ( C [C@@H] ( C ) C ( = O ) \ C = 1 ) C C = O ) O [C@H] 1 [C@@H] ( [C@H] ( [C@H] ( O [C@H] 2 C [C@@] ( C ) ( O ) [C@H] ( [C@H] ( C ) O 2 ) O ) [C@@H] ( C ) O 1 ) [NH+] ( C ) C ) O ) O ) = O ) C O [C@@H] 1 O [C@H] ( C ) [C@@H] ( O ) [C@H] ( [C@H] 1 O ) O . C ( C [S+] ( C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@@H] ( O 1 ) n 1 c n c 2 c 1 n c n c 2 N ) O ) C ) [C@H] ( [NH3+] ) C ( [O-] ) = O | MAVQKEATLVRQIIRAAGGHAADVRELVAEHGPEAVTAVLVDEIVSRAPHPVNDVPVLVELAVRSGDALVPRRLAVAQGAPVRRAAPDDDGFVAMRVEYELDELVRELFGPCRERAAGTRGTTLFPYATSGTGHIDTYFLAAQQATATVLAGCTSAKPDLNELTSRYLTPKWGSLHWFTPHYDRHFREYRNEEVRVLEIGIGGYQHPEWGGGSLRMWKHFFHRGLIYGLDIEDKSHAEEQRITTVVGDQNDPGCLTELAARYGPFDIVIDDGSHINEHVRTSFHALFPHVRPGGLYVIEDLWTAYWPGFGGDSDPGKSDLTSLGLVKSLVDSLQHQELPEDSGRSPGYADRHVVGLHVYHNLAFIEKGVNSEGGIPGWIPRDFDALVAASSGGAA | tensor([[ 1.5459e-01, 4.2101e-02, -2.5977e-02, -2.6742e-02, -5.1892e-02,
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[C@] 1 ( C ) ( [C@H] ( [C@@H] ( O [C@H] ( C 1 ) O [C@@H] 1 [C@H] ( O [C@@H] ( O [C@H] 2 [C@@H] ( C C = O ) C [C@H] ( C ( / C = C \ C ( = C \ [C@H] ( C O [C@@H] 3 O [C@@H] ( [C@H] ( [C@H] ( [C@H] 3 O ) O ) O ) C ) [C@H] ( O C ( C [C@H] ( [C@@H] 2 C ) O ) = O ) C C ) C ) = O ) C ) [C@@H] ( [C@H] 1 [NH+] ( C ) C ) O ) C ) C ) O ) O . N c 1 n c n c 2 n ( [C@H] 3 [C@@H] ( [C@H] ( O ) [C@H] ( O 3 ) C [S+] ( C ) C C [C@@H] ( C ( = O ) [O-] ) [NH3+] ) O ) c n c 1 2 | [H+] . O [C@H] 1 [C@@H] ( O [C@H] ( C ) [C@@H] ( O [C@H] 2 C [C@] ( O ) ( C ) [C@H] ( [C@H] ( C ) O 2 ) O ) [C@@H] 1 [NH+] ( C ) C ) O [C@H] 1 [C@@H] ( C C = O ) C [C@@H] ( C ) C ( = O ) / C = C / C ( = C / [C@H] ( C O [C@@H] 2 O [C@@H] ( [C@H] ( [C@@H] ( O ) [C@H] 2 O C ) O ) C ) [C@H] ( O C ( = O ) C [C@@H] ( O ) [C@@H] 1 C ) C C ) C . c 1 ( c 2 n c n ( [C@@H] 3 O [C@H] ( C S C C [C@@H] ( C ( [O-] ) = O ) [NH3+] ) [C@@H] ( O ) [C@H] 3 O ) c 2 n c n 1 ) N | MAVQKEATLVRQIIRAAGGHAADVRELVAEHGPEAVTAVLVDEIVSRAPHPVNDVPVLVELAVRSGDALVPRRLAVAQGAPVRRAAPDDDGFVAMRVEYELDELVRELFGPCRERAAGTRGTTLFPYATSGTGHIDTYFLAAQQATATVLAGCTSAKPDLNELTSRYLTPKWGSLHWFTPHYDRHFREYRNEEVRVLEIGIGGYQHPEWGGGSLRMWKHFFHRGLIYGLDIEDKSHAEEQRITTVVGDQNDPGCLTELAARYGPFDIVIDDGSHINEHVRTSFHALFPHVRPGGLYVIEDLWTAYWPGFGGDSDPGKSDLTSLGLVKSLVDSLQHQELPEDSGRSPGYADRHVVGLHVYHNLAFIEKGVNSEGGIPGWIPRDFDALVAASSGGAA | tensor([[ 1.5459e-01, 4.2101e-02, -2.5977e-02, -2.6742e-02, -5.1892e-02,
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[H+] . [C@H] 1 ( [C@@H] ( [C@@H] ( C S C C [C@H] ( [NH3+] ) C ( = O ) [O-] ) O [C@H] 1 n 1 c n c 2 c ( N ) n c n c 2 1 ) O ) O . [C@@H] 1 ( O ) [C@H] ( O [C@@H] ( O C [C@H] 2 / C = C ( C ) / C = C / C ( [C@H] ( C ) C [C@H] ( C C = O ) [C@H] ( O [C@H] 3 [C@@H] ( [C@@H] ( [NH+] ( C ) C ) [C@@H] ( [C@@H] ( C ) O 3 ) O [C@@H] 3 O [C@@H] ( C ) [C@@H] ( [C@] ( C 3 ) ( C ) O ) O ) O ) [C@@H] ( C ) [C@H] ( O ) C C ( O [C@@H] 2 C C ) = O ) = O ) [C@H] ( O C ) [C@@H] 1 O ) C | c 1 n c 2 n ( [C@@H] 3 O [C@@H] ( [C@H] ( [C@H] 3 O ) O ) C [S+] ( C ) C C [C@H] ( [NH3+] ) C ( = O ) [O-] ) c n c 2 c ( N ) n 1 . O 1 [C@H] ( C C ) [C@@H] ( C O [C@H] 2 [C@@H] ( [C@@H] ( [C@@H] ( [C@H] ( O 2 ) C ) O ) O ) O ) / C = C ( / C = C \ C ( = O ) [C@@H] ( C [C@H] ( C C = O ) [C@@H] ( [C@H] ( [C@H] ( O ) C C 1 = O ) C ) O [C@H] 1 [C@H] ( O ) [C@H] ( [C@@H] ( [C@H] ( O 1 ) C ) O [C@H] 1 C [C@@] ( O ) ( [C@H] ( [C@H] ( C ) O 1 ) O ) C ) [NH+] ( C ) C ) C ) C | MAVQKEATLVRQIIRAAGGHAADVRELVAEHGPEAVTAVLVDEIVSRAPHPVNDVPVLVELAVRSGDALVPRRLAVAQGAPVRRAAPDDDGFVAMRVEYELDELVRELFGPCRERAAGTRGTTLFPYATSGTGHIDTYFLAAQQATATVLAGCTSAKPDLNELTSRYLTPKWGSLHWFTPHYDRHFREYRNEEVRVLEIGIGGYQHPEWGGGSLRMWKHFFHRGLIYGLDIEDKSHAEEQRITTVVGDQNDPGCLTELAARYGPFDIVIDDGSHINEHVRTSFHALFPHVRPGGLYVIEDLWTAYWPGFGGDSDPGKSDLTSLGLVKSLVDSLQHQELPEDSGRSPGYADRHVVGLHVYHNLAFIEKGVNSEGGIPGWIPRDFDALVAASSGGAA | tensor([[ 1.5459e-01, 4.2101e-02, -2.5977e-02, -2.6742e-02, -5.1892e-02,
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O 1 [C@H] ( C [S+] ( C C [C@@H] ( C ( [O-] ) = O ) [NH3+] ) C ) [C@@H] ( O ) [C@H] ( [C@@H] 1 n 1 c 2 c ( c ( N ) n c n 2 ) n c 1 ) O . [C@@H] 1 ( C ) [C@@H] ( O [C@H] 2 [C@@H] ( [C@@H] ( [NH+] ( C ) C ) [C@@H] ( [C@@H] ( C ) O 2 ) O [C@H] 2 C [C@] ( C ) ( [C@@H] ( O ) [C@H] ( C ) O 2 ) O ) O ) [C@H] ( C [C@H] ( C ( / C = C \ C ( = C \ [C@@H] ( [C@@H] ( C C ) O C ( C [C@H] 1 O ) = O ) C O [C@@H] 1 O [C@@H] ( [C@@H] ( O ) [C@H] ( [C@H] 1 O ) O ) C ) C ) = O ) C ) C C = O | [H+] . n 1 c 2 c ( n c n 2 [C@H] 2 [C@H] ( O ) [C@@H] ( [C@@H] ( C S C C [C@H] ( [NH3+] ) C ( [O-] ) = O ) O 2 ) O ) c ( N ) n c 1 . [C@@H] 1 ( [C@H] ( O C ) [C@@H] ( [C@@H] ( [C@H] ( O 1 ) C ) O ) O ) O C [C@@H] 1 [C@H] ( O C ( = O ) C [C@@H] ( O ) [C@@H] ( [C@@H] ( O [C@@H] 2 O [C@@H] ( [C@@H] ( O [C@H] 3 C [C@] ( O ) ( C ) [C@@H] ( O ) [C@@H] ( O 3 ) C ) [C@@H] ( [C@H] 2 O ) [NH+] ( C ) C ) C ) [C@H] ( C [C@@H] ( C ) C ( = O ) / C = C / C ( C ) = C / 1 ) C C = O ) C ) C C | MAVQKEATLVRQIIRAAGGHAADVRELVAEHGPEAVTAVLVDEIVSRAPHPVNDVPVLVELAVRSGDALVPRRLAVAQGAPVRRAAPDDDGFVAMRVEYELDELVRELFGPCRERAAGTRGTTLFPYATSGTGHIDTYFLAAQQATATVLAGCTSAKPDLNELTSRYLTPKWGSLHWFTPHYDRHFREYRNEEVRVLEIGIGGYQHPEWGGGSLRMWKHFFHRGLIYGLDIEDKSHAEEQRITTVVGDQNDPGCLTELAARYGPFDIVIDDGSHINEHVRTSFHALFPHVRPGGLYVIEDLWTAYWPGFGGDSDPGKSDLTSLGLVKSLVDSLQHQELPEDSGRSPGYADRHVVGLHVYHNLAFIEKGVNSEGGIPGWIPRDFDALVAASSGGAA | tensor([[ 1.5459e-01, 4.2101e-02, -2.5977e-02, -2.6742e-02, -5.1892e-02,
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C O [C@@H] 1 [C@H] ( O ) [C@@H] ( [C@H] ( O [C@H] 1 O C [C@@H] 1 [C@H] ( O C ( C [C@H] ( [C@H] ( C ) [C@@H] ( O [C@H] 2 [C@@H] ( [C@@H] ( [NH+] ( C ) C ) [C@@H] ( [C@H] ( O 2 ) C ) O [C@@H] 2 O [C@@H] ( C ) [C@@H] ( [C@] ( C ) ( O ) C 2 ) O ) O ) [C@@H] ( C C = O ) C [C@H] ( C ( / C = C / C ( = C / 1 ) C ) = O ) C ) O ) = O ) C C ) C ) O . O [C@@H] 1 [C@H] ( O ) [C@@H] ( C S C C [C@@H] ( C ( [O-] ) = O ) [NH3+] ) O [C@H] 1 n 1 c n c 2 c 1 n c n c 2 N . [H+] | C 1 ( / C = C \ C ( C ) = C \ [C@@H] ( [C@H] ( O C ( C [C@@H] ( O ) [C@@H] ( [C@@H] ( O [C@@H] 2 O [C@H] ( C ) [C@@H] ( O [C@H] 3 C [C@] ( [C@H] ( [C@@H] ( O 3 ) C ) O ) ( O ) C ) [C@H] ( [NH+] ( C ) C ) [C@H] 2 O ) [C@@H] ( C C = O ) C [C@H] 1 C ) C ) = O ) C C ) C O [C@H] 1 [C@H] ( O ) [C@H] ( O ) [C@H] ( O ) [C@@H] ( C ) O 1 ) = O . [C@H] 1 ( O ) [C@@H] ( O [C@H] ( C [S+] ( C C [C@@H] ( C ( = O ) [O-] ) [NH3+] ) C ) [C@H] 1 O ) n 1 c 2 n c n c ( c 2 n c 1 ) N | MAVQKEATLVRQIIRAAGGHAADVRELVAEHGPEAVTAVLVDEIVSRAPHPVNDVPVLVELAVRSGDALVPRRLAVAQGAPVRRAAPDDDGFVAMRVEYELDELVRELFGPCRERAAGTRGTTLFPYATSGTGHIDTYFLAAQQATATVLAGCTSAKPDLNELTSRYLTPKWGSLHWFTPHYDRHFREYRNEEVRVLEIGIGGYQHPEWGGGSLRMWKHFFHRGLIYGLDIEDKSHAEEQRITTVVGDQNDPGCLTELAARYGPFDIVIDDGSHINEHVRTSFHALFPHVRPGGLYVIEDLWTAYWPGFGGDSDPGKSDLTSLGLVKSLVDSLQHQELPEDSGRSPGYADRHVVGLHVYHNLAFIEKGVNSEGGIPGWIPRDFDALVAASSGGAA | tensor([[ 1.5459e-01, 4.2101e-02, -2.5977e-02, -2.6742e-02, -5.1892e-02,
