Mercurial > repos > deepakjadmin > mayatool3_test2
diff data/AminoAcids.sdf @ 0:4816e4a8ae95 draft default tip
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| author | deepakjadmin |
|---|---|
| date | Wed, 20 Jan 2016 09:23:18 -0500 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/data/AminoAcids.sdf Wed Jan 20 09:23:18 2016 -0500 @@ -0,0 +1,1022 @@ +Ala + MayaChem07151112042D + + 6 5 0 0 0 0 0 0 0 0999 V2000 + 0.0000 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 1.3999 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + 2.4249 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6373 1.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4249 3.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 2 1 0 0 0 0 + 4 3 1 0 0 0 0 + 3 5 2 0 0 0 0 + 2 6 1 0 0 0 0 +M END +> <AminoAcid> +Alanine + +> <ThreeLetterCode> +Ala + +> <OneLetterCode> +A + +> <MolecularWeight> +89.09318 + +> <MolecularFormula> +C3H7NO2 + +> <DNACodons> +GCT, GCC, GCA, GCG + +> <RNACodons> +GCA, GCC, GCG, GCU + +> <LinearStructure> +CH3--CH(NH2)--COOH + +> <LinearStructureAtpH7_4> +CH3--CH(NH3+)--COO- + +$$$$ +Arg + MayaChem07151112042D + + 12 11 0 0 0 0 0 0 0 0999 V2000 + 6.0622 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2746 1.3999 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + 8.4870 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6995 1.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4870 3.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2746 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8497 1.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6373 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4249 1.3999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 1.3999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 3.4998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 2 1 0 0 0 0 + 4 3 1 0 0 0 0 + 3 5 2 0 0 0 0 + 2 6 1 0 0 0 0 + 7 1 1 0 0 0 0 + 8 7 1 0 0 0 0 + 9 8 1 0 0 0 0 + 10 9 1 0 0 0 0 + 11 10 1 0 0 0 0 + 10 12 2 0 0 0 0 +M END +> <AminoAcid> +Arginine + +> <ThreeLetterCode> +Arg + +> <OneLetterCode> +R + +> <MolecularWeight> +174.20096 + +> <MolecularFormula> +C6H14N4O2 + +> <DNACodons> +CGT, CGC, CGA, CGG, AGA, AGG + +> <RNACodons> +AGA, AGG, CGA, CGC, CGG, CGU + +> <LinearStructure> +HN==C(NH2)--NH--CH2--CH2--CH2--CH(NH2)--COOH + +> <LinearStructureAtpH7_4> +H2N+==C(NH2)--NH--CH2--CH2--CH2--CH(NH3+)--COO- + +$$$$ +Asn + MayaChem07151112042D + + 9 8 0 0 0 0 0 0 0 0999 V2000 + 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6373 1.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + 4.8497 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0622 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8497 3.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6373 0.0001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 2 1 0 0 0 0 + 4 3 1 0 0 0 0 + 3 5 2 0 0 0 0 + 2 6 1 0 0 0 0 + 7 1 1 0 0 0 0 + 8 7 1 0 0 0 0 + 7 9 2 0 0 0 0 +M END +> <AminoAcid> +Asparagine + +> <ThreeLetterCode> +Asn + +> <OneLetterCode> +N + +> <MolecularWeight> +132.11792 + +> <MolecularFormula> +C4H8N2O3 + +> <DNACodons> +AAT, AAC + +> <RNACodons> +AAC, AAU + +> <LinearStructure> +H2N--CO--CH2--CH(NH2)--COOH + +> <LinearStructureAtpH7_4> +H2N--CO--CH2--CH(NH3+)--COO- + +$$$$ +Asp + MayaChem07151112042D + + 9 8 0 0 0 0 0 0 0 0999 V2000 + 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6373 1.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + 4.8497 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0622 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8497 3.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6373 0.0001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 2 1 0 0 0 0 + 4 3 1 0 0 0 0 + 3 5 2 0 0 0 0 + 2 6 1 0 0 0 0 + 7 1 1 0 0 0 0 + 8 7 1 0 0 0 0 + 7 9 2 0 0 0 0 +M END +> <AminoAcid> +Aspartic acid + +> <ThreeLetterCode> +Asp + +> <OneLetterCode> +D + +> <MolecularWeight> +133.10268 + +> <MolecularFormula> +C4H7NO4 + +> <DNACodons> +GAT, GAC + +> <RNACodons> +GAC, GAU + +> <LinearStructure> +HOOC--CH2--CH(NH2)--COOH + +> <LinearStructureAtpH7_4> +HOOC--CH2--CH(NH3+)--COO- + +$$$$ +Cys + MayaChem07151112042D + + 7 6 0 0 0 0 0 0 0 0999 V2000 + 1.2123 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4248 1.3999 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + 3.6372 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8496 1.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6372 3.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4248 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 1.3999 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 2 1 0 0 0 0 + 4 3 1 0 0 0 0 + 3 5 2 0 0 0 0 + 2 6 1 0 0 0 0 + 1 7 1 0 0 0 0 +M END +> <AminoAcid> +Cysteine + +> <ThreeLetterCode> +Cys + +> <OneLetterCode> +C + +> <MolecularWeight> +121.15818 + +> <MolecularFormula> +C3H7NO2S + +> <DNACodons> +TGT, TGC + +> <RNACodons> +UGC, UGU + +> <LinearStructure> +HS--CH2--CH(NH2)--COOH + +> <LinearStructureAtpH7_4> +HS--CH2--CH(NH3+)--COO- + +$$$$ +Gln + MayaChem07151112042D + + 10 9 0 0 0 0 0 0 0 0999 V2000 + 3.6373 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8497 1.3999 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + 6.0622 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2746 1.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0622 3.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8497 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4249 1.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 1.3999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 3.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 2 1 0 0 0 0 + 4 3 1 0 0 0 0 + 3 5 2 0 0 0 0 + 2 6 1 0 0 0 0 + 7 1 1 0 0 0 0 + 8 7 1 0 0 0 0 + 9 8 1 0 0 0 0 + 8 10 2 0 0 0 0 +M END +> <AminoAcid> +Glutamine