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C [C@@H] 1 [C@@H] ( O [C@@H] 2 O [C@H] ( [C@H] ( O ) [C@@] ( C ) ( C 2 ) O ) C ) [C@H] ( [NH+] ( C ) C ) [C@@H] ( O ) [C@H] ( O [C@H] 2 [C@@H] ( C C = O ) C [C@@H] ( C ) C ( / C = C \ C ( C ) = C \ [C@@H] ( [C@@H] ( C C ) O C ( C [C@@H] ( O ) [C@@H] 2 C ) = O ) C O [C@@H] 2 O [C@H] ( C ) [C@@H] ( O ) [C@@H] ( O ) [C@H] 2 O ) = O ) O 1 . C ( C [C@H] ( [NH3+] ) C ( = O ) [O-] ) [S+] ( C ) C [C@H] 1 O [C@H] ( [C@@H] ( [C@@H] 1 O ) O ) n 1 c 2 c ( c ( n c n 2 ) N ) n c 1 | O 1 [C@H] ( [C@H] ( O ) [C@@H] ( [NH+] ( C ) C ) [C@@H] ( [C@H] 1 C ) O [C@@H] 1 O [C@@H] ( C ) [C@@H] ( [C@@] ( C 1 ) ( O ) C ) O ) O [C@H] 1 [C@@H] ( C C = O ) C [C@H] ( C ( / C = C / C ( C ) = C / [C@@H] ( [C@@H] ( C C ) O C ( C [C@@H] ( O ) [C@@H] 1 C ) = O ) C O [C@H] 1 [C@H] ( O C ) [C@@H] ( [C@H] ( O ) [C@H] ( O 1 ) C ) O ) = O ) C . C ( [C@@H] ( [NH3+] ) C C S C [C@H] 1 O [C@@H] ( n 2 c 3 n c n c ( N ) c 3 n c 2 ) [C@@H] ( [C@@H] 1 O ) O ) ( = O ) [O-] . [H+] | MAVQKEATLVRQIIRAAGGHAADVRELVAEHGPEAVTAVLVDEIVSRAPHPVNDVPVLVELAVRSGDALVPRRLAVAQGAPVRRAAPDDDGFVAMRVEYELDELVRELFGPCRERAAGTRGTTLFPYATSGTGHIDTYFLAAQQATATVLAGCTSAKPDLNELTSRYLTPKWGSLHWFTPHYDRHFREYRNEEVRVLEIGIGGYQHPEWGGGSLRMWKHFFHRGLIYGLDIEDKSHAEEQRITTVVGDQNDPGCLTELAARYGPFDIVIDDGSHINEHVRTSFHALFPHVRPGGLYVIEDLWTAYWPGFGGDSDPGKSDLTSLGLVKSLVDSLQHQELPEDSGRSPGYADRHVVGLHVYHNLAFIEKGVNSEGGIPGWIPRDFDALVAASSGGAA | tensor([[ 1.5459e-01, 4.2101e-02, -2.5977e-02, -2.6742e-02, -5.1892e-02,
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[H+] . [C@H] 1 ( O [C@@H] ( C ) [C@@H] ( [C@] ( O ) ( C 1 ) C ) O ) O [C@H] 1 [C@@H] ( [C@@H] ( O ) [C@H] ( O [C@H] 2 [C@@H] ( C C = O ) C [C@H] ( C ( = O ) / C = C / C ( = C / [C@@H] ( [C@@H] ( C C ) O C ( C [C@H] ( [C@@H] 2 C ) O ) = O ) C O [C@H] 2 [C@H] ( O C ) [C@@H] ( [C@@H] ( [C@H] ( O 2 ) C ) O ) O ) C ) C ) O [C@@H] 1 C ) [NH+] ( C ) C . N c 1 c 2 n c n ( [C@@H] 3 O [C@H] ( C S C C [C@@H] ( C ( [O-] ) = O ) [NH3+] ) [C@@H] ( O ) [C@H] 3 O ) c 2 n c n 1 | [C@@H] 1 ( [C@@H] ( [C@H] ( [C@@H] ( O [C@@H] 1 C ) O [C@@H] 1 [C@H] ( [C@H] ( O ) C C ( = O ) O [C@H] ( C C ) [C@H] ( / C = C ( C ) / C = C \ C ( [C@@H] ( C [C@@H] 1 C C = O ) C ) = O ) C O [C@H] 1 [C@H] ( O ) [C@@H] ( [C@H] ( O ) [C@@H] ( C ) O 1 ) O ) C ) O ) [NH+] ( C ) C ) O [C@@H] 1 O [C@@H] ( C ) [C@H] ( O ) [C@@] ( C 1 ) ( O ) C . [S+] ( C [C@H] 1 O [C@@H] ( n 2 c 3 n c n c ( c 3 n c 2 ) N ) [C@H] ( O ) [C@@H] 1 O ) ( C C [C@H] ( [NH3+] ) C ( [O-] ) = O ) C | MAVQKEATLVRQIIRAAGGHAADVRELVAEHGPEAVTAVLVDEIVSRAPHPVNDVPVLVELAVRSGDALVPRRLAVAQGAPVRRAAPDDDGFVAMRVEYELDELVRELFGPCRERAAGTRGTTLFPYATSGTGHIDTYFLAAQQATATVLAGCTSAKPDLNELTSRYLTPKWGSLHWFTPHYDRHFREYRNEEVRVLEIGIGGYQHPEWGGGSLRMWKHFFHRGLIYGLDIEDKSHAEEQRITTVVGDQNDPGCLTELAARYGPFDIVIDDGSHINEHVRTSFHALFPHVRPGGLYVIEDLWTAYWPGFGGDSDPGKSDLTSLGLVKSLVDSLQHQELPEDSGRSPGYADRHVVGLHVYHNLAFIEKGVNSEGGIPGWIPRDFDALVAASSGGAA | tensor([[ 1.5459e-01, 4.2101e-02, -2.5977e-02, -2.6742e-02, -5.1892e-02,
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O 1 [C@@H] ( C ) [C@H] ( O ) [C@] ( C ) ( O ) C [C@@H] 1 O [C@H] 1 [C@@H] ( [C@@H] ( O ) [C@@H] ( O [C@@H] 1 C ) O [C@@H] 1 [C@H] ( [C@@H] ( C C ( O [C@@H] ( [C@H] ( / C = C ( / C = C \ C ( = O ) [C@@H] ( C [C@@H] 1 C C = O ) C ) C ) C O [C@@H] 1 O [C@@H] ( [C@@H] ( O ) [C@@H] ( O ) [C@H] 1 O ) C ) C C ) = O ) O ) C ) [NH+] ( C ) C . n 1 ( [C@@H] 2 O [C@H] ( C [S+] ( C ) C C [C@H] ( [NH3+] ) C ( [O-] ) = O ) [C@@H] ( O ) [C@H] 2 O ) c n c 2 c ( N ) n c n c 2 1 | [H+] . [C@@H] 1 ( O [C@@H] ( O [C@@H] 2 [C@H] ( [C@H] ( O ) C C ( = O ) O [C@@H] ( [C@H] ( / C = C ( C ) / C = C / C ( = O ) [C@@H] ( C [C@@H] 2 C C = O ) C ) C O [C@@H] 2 O [C@@H] ( [C@@H] ( O ) [C@H] ( [C@H] 2 O C ) O ) C ) C C ) C ) [C@H] ( O ) [C@H] ( [C@@H] 1 O [C@H] 1 C [C@] ( O ) ( C ) [C@@H] ( O ) [C@H] ( C ) O 1 ) [NH+] ( C ) C ) C . C ( [C@@H] ( [NH3+] ) C C S C [C@H] 1 O [C@@H] ( n 2 c n c 3 c ( N ) n c n c 3 2 ) [C@H] ( O ) [C@@H] 1 O ) ( [O-] ) = O | MAVQKEATLVRQIIRAAGGHAADVRELVAEHGPEAVTAVLVDEIVSRAPHPVNDVPVLVELAVRSGDALVPRRLAVAQGAPVRRAAPDDDGFVAMRVEYELDELVRELFGPCRERAAGTRGTTLFPYATSGTGHIDTYFLAAQQATATVLAGCTSAKPDLNELTSRYLTPKWGSLHWFTPHYDRHFREYRNEEVRVLEIGIGGYQHPEWGGGSLRMWKHFFHRGLIYGLDIEDKSHAEEQRITTVVGDQNDPGCLTELAARYGPFDIVIDDGSHINEHVRTSFHALFPHVRPGGLYVIEDLWTAYWPGFGGDSDPGKSDLTSLGLVKSLVDSLQHQELPEDSGRSPGYADRHVVGLHVYHNLAFIEKGVNSEGGIPGWIPRDFDALVAASSGGAA | tensor([[ 1.5459e-01, 4.2101e-02, -2.5977e-02, -2.6742e-02, -5.1892e-02,
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C ( [C@@H] 1 [C@@H] ( O ) [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c n c 2 c 1 n c n c 2 N ) S C C [C@@H] ( C ( [O-] ) = O ) [NH3+] . [H+] . C 1 = C / C ( = C / [C@@H] ( [C@H] ( O C ( C [C@@H] ( O ) [C@@H] ( [C@H] ( [C@@H] ( C C = O ) C [C@H] ( C / 1 = O ) C ) O [C@@H] 1 O [C@H] ( C ) [C@@H] ( O [C@@H] 2 O [C@@H] ( C ) [C@@H] ( [C@@] ( C 2 ) ( O ) C ) O ) [C@@H] ( [C@H] 1 O ) [NH+] ( C ) C ) C ) = O ) C C ) C O [C@@H] 1 O [C@H] ( C ) [C@@H] ( O ) [C@@H] ( O ) [C@H] 1 O C ) C | O [C@@H] 1 [C@@H] ( [C@@H] ( C [S+] ( C ) C C [C@@H] ( C ( [O-] ) = O ) [NH3+] ) O [C@H] 1 n 1 c n c 2 c ( N ) n c n c 2 1 ) O . [C@H] 1 ( C ) C ( / C = C \ C ( C ) = C \ [C@@H] ( [C@@H] ( C C ) O C ( = O ) C [C@@H] ( O ) [C@H] ( C ) [C@H] ( [C@@H] ( C C = O ) C 1 ) O [C@H] 1 [C@H] ( O ) [C@@H] ( [NH+] ( C ) C ) [C@H] ( O [C@@H] 2 O [C@@H] ( C ) [C@@H] ( [C@] ( C ) ( O ) C 2 ) O ) [C@@H] ( C ) O 1 ) C O [C@H] 1 [C@H] ( O ) [C@H] ( O ) [C@@H] ( [C@@H] ( C ) O 1 ) O ) = O | MAVQKEATLVRQIIRAAGGHAADVRELVAEHGPEAVTAVLVDEIVSRAPHPVNDVPVLVELAVRSGDALVPRRLAVAQGAPVRRAAPDDDGFVAMRVEYELDELVRELFGPCRERAAGTRGTTLFPYATSGTGHIDTYFLAAQQATATVLAGCTSAKPDLNELTSRYLTPKWGSLHWFTPHYDRHFREYRNEEVRVLEIGIGGYQHPEWGGGSLRMWKHFFHRGLIYGLDIEDKSHAEEQRITTVVGDQNDPGCLTELAARYGPFDIVIDDGSHINEHVRTSFHALFPHVRPGGLYVIEDLWTAYWPGFGGDSDPGKSDLTSLGLVKSLVDSLQHQELPEDSGRSPGYADRHVVGLHVYHNLAFIEKGVNSEGGIPGWIPRDFDALVAASSGGAA | tensor([[ 1.5459e-01, 4.2101e-02, -2.5977e-02, -2.6742e-02, -5.1892e-02,
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C ( C [S+] ( C [C@@H] 1 [C@H] ( [C@H] ( [C@@H] ( O 1 ) n 1 c n c 2 c 1 n c n c 2 N ) O ) O ) C ) [C@H] ( [NH3+] ) C ( [O-] ) = O . C ( [C@H] 1 O C ( C [C@H] ( [C@H] ( C ) [C@H] ( [C@H] ( C [C@@H] ( C ) C ( = O ) / C = C \ C ( C ) = C \ [C@@H] 1 C O [C@@H] 1 O [C@@H] ( [C@@H] ( O ) [C@@H] ( O ) [C@H] 1 O ) C ) C C = O ) O [C@@H] 1 O [C@@H] ( [C@H] ( [C@H] ( [NH+] ( C ) C ) [C@H] 1 O ) O [C@@H] 1 O [C@H] ( [C@H] ( O ) [C@] ( C ) ( O ) C 1 ) C ) C ) O ) = O ) C | [NH3+] [C@H] ( C ( = O ) [O-] ) C C S C [C@@H] 1 [C@@H] ( O ) [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c 2 n c n c ( N ) c 2 n c 1 . [H+] . C 1 ( = O ) [C@@H] ( C [C@@H] ( [C@H] ( O [C@@H] 2 O [C@@H] ( [C@@H] ( O [C@H] 3 C [C@] ( O ) ( C ) [C@@H] ( O ) [C@@H] ( O 3 ) C ) [C@@H] ( [C@H] 2 O ) [NH+] ( C ) C ) C ) [C@@H] ( C ) [C@@H] ( C C ( O [C@@H] ( [C@@H] ( C O [C@H] 2 [C@@H] ( [C@H] ( O ) [C@@H] ( [C@H] ( O 2 ) C ) O ) O C ) / C = C ( C ) / C = C / 1 ) C C ) = O ) O ) C C = O ) C | MAVQKEATLVRQIIRAAGGHAADVRELVAEHGPEAVTAVLVDEIVSRAPHPVNDVPVLVELAVRSGDALVPRRLAVAQGAPVRRAAPDDDGFVAMRVEYELDELVRELFGPCRERAAGTRGTTLFPYATSGTGHIDTYFLAAQQATATVLAGCTSAKPDLNELTSRYLTPKWGSLHWFTPHYDRHFREYRNEEVRVLEIGIGGYQHPEWGGGSLRMWKHFFHRGLIYGLDIEDKSHAEEQRITTVVGDQNDPGCLTELAARYGPFDIVIDDGSHINEHVRTSFHALFPHVRPGGLYVIEDLWTAYWPGFGGDSDPGKSDLTSLGLVKSLVDSLQHQELPEDSGRSPGYADRHVVGLHVYHNLAFIEKGVNSEGGIPGWIPRDFDALVAASSGGAA | tensor([[ 1.5459e-01, 4.2101e-02, -2.5977e-02, -2.6742e-02, -5.1892e-02,
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C ( [C@@H] ( [NH3+] ) C C S C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@@H] ( O 1 ) n 1 c 2 c ( c ( N ) n c n 2 ) n c 1 ) O ) ( = O ) [O-] . [H+] . O ( [C@H] 1 [C@H] ( O ) [C@H] ( [C@H] ( O [C@@H] 2 O [C@H] ( [C@@H] ( [C@] ( C 2 ) ( C ) O ) O ) C ) [C@H] ( O 1 ) C ) [NH+] ( C ) C ) [C@@H] 1 [C@H] ( [C@@H] ( C C ( = O ) O [C@H] ( C C ) [C@@H] ( C O [C@H] 2 [C@@H] ( [C@H] ( O ) [C@H] ( O ) [C@@H] ( C ) O 2 ) O C ) / C = C ( C ) / C = C / C ( = O ) [C@@H] ( C [C@@H] 1 C C = O ) C ) O ) C | C [C@H] 1 [C@@H] ( C C ( O [C@@H] ( [C@H] ( / C = C ( / C = C \ C ( = O ) [C@H] ( C ) C [C@@H] ( [C@@H] 1 O [C@H] 1 [C@@H] ( [C@H] ( [C@H] ( O [C@@H] 2 O [C@@H] ( C ) [C@H] ( O ) [C@@] ( C 2 ) ( O ) C ) [C@@H] ( C ) O 1 ) [NH+] ( C ) C ) O ) C C = O ) C ) C O [C@H] 1 [C@H] ( O ) [C@H] ( O ) [C@H] ( O ) [C@H] ( O 1 ) C ) C C ) = O ) O . O [C@H] 1 [C@H] ( [C@H] ( n 2 c n c 3 c 2 n c n c 3 N ) O [C@@H] 1 C [S+] ( C ) C C [C@H] ( [NH3+] ) C ( = O ) [O-] ) O | MAVQKEATLVRQIIRAAGGHAADVRELVAEHGPEAVTAVLVDEIVSRAPHPVNDVPVLVELAVRSGDALVPRRLAVAQGAPVRRAAPDDDGFVAMRVEYELDELVRELFGPCRERAAGTRGTTLFPYATSGTGHIDTYFLAAQQATATVLAGCTSAKPDLNELTSRYLTPKWGSLHWFTPHYDRHFREYRNEEVRVLEIGIGGYQHPEWGGGSLRMWKHFFHRGLIYGLDIEDKSHAEEQRITTVVGDQNDPGCLTELAARYGPFDIVIDDGSHINEHVRTSFHALFPHVRPGGLYVIEDLWTAYWPGFGGDSDPGKSDLTSLGLVKSLVDSLQHQELPEDSGRSPGYADRHVVGLHVYHNLAFIEKGVNSEGGIPGWIPRDFDALVAASSGGAA | tensor([[ 1.5459e-01, 4.2101e-02, -2.5977e-02, -2.6742e-02, -5.1892e-02,
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[C@@H] 1 ( O ) [C@H] ( O ) [C@@H] ( C O P ( [O-] ) ( O P ( [O-] ) ( = O ) O C [C@@H] 2 [C@H] ( [C@H] ( [C@@H] ( O 2 ) n 2 c 3 n c n c ( c 3 n c 2 ) N ) O ) O ) = O ) O [C@H] 1 [n+] 1 c c c c ( C ( N ) = O ) c 1 . C 1 C [C@H] ( [C@@H] ( C C C ( = O ) [O-] ) C ) [C@] 2 ( C ) [C@@H] 1 [C@H] 1 [C@H] ( C C 2 ) [C@@] 2 ( [C@@H] ( C [C@@H] ( O ) C C 2 ) C [C@@H] 1 O ) C | [C@H] 1 ( [C@@H] ( C C C ( [O-] ) = O ) C ) C C [C@H] 2 [C@@H] 3 C ( = O ) C [C@H] 4 [C@] ( C C [C@@H] ( C 4 ) O ) ( [C@H] 3 C C [C@] 1 2 C ) C . [H+] . C 1 N ( [C@@H] 2 O [C@H] ( C O P ( O P ( [O-] ) ( = O ) O C [C@@H] 3 [C@@H] ( O ) [C@H] ( [C@@H] ( O 3 ) n 3 c 4 c ( c ( n c n 4 ) N ) n c 3 ) O ) ( = O ) [O-] ) [C@@H] ( O ) [C@H] 2 O ) C = C ( C C = 1 ) C ( = O ) N | MIKNAVSLVTGGASGLGRATAERLAKQGASVILADLPSSKGNEVAKELGDKVVFVPVDVTSEKDVSAALQTAKDKFGRLDLTVNCAGTATAVKTFNFNKNVAHRLEDFQRVININTVGTFNVIRLSAGLMGANEPNQDGQRGVIVNTASVAAFDGQIGQAAYSASKAAVVGMTLPIARDLSTQGIRICTIAPGLFNTPMLAALPEKVRTFLAKSIPFPQRLGEPSEYAHLVQAIYENPLLNGEVIRIDGALRMMP | tensor([[-3.7557e-02, -1.0065e-01, 9.0669e-02, 9.4517e-02, -3.9340e-02,
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n 1 c n c 2 n ( c n c 2 c 1 N ) [C@H] 1 [C@@H] ( [C@@H] ( [C@@H] ( C O P ( O P ( = O ) ( [O-] ) O C [C@H] 2 O [C@H] ( [C@H] ( O ) [C@@H] 2 O ) N 2 C = C ( C ( = O ) N ) C C = C 2 ) ( [O-] ) = O ) O 1 ) O ) O . [C@@H] 1 2 [C@H] 3 [C@H] ( C C [C@] 2 ( C ) [C@H] ( C C 1 ) [C@@H] ( C C C ( [O-] ) = O ) C ) [C@@] 1 ( [C@@H] ( C [C@@H] ( O ) C C 1 ) C C 3 = O ) C . [H+] | O [C@@H] 1 [C@H] 2 [C@@H] 3 C C [C@@H] ( [C@] 3 ( C C [C@@H] 2 [C@] 2 ( C ) [C@H] ( C 1 ) C [C@@H] ( O ) C C 2 ) C ) [C@@H] ( C C C ( = O ) [O-] ) C . C ( N ) ( = O ) c 1 c [n+] ( c c c 1 ) [C@@H] 1 O [C@@H] ( [C@@H] ( O ) [C@H] 1 O ) C O P ( O P ( O C [C@H] 1 O [C@H] ( [C@H] ( O ) [C@@H] 1 O ) n 1 c n c 2 c ( n c n c 2 1 ) N ) ( [O-] ) = O ) ( = O ) [O-] | MIKNAVSLVTGGASGLGRATAERLAKQGASVILADLPSSKGNEVAKELGDKVVFVPVDVTSEKDVSAALQTAKDKFGRLDLTVNCAGTATAVKTFNFNKNVAHRLEDFQRVININTVGTFNVIRLSAGLMGANEPNQDGQRGVIVNTASVAAFDGQIGQAAYSASKAAVVGMTLPIARDLSTQGIRICTIAPGLFNTPMLAALPEKVRTFLAKSIPFPQRLGEPSEYAHLVQAIYENPLLNGEVIRIDGALRMMP | tensor([[-3.7557e-02, -1.0065e-01, 9.0669e-02, 9.4517e-02, -3.9340e-02,
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[C@@H] 1 2 [C@@] 3 ( C ) C C [C@H] ( O ) C [C@H] 3 C [C@H] ( O ) [C@H] 1 [C@H] 1 [C@] ( C C 2 ) ( [C@@H] ( [C@H] ( C ) C C C ( = O ) [O-] ) C C 1 ) C . O = P ( O C [C@@H] 1 [C@H] ( [C@H] ( [C@H] ( [n+] 2 c c ( c c c 2 ) C ( = O ) N ) O 1 ) O ) O ) ( O P ( O C [C@@H] 1 [C@H] ( [C@H] ( [C@H] ( n 2 c 3 c ( c ( n c n 3 ) N ) n c 2 ) O 1 ) O ) O ) ( [O-] ) = O ) [O-] | O 1 [C@@H] ( n 2 c n c 3 c 2 n c n c 3 N ) [C@H] ( O ) [C@H] ( O ) [C@H] 1 C O P ( = O ) ( [O-] ) O P ( [O-] ) ( O C [C@@H] 1 [C@@H] ( O ) [C@@H] ( O ) [C@H] ( N 2 C = C C C ( C ( = O ) N ) = C 2 ) O 1 ) = O . C [C@@] 1 2 C C [C@H] ( O ) C [C@H] 2 C C ( [C@@H] 2 [C@@H] 1 C C [C@@] 1 ( [C@H] ( C C [C@H] 1 2 ) [C@@H] ( C C C ( = O ) [O-] ) C ) C ) = O . [H+] | MIKNAVSLVTGGASGLGRATAERLAKQGASVILADLPSSKGNEVAKELGDKVVFVPVDVTSEKDVSAALQTAKDKFGRLDLTVNCAGTATAVKTFNFNKNVAHRLEDFQRVININTVGTFNVIRLSAGLMGANEPNQDGQRGVIVNTASVAAFDGQIGQAAYSASKAAVVGMTLPIARDLSTQGIRICTIAPGLFNTPMLAALPEKVRTFLAKSIPFPQRLGEPSEYAHLVQAIYENPLLNGEVIRIDGALRMMP | tensor([[-3.7557e-02, -1.0065e-01, 9.0669e-02, 9.4517e-02, -3.9340e-02,
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O [C@H] 1 [C@H] ( [C@H] ( N 2 C = C ( C C = C 2 ) C ( N ) = O ) O [C@@H] 1 C O P ( = O ) ( [O-] ) O P ( [O-] ) ( O C [C@@H] 1 [C@H] ( [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c n c 2 c ( n c n c 2 1 ) N ) O ) = O ) O . [H+] . C 1 [C@@H] 2 C [C@@H] ( O ) C C [C@] 2 ( C ) [C@@H] 2 [C@H] ( [C@@H] 3 C C [C@@H] ( [C@] 3 ( C C 2 ) C ) [C@H] ( C ) C C C ( = O ) [O-] ) C 1 = O | C 1 C [C@H] ( [C@H] ( C ) C C C ( = O ) [O-] ) [C@@] 2 ( [C@@H] 1 [C@@H] 1 [C@H] ( C [C@H] 3 [C@@] ( [C@H] 1 C C 2 ) ( C C [C@H] ( O ) C 3 ) C ) O ) C . [C@H] 1 ( [C@@H] ( C O P ( [O-] ) ( O P ( = O ) ( [O-] ) O C [C@@H] 2 [C@@H] ( O ) [C@H] ( [C@@H] ( O 2 ) n 2 c n c 3 c 2 n c n c 3 N ) O ) = O ) O [C@@H] ( [n+] 2 c c c c ( C ( = O ) N ) c 2 ) [C@@H] 1 O ) O | MIKNAVSLVTGGASGLGRATAERLAKQGASVILADLPSSKGNEVAKELGDKVVFVPVDVTSEKDVSAALQTAKDKFGRLDLTVNCAGTATAVKTFNFNKNVAHRLEDFQRVININTVGTFNVIRLSAGLMGANEPNQDGQRGVIVNTASVAAFDGQIGQAAYSASKAAVVGMTLPIARDLSTQGIRICTIAPGLFNTPMLAALPEKVRTFLAKSIPFPQRLGEPSEYAHLVQAIYENPLLNGEVIRIDGALRMMP | tensor([[-3.7557e-02, -1.0065e-01, 9.0669e-02, 9.4517e-02, -3.9340e-02,
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O [C@@H] 1 [C@@H] 2 [C@H] ( C C [C@@] 3 ( C ) [C@H] 2 C C [C@@H] 3 [C@@H] ( C C C ( = O ) [O-] ) C ) [C@] 2 ( C ) [C@H] ( C 1 ) C [C@@H] ( O ) C C 2 . P ( [O-] ) ( = O ) ( O C [C@H] 1 O [C@@H] ( n 2 c 3 c ( n c 2 ) c ( n c n 3 ) N ) [C@H] ( O ) [C@@H] 1 O ) O P ( [O-] ) ( O C [C@@H] 1 [C@H] ( [C@H] ( [C@H] ( [n+] 2 c c c c ( c 2 ) C ( = O ) N ) O 1 ) O ) O ) = O | C ( [C@H] 1 O [C@H] ( [C@H] ( O ) [C@@H] 1 O ) N 1 C = C ( C C = C 1 ) C ( N ) = O ) O P ( = O ) ( O P ( = O ) ( [O-] ) O C [C@H] 1 O [C@H] ( [C@@H] ( [C@@H] 1 O ) O ) n 1 c n c 2 c ( N ) n c n c 1 2 ) [O-] . [H+] . [C@] 1 2 ( C ) C C [C@@H] 3 [C@@] 4 ( C ) C C [C@@H] ( C [C@H] 4 C C ( = O ) [C@H] 3 [C@@H] 1 C C [C@@H] 2 [C@@H] ( C C C ( = O ) [O-] ) C ) O | MAAACRSVKGLVALITGGASGLGLATAERLVGQGATAVLLDLPNSDGETQAKKLGKSCAFAPADVTSEKDVQAALTLAREKFGRVDVAVNCAGIAVASKTYNLKKSQAHTLEDFQRVINVNLIGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPMGIRVMTIAPGLFGTPLLTTLPDKVRNFLASQVPFPSRLGDPAEYAHLVQAIIENSFLNGEVIRLDGAIRMQP | tensor([[-5.4291e-02, -1.2376e-01, 6.5644e-02, 1.0286e-01, -7.3686e-02,
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[H+] . [C@@H] ( C C C ( = O ) [O-] ) ( [C@H] 1 C C [C@@H] 2 [C@] 1 ( C ) C C [C@@H] 1 [C@] 3 ( C C [C@@H] ( C [C@H] 3 C C ( [C@H] 1 2 ) = O ) O ) C ) C . N c 1 n c n c 2 c 1 n c n 2 [C@H] 1 [C@@H] ( [C@@H] ( [C@@H] ( C O P ( O P ( O C [C@@H] 2 [C@H] ( [C@@H] ( O ) [C@@H] ( O 2 ) N 2 C = C ( C ( N ) = O ) C C = C 2 ) O ) ( = O ) [O-] ) ( = O ) [O-] ) O 1 ) O ) O | n 1 c 2 c ( n ( [C@H] 3 [C@@H] ( [C@H] ( O ) [C@H] ( O 3 ) C O P ( = O ) ( O P ( = O ) ( O C [C@@H] 3 [C@@H] ( O ) [C@@H] ( O ) [C@H] ( [n+] 4 c c ( C ( N ) = O ) c c c 4 ) O 3 ) [O-] ) [O-] ) O ) c 1 ) n c n c 2 N . C 1 [C@H] ( [C@@H] ( C C C ( [O-] ) = O ) C ) [C@] 2 ( C C [C@@H] 3 [C@] 4 ( C ) [C@H] ( C [C@@H] ( [C@H] 3 [C@@H] 2 C 1 ) O ) C [C@@H] ( O ) C C 4 ) C | MAAACRSVKGLVALITGGASGLGLATAERLVGQGATAVLLDLPNSDGETQAKKLGKSCAFAPADVTSEKDVQAALTLAREKFGRVDVAVNCAGIAVASKTYNLKKSQAHTLEDFQRVINVNLIGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPMGIRVMTIAPGLFGTPLLTTLPDKVRNFLASQVPFPSRLGDPAEYAHLVQAIIENSFLNGEVIRLDGAIRMQP | tensor([[-5.4291e-02, -1.2376e-01, 6.5644e-02, 1.0286e-01, -7.3686e-02,
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P ( O C [C@H] 1 O [C@H] ( [C@H] ( O ) [C@@H] 1 O ) [n+] 1 c c ( c c c 1 ) C ( N ) = O ) ( O P ( = O ) ( O C [C@@H] 1 [C@@H] ( O ) [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c 2 n c n c ( N ) c 2 n c 1 ) [O-] ) ( = O ) [O-] . [C@] 1 2 ( C ) [C@H] ( C [C@@H] ( [C@H] 3 [C@@H] 4 C C [C@@H] ( [C@@] 4 ( C ) C C [C@@H] 3 1 ) [C@H] ( C ) C C C ( = O ) [O-] ) O ) C [C@H] ( C C 2 ) O | [H+] . C 1 C [C@@] 2 ( [C@@H] ( [C@H] ( C ) C C C ( [O-] ) = O ) C C [C@H] 2 [C@H] 2 [C@H] 1 [C@] 1 ( C ) [C@H] ( C C 2 = O ) C [C@@H] ( O ) C C 1 ) C . O 1 [C@@H] ( n 2 c 3 c ( n c 2 ) c ( n c n 3 ) N ) [C@@H] ( [C@H] ( O ) [C@H] 1 C O P ( = O ) ( [O-] ) O P ( [O-] ) ( O C [C@@H] 1 [C@H] ( [C@H] ( [C@@H] ( O 1 ) N 1 C = C ( C C = C 1 ) C ( N ) = O ) O ) O ) = O ) O | MAAACRSVKGLVALITGGASGLGLATAERLVGQGATAVLLDLPNSDGETQAKKLGKSCAFAPADVTSEKDVQAALTLAREKFGRVDVAVNCAGIAVASKTYNLKKSQAHTLEDFQRVINVNLIGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPMGIRVMTIAPGLFGTPLLTTLPDKVRNFLASQVPFPSRLGDPAEYAHLVQAIIENSFLNGEVIRLDGAIRMQP | tensor([[-5.4291e-02, -1.2376e-01, 6.5644e-02, 1.0286e-01, -7.3686e-02,
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O = C ( C C [C@H] ( [C@H] 1 C C [C@@H] 2 [C@@] 1 ( C C [C@H] 1 [C@H] 2 C ( = O ) C [C@@H] 2 C [C@@H] ( O ) C C [C@@] 2 1 C ) C ) C ) [O-] . [H+] . O = P ( [O-] ) ( O P ( = O ) ( O C [C@H] 1 O [C@H] ( [C@@H] ( [C@@H] 1 O ) O ) n 1 c 2 n c n c ( N ) c 2 n c 1 ) [O-] ) O C [C@H] 1 O [C@H] ( [C@H] ( O ) [C@@H] 1 O ) N 1 C = C C C ( C ( = O ) N ) = C 1 | C 1 [C@H] ( O ) [C@@H] 2 [C@H] ( C C [C@@] 3 ( C ) [C@H] 2 C C [C@@H] 3 [C@@H] ( C C C ( [O-] ) = O ) C ) [C@] 2 ( C C [C@@H] ( C [C@@H] 1 2 ) O ) C . [C@@H] 1 ( [C@H] ( O ) [C@@H] ( [C@@H] ( C O P ( [O-] ) ( = O ) O P ( = O ) ( [O-] ) O C [C@H] 2 O [C@@H] ( n 3 c 4 c ( n c 3 ) c ( n c n 4 ) N ) [C@@H] ( [C@@H] 2 O ) O ) O 1 ) O ) [n+] 1 c c ( C ( N ) = O ) c c c 1 | MAAACRSVKGLVALITGGASGLGLATAERLVGQGATAVLLDLPNSDGETQAKKLGKSCAFAPADVTSEKDVQAALTLAREKFGRVDVAVNCAGIAVASKTYNLKKSQAHTLEDFQRVINVNLIGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPMGIRVMTIAPGLFGTPLLTTLPDKVRNFLASQVPFPSRLGDPAEYAHLVQAIIENSFLNGEVIRLDGAIRMQP | tensor([[-5.4291e-02, -1.2376e-01, 6.5644e-02, 1.0286e-01, -7.3686e-02,
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[C@H] 1 2 C C [C@H] ( [C@@H] ( C C C ( = O ) [O-] ) C ) [C@] 2 ( C C [C@H] 2 [C@H] 1 [C@@H] ( O ) C [C@H] 1 [C@] 2 ( C ) C C [C@H] ( O ) C 1 ) C . O 1 [C@@H] ( n 2 c n c 3 c ( n c n c 3 2 ) N ) [C@H] ( O ) [C@@H] ( [C@H] 1 C O P ( = O ) ( [O-] ) O P ( = O ) ( [O-] ) O C [C@@H] 1 [C@H] ( [C@H] ( [C@H] ( [n+] 2 c c ( c c c 2 ) C ( = O ) N ) O 1 ) O ) O ) O | n 1 ( [C@@H] 2 O [C@@H] ( [C@@H] ( O ) [C@H] 2 O ) C O P ( [O-] ) ( O P ( O C [C@H] 2 O [C@@H] ( N 3 C = C C C ( = C 3 ) C ( N ) = O ) [C@@H] ( [C@@H] 2 O ) O ) ( [O-] ) = O ) = O ) c n c 2 c ( N ) n c n c 2 1 . [H+] . [O-] C ( C C [C@@H] ( C ) [C@H] 1 C C [C@@H] 2 [C@] 1 ( C ) C C [C@@H] 1 [C@] 3 ( C ) [C@H] ( C C ( = O ) [C@H] 1 2 ) C [C@@H] ( O ) C C 3 ) = O | MAAACRSVKGLVALITGGASGLGLATAERLVGQGATAVLLDLPNSDGETQAKKLGKSCAFAPADVTSEKDVQAALTLAREKFGRVDVAVNCAGIAVASKTYNLKKSQAHTLEDFQRVINVNLIGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPMGIRVMTIAPGLFGTPLLTTLPDKVRNFLASQVPFPSRLGDPAEYAHLVQAIIENSFLNGEVIRLDGAIRMQP | tensor([[-5.4291e-02, -1.2376e-01, 6.5644e-02, 1.0286e-01, -7.3686e-02,
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O [C@H] 1 C [C@@H] 2 C [C@@H] ( O ) C C [C@@] 2 ( [C@H] 2 C C [C@] 3 ( [C@@H] ( C C [C@@H] 3 [C@H] ( C ) C C C ( [O-] ) = O ) [C@H] 1 2 ) C ) C . c 1 n c 2 c ( n 1 [C@@H] 1 O [C@@H] ( [C@H] ( [C@H] 1 O ) O ) C O P ( O P ( = O ) ( [O-] ) O C [C@H] 1 O [C@@H] ( [n+] 3 c c c c ( C ( N ) = O ) c 3 ) [C@H] ( O ) [C@@H] 1 O ) ( [O-] ) = O ) n c n c 2 N | [H+] . P ( = O ) ( [O-] ) ( O C [C@@H] 1 [C@H] ( [C@@H] ( O ) [C@H] ( n 2 c n c 3 c 2 n c n c 3 N ) O 1 ) O ) O P ( [O-] ) ( = O ) O C [C@H] 1 O [C@@H] ( N 2 C = C C C ( C ( = O ) N ) = C 2 ) [C@H] ( O ) [C@@H] 1 O . C 1 [C@@] 2 ( C ) [C@H] ( [C@H] 3 [C@H] ( C 1 ) [C@@] 1 ( [C@@H] ( C [C@H] ( C C 1 ) O ) C C 3 = O ) C ) C C [C@@H] 2 [C@@H] ( C C C ( [O-] ) = O ) C | MIKNAVSLVTGGASGLGRATAERLAKQGASVILADLPSSKGNEVAKELGDKVVFVPVDVTSEKDVSAALQTAKDKFGRLDLTVNCAGTATAVKTFNFNKNVAHRLEDFQRVININTVGTFNVIRLSAGLMGANEPNQDGQRGVIVNTASVAAFDGQIGQAAYSASKAAVVGMTLPIARDLSTQGIRICTIAPGLFNTPMLAALPEKVRTFLAKSIPFPQRLGEPSEYAHLVQAIYENPLLNGEVIRIDGALRMMP | tensor([[-3.7557e-02, -1.0065e-01, 9.0669e-02, 9.4517e-02, -3.9340e-02,
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[H+] . O 1 [C@H] ( C O P ( [O-] ) ( O P ( [O-] ) ( O C [C@H] 2 O [C@@H] ( n 3 c n c 4 c 3 n c n c 4 N ) [C@H] ( O ) [C@@H] 2 O ) = O ) = O ) [C@H] ( [C@H] ( [C@@H] 1 N 1 C = C ( C C = C 1 ) C ( N ) = O ) O ) O . C ( [O-] ) ( = O ) C C [C@@H] ( C ) [C@H] 1 C C [C@@H] 2 [C@@] 1 ( C C [C@H] 1 [C@H] 2 C ( C [C@@H] 2 C [C@@H] ( O ) C C [C@] 1 2 C ) = O ) C | O [C@@H] 1 C [C@@H] 2 [C@@] ( C C 1 ) ( C ) [C@H] 1 C C [C@@] 3 ( [C@H] ( C C [C@H] 3 [C@@H] 1 [C@@H] ( O ) C 2 ) [C@H] ( C ) C C C ( [O-] ) = O ) C . c 1 c ( c c c [n+] 1 [C@H] 1 [C@H] ( O ) [C@@H] ( [C@H] ( O 1 ) C O P ( = O ) ( [O-] ) O P ( O C [C@H] 1 O [C@@H] ( n 2 c n c 3 c ( N ) n c n c 3 2 ) [C@@H] ( [C@@H] 1 O ) O ) ( [O-] ) = O ) O ) C ( N ) = O | MIKNAVSLVTGGASGLGRATAERLAKQGASVILADLPSSKGNEVAKELGDKVVFVPVDVTSEKDVSAALQTAKDKFGRLDLTVNCAGTATAVKTFNFNKNVAHRLEDFQRVININTVGTFNVIRLSAGLMGANEPNQDGQRGVIVNTASVAAFDGQIGQAAYSASKAAVVGMTLPIARDLSTQGIRICTIAPGLFNTPMLAALPEKVRTFLAKSIPFPQRLGEPSEYAHLVQAIYENPLLNGEVIRIDGALRMMP | tensor([[-3.7557e-02, -1.0065e-01, 9.0669e-02, 9.4517e-02, -3.9340e-02,
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[C@H] 1 2 [C@@H] ( [C@] 3 ( C C [C@@H] ( C [C@H] 3 C [C@@H] 1 O ) O ) C ) C C [C@] 1 ( [C@H] 2 C C [C@@H] 1 [C@@H] ( C C C ( [O-] ) = O ) C ) C . c 1 n ( c 2 c ( c ( n c n 2 ) N ) n 1 ) [C@@H] 1 O [C@@H] ( [C@@H] ( O ) [C@H] 1 O ) C O P ( = O ) ( [O-] ) O P ( O C [C@@H] 1 [C@H] ( [C@@H] ( O ) [C@H] ( [n+] 2 c c c c ( c 2 ) C ( = O ) N ) O 1 ) O ) ( [O-] ) = O | [H+] . N 1 ( C = C ( C ( = O ) N ) C C = C 1 ) [C@H] 1 [C@@H] ( [C@@H] ( [C@H] ( O 1 ) C O P ( [O-] ) ( O P ( [O-] ) ( O C [C@@H] 1 [C@H] ( [C@H] ( [C@@H] ( O 1 ) n 1 c 2 c ( n c 1 ) c ( n c n 2 ) N ) O ) O ) = O ) = O ) O ) O . O [C@H] 1 C C [C@@] 2 ( C ) [C@@H] ( C 1 ) C C ( [C@@H] 1 [C@@H] 2 C C [C@] 2 ( [C@H] 1 C C [C@@H] 2 [C@@H] ( C C C ( [O-] ) = O ) C ) C ) = O | MIKNAVSLVTGGASGLGRATAERLAKQGASVILADLPSSKGNEVAKELGDKVVFVPVDVTSEKDVSAALQTAKDKFGRLDLTVNCAGTATAVKTFNFNKNVAHRLEDFQRVININTVGTFNVIRLSAGLMGANEPNQDGQRGVIVNTASVAAFDGQIGQAAYSASKAAVVGMTLPIARDLSTQGIRICTIAPGLFNTPMLAALPEKVRTFLAKSIPFPQRLGEPSEYAHLVQAIYENPLLNGEVIRIDGALRMMP | tensor([[-3.7557e-02, -1.0065e-01, 9.0669e-02, 9.4517e-02, -3.9340e-02,
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[C@H] 1 2 [C@@] ( C ) ( [C@H] ( C C 1 ) [C@H] ( C ) C C C ( [O-] ) = O ) C C [C@H] 1 [C@H] 2 C ( = O ) C [C@H] 2 [C@@] 1 ( C C [C@@H] ( C 2 ) O ) C . [H+] . O = P ( O P ( = O ) ( O C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@@H] ( O 1 ) n 1 c 2 n c n c ( c 2 n c 1 ) N ) O ) [O-] ) ( [O-] ) O C [C@H] 1 O [C@@H] ( N 2 C = C ( C ( N ) = O ) C C = C 2 ) [C@H] ( O ) [C@@H] 1 O | C [C@@H] ( [C@H] 1 C C [C@H] 2 [C@H] 3 [C@@H] ( [C@@] 4 ( [C@H] ( C [C@@H] 3 O ) C [C@@H] ( O ) C C 4 ) C ) C C [C@@] 2 1 C ) C C C ( = O ) [O-] . [C@H] 1 ( O ) [C@@H] ( O [C@H] ( C O P ( [O-] ) ( O P ( O C [C@H] 2 O [C@H] ( [C@@H] ( [C@@H] 2 O ) O ) n 2 c n c 3 c 2 n c n c 3 N ) ( = O ) [O-] ) = O ) [C@H] 1 O ) [n+] 1 c c ( c c c 1 ) C ( N ) = O | MIKNAVSLVTGGASGLGRATAERLAKQGASVILADLPSSKGNEVAKELGDKVVFVPVDVTSEKDVSAALQTAKDKFGRLDLTVNCAGTATAVKTFNFNKNVAHRLEDFQRVININTVGTFNVIRLSAGLMGANEPNQDGQRGVIVNTASVAAFDGQIGQAAYSASKAAVVGMTLPIARDLSTQGIRICTIAPGLFNTPMLAALPEKVRTFLAKSIPFPQRLGEPSEYAHLVQAIYENPLLNGEVIRIDGALRMMP | tensor([[-3.7557e-02, -1.0065e-01, 9.0669e-02, 9.4517e-02, -3.9340e-02,
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C ( C [C@@H] ( C ) [C@H] 1 C C [C@H] 2 [C@H] 3 [C@H] ( C C [C@] 1 2 C ) [C@] 1 ( C ) [C@H] ( C [C@@H] 3 O ) C [C@@H] ( O ) C C 1 ) C ( = O ) [O-] . [n+] 1 ( [C@H] 2 [C@@H] ( [C@@H] ( [C@H] ( O 2 ) C O P ( [O-] ) ( O P ( [O-] ) ( O C [C@@H] 2 [C@@H] ( O ) [C@@H] ( O ) [C@H] ( n 3 c n c 4 c 3 n c n c 4 N ) O 2 ) = O ) = O ) O ) O ) c c c c ( C ( = O ) N ) c 1 | [O-] C ( = O ) C C [C@@H] ( C ) [C@H] 1 C C [C@H] 2 [C@H] 3 [C@@H] ( [C@@] 4 ( C ) C C [C@@H] ( C [C@H] 4 C C 3 = O ) O ) C C [C@@] 2 1 C . [H+] . C 1 C C ( C ( = O ) N ) = C N ( C = 1 ) [C@H] 1 [C@H] ( O ) [C@H] ( O ) [C@@H] ( C O P ( = O ) ( [O-] ) O P ( O C [C@@H] 2 [C@@H] ( O ) [C@H] ( [C@H] ( n 3 c 4 n c n c ( N ) c 4 n c 3 ) O 2 ) O ) ( [O-] ) = O ) O 1 | MIKNAVSLVTGGASGLGRATAERLAKQGASVILADLPSSKGNEVAKELGDKVVFVPVDVTSEKDVSAALQTAKDKFGRLDLTVNCAGTATAVKTFNFNKNVAHRLEDFQRVININTVGTFNVIRLSAGLMGANEPNQDGQRGVIVNTASVAAFDGQIGQAAYSASKAAVVGMTLPIARDLSTQGIRICTIAPGLFNTPMLAALPEKVRTFLAKSIPFPQRLGEPSEYAHLVQAIYENPLLNGEVIRIDGALRMMP | tensor([[-3.7557e-02, -1.0065e-01, 9.0669e-02, 9.4517e-02, -3.9340e-02,
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3.1612e-02, -5.5395e-02, -8.3025e-02, 8.2009e-02, 2.1916e-01]]) |
O = C 1 [C@@H] 2 [C@H] ( C C [C@@] 3 ( C ) [C@H] 2 C C [C@@H] 3 [C@H] ( C ) C C C ( [O-] ) = O ) [C@] 2 ( C ) [C@@H] ( C [C@H] ( C C 2 ) O ) C 1 . [H+] . N C ( = O ) C 1 C C = C N ( C = 1 ) [C@@H] 1 O [C@H] ( C O P ( [O-] ) ( = O ) O P ( = O ) ( O C [C@H] 2 O [C@@H] ( n 3 c n c 4 c 3 n c n c 4 N ) [C@H] ( O ) [C@@H] 2 O ) [O-] ) [C@@H] ( O ) [C@H] 1 O | [C@H] 1 2 [C@H] 3 [C@] ( C C [C@@H] 1 [C@@] 1 ( C ) C C [C@H] ( O ) C [C@H] 1 C [C@@H] 2 O ) ( [C@H] ( C C 3 ) [C@@H] ( C C C ( = O ) [O-] ) C ) C . O [C@@H] 1 [C@@H] ( C O P ( [O-] ) ( = O ) O P ( O C [C@@H] 2 [C@@H] ( O ) [C@@H] ( O ) [C@@H] ( O 2 ) [n+] 2 c c c c ( c 2 ) C ( = O ) N ) ( = O ) [O-] ) O [C@H] ( [C@@H] 1 O ) n 1 c n c 2 c 1 n c n c 2 N | MIKNAVSLVTGGASGLGRATAERLAKQGASVILADLPSSKGNEVAKELGDKVVFVPVDVTSEKDVSAALQTAKDKFGRLDLTVNCAGTATAVKTFNFNKNVAHRLEDFQRVININTVGTFNVIRLSAGLMGANEPNQDGQRGVIVNTASVAAFDGQIGQAAYSASKAAVVGMTLPIARDLSTQGIRICTIAPGLFNTPMLAALPEKVRTFLAKSIPFPQRLGEPSEYAHLVQAIYENPLLNGEVIRIDGALRMMP | tensor([[-3.7557e-02, -1.0065e-01, 9.0669e-02, 9.4517e-02, -3.9340e-02,
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C ( = C ( / C C C = C ( C ) C ) C ) \ C O P ( [O-] ) ( O P ( [O-] ) ( = O ) [O-] ) = O | P ( [O-] ) ( = O ) ( O P ( [O-] ) ( O ) = O ) [O-] . C ( [C@@H] 1 C C = C ( C ) C C 1 ) ( = C ) C | MSIFSTRYLVTPFSSFSPPKAFVSKACSLSTGQPLNYSPNISTNIISSSNGIINPIRRSGNYEPTMWNYEYIQSTHNHHVGEKYMKRFNELKAEMKKHLMMMLHEESQELEKLELIDNLQRLGVSYHFKDEIIQILRSIHDQSSSEATSANSLYYTALKFRILRQHGFYISQDILNDFKDEQGHFKQSLCKDTKGLLQLYEASFLSTKSETSTLLESANTFAMSHLKNYLNGGDEENNWMVKLVRHALEVPLHCMMLRVETRWYIDIYENIPNANPLLIELAKLDFNFVQAMHQQELRNLSRWWKKSMLAEKLPFARDRIVEAFQWITGMIFESQENEFCRIMLTKVTAMATVIDDIYDVYGTLDELEIFTHAIQRMEIKAMDELPHYMKLCYLALFNTSSEIAYQVLKEQGINIMPYLTKSWADLSKSYLQEARWYYSGYTPSLDEYMENAWISVGSLVMVVNAFFLVTNPITKEVLEYLFSNKYPDIIRWPATIIRLTDDLATSSNEMKRGDVPKSIQCYMKENGASEEEARKHINLMIKETWKMINTAQHDNSLFCEKFMGCAVNIARTGQTIYQHGDGHGIQNYKIQNRISKLFFEPITISMP | tensor([[-1.0158e-01, -1.3649e-01, 1.1955e-02, 1.2764e-01, 1.1143e-02,
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O = P ( [O-] ) ( [O-] ) O P ( [O-] ) ( O ) = O . C 1 C = C ( C C [C@@H] 1 C ( = C ) C ) C | [O-] P ( = O ) ( [O-] ) O P ( O C / C = C ( \ C ) C C C = C ( C ) C ) ( [O-] ) = O | MSIFSTRYLVTPFSSFSPPKAFVSKACSLSTGQPLNYSPNISTNIISSSNGIINPIRRSGNYEPTMWNYEYIQSTHNHHVGEKYMKRFNELKAEMKKHLMMMLHEESQELEKLELIDNLQRLGVSYHFKDEIIQILRSIHDQSSSEATSANSLYYTALKFRILRQHGFYISQDILNDFKDEQGHFKQSLCKDTKGLLQLYEASFLSTKSETSTLLESANTFAMSHLKNYLNGGDEENNWMVKLVRHALEVPLHCMMLRVETRWYIDIYENIPNANPLLIELAKLDFNFVQAMHQQELRNLSRWWKKSMLAEKLPFARDRIVEAFQWITGMIFESQENEFCRIMLTKVTAMATVIDDIYDVYGTLDELEIFTHAIQRMEIKAMDELPHYMKLCYLALFNTSSEIAYQVLKEQGINIMPYLTKSWADLSKSYLQEARWYYSGYTPSLDEYMENAWISVGSLVMVVNAFFLVTNPITKEVLEYLFSNKYPDIIRWPATIIRLTDDLATSSNEMKRGDVPKSIQCYMKENGASEEEARKHINLMIKETWKMINTAQHDNSLFCEKFMGCAVNIARTGQTIYQHGDGHGIQNYKIQNRISKLFFEPITISMP | tensor([[-1.0158e-01, -1.3649e-01, 1.1955e-02, 1.2764e-01, 1.1143e-02,
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[O-] P ( O P ( [O-] ) ( O ) = O ) ( [O-] ) = O . C 1 C [C@H] ( C ( C ) = C ) C C = C 1 C | C C ( = C C C / C ( = C / C O P ( O P ( = O ) ( [O-] ) [O-] ) ( = O ) [O-] ) C ) C | MSPVSAIPLAYKLCLPRSLISSSRELNPLHITIPNLGMCRRGKSMAPASMSMILTAAVSDDDRVQRRRGNYHSNLWDDDFIQSLSTPYGEPSYRESAERLKGEIKKMFRSMSKEDEELITPLNDLIQRLWMVDSVERLGIDRHFKNEIKSALDYVYSYWNEKGIGCGRDSVVADLNSTALGFRTLRLHGYNVSSEVLKVFEDQNGQFACSPSKTEGEIRSALNLYRASLIAFPGEKVMEDAEIFSSRYLKEAVQKIPDCSLSQEIAYALEYGWHTNMPRLEARNYMDVFGHPSSPWLKKNKTQYMDGEKLLELAKLEFNIFHSLQQEELQYISRWWKDSGLPKLAFSRHRHVEYYTLGSCIATDPKHRAFRLGFVKTCHLNTVLDDIYDTFGTMDEIELFTEAVRRWDPSETESLPDYMKGVYMVLYEALTEMAQEAEKTQGRDTLNYARKAWEIYLDSYIQEAKWIASGYLPTFQEYFENGKISSAYRAAALTPILTLDVPLPEYILKGIDFPSRFNDLASSFLRLRGDTRCYKADRARGEEASCISCYMKDNPGSTEEDALNHINSMINEIIKELNWELLRPDSNIPMPARKHAFDITRALHHLYKYRDGFSVATKETKSLVSRMVLEPVTL | tensor([[-9.6280e-02, -2.0007e-01, 4.7344e-02, 4.3870e-02, -2.3171e-02,
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C ( / C = C ( \ C ) C C C = C ( C ) C ) O P ( = O ) ( [O-] ) O P ( [O-] ) ( = O ) [O-] | O = P ( [O-] ) ( [O-] ) O P ( [O-] ) ( O ) = O . [C@H] 1 ( C C = C ( C ) C C 1 ) C ( C ) = C | MSPVSAIPLAYKLCLPRSLISSSRELNPLHITIPNLGMCRRGKSMAPASMSMILTAAVSDDDRVQRRRGNYHSNLWDDDFIQSLSTPYGEPSYRESAERLKGEIKKMFRSMSKEDEELITPLNDLIQRLWMVDSVERLGIDRHFKNEIKSALDYVYSYWNEKGIGCGRDSVVADLNSTALGFRTLRLHGYNVSSEVLKVFEDQNGQFACSPSKTEGEIRSALNLYRASLIAFPGEKVMEDAEIFSSRYLKEAVQKIPDCSLSQEIAYALEYGWHTNMPRLEARNYMDVFGHPSSPWLKKNKTQYMDGEKLLELAKLEFNIFHSLQQEELQYISRWWKDSGLPKLAFSRHRHVEYYTLGSCIATDPKHRAFRLGFVKTCHLNTVLDDIYDTFGTMDEIELFTEAVRRWDPSETESLPDYMKGVYMVLYEALTEMAQEAEKTQGRDTLNYARKAWEIYLDSYIQEAKWIASGYLPTFQEYFENGKISSAYRAAALTPILTLDVPLPEYILKGIDFPSRFNDLASSFLRLRGDTRCYKADRARGEEASCISCYMKDNPGSTEEDALNHINSMINEIIKELNWELLRPDSNIPMPARKHAFDITRALHHLYKYRDGFSVATKETKSLVSRMVLEPVTL | tensor([[-9.6280e-02, -2.0007e-01, 4.7344e-02, 4.3870e-02, -2.3171e-02,
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C 1 ( = C C [C@H] ( C C 1 ) C ( = C ) C ) C . [O-] P ( = O ) ( O P ( = O ) ( [O-] ) [O-] ) O | [O-] P ( O C / C = C ( / C C C = C ( C ) C ) C ) ( O P ( [O-] ) ( [O-] ) = O ) = O | MSPVSAIPLAYKLCLPRSLISSSRELNPLHITIPNLGMCRRGKSMAPASMSMILTAAVSDDDRVQRRRGNYHSNLWDDDFIQSLSTPYGEPSYRESAERLKGEIKKMFRSMSKEDEELITPLNDLIQRLWMVDSVERLGIDRHFKNEIKSALDYVYSYWNEKGIGCGRDSVVADLNSTALGFRTLRLHGYNVSSEVLKVFEDQNGQFACSPSKTEGEIRSALNLYRASLIAFPGEKVMEDAEIFSSRYLKEAVQKIPDCSLSQEIAYALEYGWHTNMPRLEARNYMDVFGHPSSPWLKKNKTQYMDGEKLLELAKLEFNIFHSLQQEELQYISRWWKDSGLPKLAFSRHRHVEYYTLGSCIATDPKHRAFRLGFVKTCHLNTVLDDIYDTFGTMDEIELFTEAVRRWDPSETESLPDYMKGVYMVLYEALTEMAQEAEKTQGRDTLNYARKAWEIYLDSYIQEAKWIASGYLPTFQEYFENGKISSAYRAAALTPILTLDVPLPEYILKGIDFPSRFNDLASSFLRLRGDTRCYKADRARGEEASCISCYMKDNPGSTEEDALNHINSMINEIIKELNWELLRPDSNIPMPARKHAFDITRALHHLYKYRDGFSVATKETKSLVSRMVLEPVTL | tensor([[-9.6280e-02, -2.0007e-01, 4.7344e-02, 4.3870e-02, -2.3171e-02,
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O = P ( O P ( [O-] ) ( = O ) O C / C = C ( / C C C = C ( C ) C ) C ) ( [O-] ) [O-] | C 1 [C@@H] ( C ( = C ) C ) C C C ( = C 1 ) C . P ( O P ( [O-] ) ( [O-] ) = O ) ( O ) ( [O-] ) = O | MALLSVAPLASKSRLHKTLITSAHHLKPSPTTIPTLPVCTRRKTFTASITMCLTAPVSDDGVKRRIGNHHSNLWDHDFILSLSTPYEAPSYRERAARLISEVKEMFTEIEDGLSITPLNDLLSRLSMVDSIERLGVDRHFKMEIKSALDYVHRYWSEKGIGCGRESGVTDLNSTALGLRTLRLHGYPVSSSVLEQFKDEKGQFATSSIQTDPGEIRTIFNLFRASLVAFPNEKVMEDAQIFSTIYLKEYLEKIPLSSLSRQIEYVMEYGWHTNLPRLEARHYMDVFGDNEMPWMSYVNTEKLLELAKLEFNIFHSIQQRELKHISRWWKDSGFSQMNFVRHRHVEYYTLASCFAIDPEHSAFRVSFAKMCHLGTVLDDIYDTFGTMEELQLFTAAVKRWDPSATDSLPEYMKRVYTVLYETVNEMAQVAKKSQGRDTINYARHAWEAYLDSYMKEAEWISTGCLPTFEEYYENGKISFGYRICMLQPILSMDIPFPHHILQEIDYPSRFSSLAAGILRLKGDTRCYQADSARGEEASCISCYMKENPGLTEEDVVNHIHGMVDDLIKELNWELLKPDCNVPISSKKHAFDICRAFHHGYKYRDGYSVATNEIKDLVMITVLEPVPL | tensor([[-8.0432e-02, -1.7930e-01, 5.4231e-02, 4.6673e-02, -3.7431e-02,
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O = P ( [O-] ) ( O P ( = O ) ( O ) [O-] ) [O-] . C 1 = C ( C C [C@@H] ( C 1 ) C ( C ) = C ) C | P ( O C / C = C ( / C C C = C ( C ) C ) C ) ( [O-] ) ( = O ) O P ( [O-] ) ( = O ) [O-] | MALLSVAPLASKSRLHKTLITSAHHLKPSPTTIPTLPVCTRRKTFTASITMCLTAPVSDDGVKRRIGNHHSNLWDHDFILSLSTPYEAPSYRERAARLISEVKEMFTEIEDGLSITPLNDLLSRLSMVDSIERLGVDRHFKMEIKSALDYVHRYWSEKGIGCGRESGVTDLNSTALGLRTLRLHGYPVSSSVLEQFKDEKGQFATSSIQTDPGEIRTIFNLFRASLVAFPNEKVMEDAQIFSTIYLKEYLEKIPLSSLSRQIEYVMEYGWHTNLPRLEARHYMDVFGDNEMPWMSYVNTEKLLELAKLEFNIFHSIQQRELKHISRWWKDSGFSQMNFVRHRHVEYYTLASCFAIDPEHSAFRVSFAKMCHLGTVLDDIYDTFGTMEELQLFTAAVKRWDPSATDSLPEYMKRVYTVLYETVNEMAQVAKKSQGRDTINYARHAWEAYLDSYMKEAEWISTGCLPTFEEYYENGKISFGYRICMLQPILSMDIPFPHHILQEIDYPSRFSSLAAGILRLKGDTRCYQADSARGEEASCISCYMKENPGLTEEDVVNHIHGMVDDLIKELNWELLKPDCNVPISSKKHAFDICRAFHHGYKYRDGYSVATNEIKDLVMITVLEPVPL | tensor([[-8.0432e-02, -1.7930e-01, 5.4231e-02, 4.6673e-02, -3.7431e-02,
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O ( C / C = C ( \ C ) C C C = C ( C ) C ) P ( O P ( [O-] ) ( = O ) [O-] ) ( = O ) [O-] | O = P ( [O-] ) ( O P ( O ) ( = O ) [O-] ) [O-] . C ( [C@H] 1 C C C ( = C C 1 ) C ) ( = C ) C | MQCIAFHQFASSSSLPIWSSIDNRFTPKTSITSISKPKPKLKSKSNLKSRSRSSTCYSIQCTVVDNPSSTITNNSDRRSANYGPPIWSFDFVQSLPIQYKGESYTSRLNKLEKDVKRMLIGVENSLAQLELIDTIQRLGISYRFENEIISILKEKFTNNNDNPNPNYDLYATALQFRLLRQYGFEVPQEIFNNFKNHKTGEFKANISNDIMGALGLYEASFHGKKGESILEEARIFTTKCLKKYKLMSSSNNNNMTLISLLVNHALEMPLQWRITRSEAKWFIEEIYERKQDMNPTLLEFAKLDFNMLQSTYQEELKVLSRWWKDSKLGEKLPFVRDRLVECFLWQVGVRFEPQFSYFRIMDTKLYVLLTIIDDMHDIYGTLEELQLFTNALQRWDLKELDKLPDYMKTAFYFTYNFTNELAFDVLQEHGFVHIEYFKKLMVELCKHHLQEAKWFYSGYKPTLQEYVENGWLSVGGQVILMHAYFAFTNPVTKEALECLKDGHPNIVRHASIILRLADDLGTLSDELKRGDVPKSIQCYMHDTGASEDEAREHIKYLISESWKEMNNEDGNINSFFSNEFVQVCQNLGRASQFIYQYGDGHASQNNLSKERVLGLIITPIPM | tensor([[-1.0257e-01, -1.3240e-01, 2.0084e-02, 1.0517e-01, 2.2901e-02,
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O P ( = O ) ( [O-] ) O P ( = O ) ( [O-] ) [O-] . [C@@H] 1 ( C ( C ) = C ) C C = C ( C ) C C 1 | C ( \ C C C = C ( C ) C ) ( = C / C O P ( = O ) ( [O-] ) O P ( = O ) ( [O-] ) [O-] ) C | MQCIAFHQFASSSSLPIWSSIDNRFTPKTSITSISKPKPKLKSKSNLKSRSRSSTCYSIQCTVVDNPSSTITNNSDRRSANYGPPIWSFDFVQSLPIQYKGESYTSRLNKLEKDVKRMLIGVENSLAQLELIDTIQRLGISYRFENEIISILKEKFTNNNDNPNPNYDLYATALQFRLLRQYGFEVPQEIFNNFKNHKTGEFKANISNDIMGALGLYEASFHGKKGESILEEARIFTTKCLKKYKLMSSSNNNNMTLISLLVNHALEMPLQWRITRSEAKWFIEEIYERKQDMNPTLLEFAKLDFNMLQSTYQEELKVLSRWWKDSKLGEKLPFVRDRLVECFLWQVGVRFEPQFSYFRIMDTKLYVLLTIIDDMHDIYGTLEELQLFTNALQRWDLKELDKLPDYMKTAFYFTYNFTNELAFDVLQEHGFVHIEYFKKLMVELCKHHLQEAKWFYSGYKPTLQEYVENGWLSVGGQVILMHAYFAFTNPVTKEALECLKDGHPNIVRHASIILRLADDLGTLSDELKRGDVPKSIQCYMHDTGASEDEAREHIKYLISESWKEMNNEDGNINSFFSNEFVQVCQNLGRASQFIYQYGDGHASQNNLSKERVLGLIITPIPM | tensor([[-1.0257e-01, -1.3240e-01, 2.0084e-02, 1.0517e-01, 2.2901e-02,
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[O-] P ( = O ) ( O P ( [O-] ) ( [O-] ) = O ) O C / C = C ( / C C C = C ( C ) C ) C | O = P ( O P ( = O ) ( [O-] ) [O-] ) ( O ) [O-] . C ( [C@H] 1 C C C ( C ) = C C 1 ) ( = C ) C | MAGITGVMNMKLAARPSSGRHSRGCRPAVVPSAGKQMLLVRRHPPGSASWPTRATGGGGGGVPAGATAADSSGQAKEEEEEDRASRNTSSFEPSIWGDFFLTYSSPLATSSAQKARMVHRAEQLKKQVAKLIAASGACSLYHRIHLVDALERLCLDYLFEDEINDMVTQIHNVDVSGCDLQTVAMWFYLLRNHGYRVSSDVVFAKFRDEQGGFAANNPRDLLNLYNAACLRTHGETILDEAASFTSKCLKSLAPYTYMEASLASEIKRALEIPLPRSVRIYGAKSRIAEYGNQTEANELVLELAKLNYNLVQLQHQEELKIITRWWNDLELQTRLSFARDRVVECYFWMVGVYFEPSYSRARVILSKVLAIVSLLDDTYDVYGTSQECELFTKCIESWDPAATGGRLPGNMKFIFAKILDTCQSFEDELAPDEKYRMHYLKTFIIDLVRAYNEEVKWREQGYVPATVEEHLQVSARSGGCHLLSCTSFVGMGDVADQEAFEWVRGVPKIVKALCIILRLSDDLKSYEREKMSSHVASTMESCMKEHQVPLEVARVKIQETIDETWKDFNEEWLNLNTNSHLPRELLERIFNLTRTMVYIYQQDDAYTNCHVIKDTINSLFVEPVSIT | tensor([[-4.5604e-02, -1.9045e-01, 1.0796e-02, 1.0335e-01, -1.8017e-02,
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C = C ( [C@@H] 1 C C = C ( C C 1 ) C ) C . O = P ( [O-] ) ( [O-] ) O P ( [O-] ) ( O ) = O | C ( = C C C / C ( = C / C O P ( = O ) ( [O-] ) O P ( [O-] ) ( [O-] ) = O ) C ) ( C ) C | MAGITGVMNMKLAARPSSGRHSRGCRPAVVPSAGKQMLLVRRHPPGSASWPTRATGGGGGGVPAGATAADSSGQAKEEEEEDRASRNTSSFEPSIWGDFFLTYSSPLATSSAQKARMVHRAEQLKKQVAKLIAASGACSLYHRIHLVDALERLCLDYLFEDEINDMVTQIHNVDVSGCDLQTVAMWFYLLRNHGYRVSSDVVFAKFRDEQGGFAANNPRDLLNLYNAACLRTHGETILDEAASFTSKCLKSLAPYTYMEASLASEIKRALEIPLPRSVRIYGAKSRIAEYGNQTEANELVLELAKLNYNLVQLQHQEELKIITRWWNDLELQTRLSFARDRVVECYFWMVGVYFEPSYSRARVILSKVLAIVSLLDDTYDVYGTSQECELFTKCIESWDPAATGGRLPGNMKFIFAKILDTCQSFEDELAPDEKYRMHYLKTFIIDLVRAYNEEVKWREQGYVPATVEEHLQVSARSGGCHLLSCTSFVGMGDVADQEAFEWVRGVPKIVKALCIILRLSDDLKSYEREKMSSHVASTMESCMKEHQVPLEVARVKIQETIDETWKDFNEEWLNLNTNSHLPRELLERIFNLTRTMVYIYQQDDAYTNCHVIKDTINSLFVEPVSIT | tensor([[-4.5604e-02, -1.9045e-01, 1.0796e-02, 1.0335e-01, -1.8017e-02,
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C C ( C ) = C C C / C ( = C / C O P ( = O ) ( O P ( [O-] ) ( [O-] ) = O ) [O-] ) C | C 1 [C@@H] ( C C = C ( C ) C 1 ) C ( = C ) C . P ( = O ) ( O P ( [O-] ) ( = O ) [O-] ) ( [O-] ) O | MALLSVAPLASKSRLHKTLITSAHHLKPSPTTIPTLPVCTRRKTFTASITMCLTAPVSDDGVKRRIGNHHSNLWDHDFILSLSTPYEAPSYRERAARLISEVKEMFTEIEDGLSITPLNDLLSRLSMVDSIERLGVDRHFKMEIKSALDYVHRYWSEKGIGCGRESGVTDLNSTALGLRTLRLHGYPVSSSVLEQFKDEKGQFATSSIQTDPGEIRTIFNLFRASLVAFPNEKVMEDAQIFSTIYLKEYLEKIPLSSLSRQIEYVMEYGWHTNLPRLEARHYMDVFGDNEMPWMSYVNTEKLLELAKLEFNIFHSIQQRELKHISRWWKDSGFSQMNFVRHRHVEYYTLASCFAIDPEHSAFRVSFAKMCHLGTVLDDIYDTFGTMEELQLFTAAVKRWDPSATDSLPEYMKRVYTVLYETVNEMAQVAKKSQGRDTINYARHAWEAYLDSYMKEAEWISTGCLPTFEEYYENGKISFGYRICMLQPILSMDIPFPHHILQEIDYPSRFSSLAAGILRLKGDTRCYQADSARGEEASCISCYMKENPGLTEEDVVNHIHGMVDDLIKELNWELLKPDCNVPISSKKHAFDICRAFHHGYKYRDGYSVATNEIKDLVMITVLEPVPL | tensor([[-8.0432e-02, -1.7930e-01, 5.4231e-02, 4.6673e-02, -3.7431e-02,
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C 1 [C@H] ( C C C ( = C 1 ) C ) C ( = C ) C . P ( O P ( [O-] ) ( = O ) [O-] ) ( O ) ( = O ) [O-] | C ( C ) ( = C C C / C ( C ) = C / C O P ( [O-] ) ( = O ) O P ( = O ) ( [O-] ) [O-] ) C | MALLSVAPLASKSRLHKTLITSAHHLKPSPTTIPTLPVCTRRKTFTASITMCLTAPVSDDGVKRRIGNHHSNLWDHDFILSLSTPYEAPSYRERAARLISEVKEMFTEIEDGLSITPLNDLLSRLSMVDSIERLGVDRHFKMEIKSALDYVHRYWSEKGIGCGRESGVTDLNSTALGLRTLRLHGYPVSSSVLEQFKDEKGQFATSSIQTDPGEIRTIFNLFRASLVAFPNEKVMEDAQIFSTIYLKEYLEKIPLSSLSRQIEYVMEYGWHTNLPRLEARHYMDVFGDNEMPWMSYVNTEKLLELAKLEFNIFHSIQQRELKHISRWWKDSGFSQMNFVRHRHVEYYTLASCFAIDPEHSAFRVSFAKMCHLGTVLDDIYDTFGTMEELQLFTAAVKRWDPSATDSLPEYMKRVYTVLYETVNEMAQVAKKSQGRDTINYARHAWEAYLDSYMKEAEWISTGCLPTFEEYYENGKISFGYRICMLQPILSMDIPFPHHILQEIDYPSRFSSLAAGILRLKGDTRCYQADSARGEEASCISCYMKENPGLTEEDVVNHIHGMVDDLIKELNWELLKPDCNVPISSKKHAFDICRAFHHGYKYRDGYSVATNEIKDLVMITVLEPVPL | tensor([[-8.0432e-02, -1.7930e-01, 5.4231e-02, 4.6673e-02, -3.7431e-02,
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[O-] P ( = O ) ( [O-] ) O P ( [O-] ) ( O ) = O . C 1 ( = C C [C@@H] ( C ( C ) = C ) C C 1 ) C | [O-] P ( O P ( O C / C = C ( \ C ) C C C = C ( C ) C ) ( [O-] ) = O ) ( = O ) [O-] | MAGITGVMNMKLAARPSSGRHSRGCRPAVVPSAGKQMLLVRRHPPGSASWPTRATGGGGGGVPAGATAADSSGQAKEEEEEDRASRNTSSFEPSIWGDFFLTYSSPLATSSAQKARMVHRAEQLKKQVAKLIAASGACSLYHRIHLVDALERLCLDYLFEDEINDMVTQIHNVDVSGCDLQTVAMWFYLLRNHGYRVSSDVVFAKFRDEQGGFAANNPRDLLNLYNAACLRTHGETILDEAASFTSKCLKSLAPYTYMEASLASEIKRALEIPLPRSVRIYGAKSRIAEYGNQTEANELVLELAKLNYNLVQLQHQEELKIITRWWNDLELQTRLSFARDRVVECYFWMVGVYFEPSYSRARVILSKVLAIVSLLDDTYDVYGTSQECELFTKCIESWDPAATGGRLPGNMKFIFAKILDTCQSFEDELAPDEKYRMHYLKTFIIDLVRAYNEEVKWREQGYVPATVEEHLQVSARSGGCHLLSCTSFVGMGDVADQEAFEWVRGVPKIVKALCIILRLSDDLKSYEREKMSSHVASTMESCMKEHQVPLEVARVKIQETIDETWKDFNEEWLNLNTNSHLPRELLERIFNLTRTMVYIYQQDDAYTNCHVIKDTINSLFVEPVSIT | tensor([[-4.5604e-02, -1.9045e-01, 1.0796e-02, 1.0335e-01, -1.8017e-02,
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C ( / C ( = C / C O P ( = O ) ( [O-] ) O P ( = O ) ( [O-] ) [O-] ) C ) C C = C ( C ) C | [O-] P ( O P ( [O-] ) ( = O ) O ) ( [O-] ) = O . C 1 [C@H] ( C C C ( = C 1 ) C ) C ( = C ) C | MAAPTLTTDGPRLGQQEMKKMSPSFHPTLWGDFFLSYEAPTEAQEAEMRQRAEVLREEVRNMIKGSHDVPEIVDLIITLQRLNLDYHYEDEINEKLAVVYNSNYDGGNLDLVSRRFYLLRKCGYHVSSDVFLNFKDQYGNFIEVDTRSLLSLYNAAYLRIHGETVLDEAISFTTRCLQDRLEHLESPIAEEVSSALDTPLFRRVGTLEMKDYIPIYEKDAKQNKSILEFAKLNFNLLQLLYSSELKECTTWWKELRVESNLSFVRDRIVEVYFWMSGGCYDPQYSHSRIILTKIVAFITILDDTLDSHANSYESMQLAEAVERWDESAVSLLPEYMKDFYMYLLKTFSSFENELGPDKSYRVFYLKEAVKELVREYTKEIKWRDEDYVPKTLKEHLKVSLISIGGTLVLCSAFVGMGDVVTKKIMEWVMSDAELVKSFGIFVRLSNDIVSTKREQREKHCVSTVQCYMKQHELTMDEACEQIKELTEDSWKFMIEQGLALKEYPIIVPRTVLEFARTVDYMYKEADKYTVSHTIKDMLTSLYVKPVLM | tensor([[-1.0397e-01, -1.9389e-01, 1.5643e-02, 1.0397e-01, 4.1786e-02,
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-6.4984e-02, -1.0229e-01, -1.7283e-02, -6.6262e-02, 8.5270e-02]]) |
P ( = O ) ( [O-] ) ( [O-] ) O P ( [O-] ) ( O ) = O . C = C ( [C@H] 1 C C C ( = C C 1 ) C ) C | C C ( = C C C / C ( = C / C O P ( O P ( [O-] ) ( = O ) [O-] ) ( = O ) [O-] ) C ) C | MAAPTLTTDGPRLGQQEMKKMSPSFHPTLWGDFFLSYEAPTEAQEAEMRQRAEVLREEVRNMIKGSHDVPEIVDLIITLQRLNLDYHYEDEINEKLAVVYNSNYDGGNLDLVSRRFYLLRKCGYHVSSDVFLNFKDQYGNFIEVDTRSLLSLYNAAYLRIHGETVLDEAISFTTRCLQDRLEHLESPIAEEVSSALDTPLFRRVGTLEMKDYIPIYEKDAKQNKSILEFAKLNFNLLQLLYSSELKECTTWWKELRVESNLSFVRDRIVEVYFWMSGGCYDPQYSHSRIILTKIVAFITILDDTLDSHANSYESMQLAEAVERWDESAVSLLPEYMKDFYMYLLKTFSSFENELGPDKSYRVFYLKEAVKELVREYTKEIKWRDEDYVPKTLKEHLKVSLISIGGTLVLCSAFVGMGDVVTKKIMEWVMSDAELVKSFGIFVRLSNDIVSTKREQREKHCVSTVQCYMKQHELTMDEACEQIKELTEDSWKFMIEQGLALKEYPIIVPRTVLEFARTVDYMYKEADKYTVSHTIKDMLTSLYVKPVLM | tensor([[-1.0397e-01, -1.9389e-01, 1.5643e-02, 1.0397e-01, 4.1786e-02,
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-6.4984e-02, -1.0229e-01, -1.7283e-02, -6.6262e-02, 8.5270e-02]]) |
[O-] P ( O P ( = O ) ( O C / C = C ( \ C ) C C C = C ( C ) C ) [O-] ) ( [O-] ) = O | [O-] P ( [O-] ) ( O P ( O ) ( [O-] ) = O ) = O . C = C ( C ) [C@@H] 1 C C = C ( C ) C C 1 | MAAPTLTTDGPRLGQQEMKKMSPSFHPTLWGDFFLSYEAPTEAQEAEMRQRAEVLREEVRNMIKGSHDVPEIVDLIITLQRLNLDYHYEDEINEKLAVVYNSNYDGGNLDLVSRRFYLLRKCGYHVSSDVFLNFKDQYGNFIEVDTRSLLSLYNAAYLRIHGETVLDEAISFTTRCLQDRLEHLESPIAEEVSSALDTPLFRRVGTLEMKDYIPIYEKDAKQNKSILEFAKLNFNLLQLLYSSELKECTTWWKELRVESNLSFVRDRIVEVYFWMSGGCYDPQYSHSRIILTKIVAFITILDDTLDSHANSYESMQLAEAVERWDESAVSLLPEYMKDFYMYLLKTFSSFENELGPDKSYRVFYLKEAVKELVREYTKEIKWRDEDYVPKTLKEHLKVSLISIGGTLVLCSAFVGMGDVVTKKIMEWVMSDAELVKSFGIFVRLSNDIVSTKREQREKHCVSTVQCYMKQHELTMDEACEQIKELTEDSWKFMIEQGLALKEYPIIVPRTVLEFARTVDYMYKEADKYTVSHTIKDMLTSLYVKPVLM | tensor([[-1.0397e-01, -1.9389e-01, 1.5643e-02, 1.0397e-01, 4.1786e-02,
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[O-] P ( [O-] ) ( O P ( O ) ( [O-] ) = O ) = O . C C 1 C C [C@H] ( C ( C ) = C ) C C = 1 | O ( P ( O C / C = C ( / C C C = C ( C ) C ) C ) ( = O ) [O-] ) P ( [O-] ) ( [O-] ) = O | MAAPTLTTDGPRLGQQEMKKMSPSFHPTLWGDFFLSYEAPTEAQEAEMRQRAEVLREEVRNMIKGSHDVPEIVDLIITLQRLNLDYHYEDEINEKLAVVYNSNYDGGNLDLVSRRFYLLRKCGYHVSSDVFLNFKDQYGNFIEVDTRSLLSLYNAAYLRIHGETVLDEAISFTTRCLQDRLEHLESPIAEEVSSALDTPLFRRVGTLEMKDYIPIYEKDAKQNKSILEFAKLNFNLLQLLYSSELKECTTWWKELRVESNLSFVRDRIVEVYFWMSGGCYDPQYSHSRIILTKIVAFITILDDTLDSHANSYESMQLAEAVERWDESAVSLLPEYMKDFYMYLLKTFSSFENELGPDKSYRVFYLKEAVKELVREYTKEIKWRDEDYVPKTLKEHLKVSLISIGGTLVLCSAFVGMGDVVTKKIMEWVMSDAELVKSFGIFVRLSNDIVSTKREQREKHCVSTVQCYMKQHELTMDEACEQIKELTEDSWKFMIEQGLALKEYPIIVPRTVLEFARTVDYMYKEADKYTVSHTIKDMLTSLYVKPVLM | tensor([[-1.0397e-01, -1.9389e-01, 1.5643e-02, 1.0397e-01, 4.1786e-02,
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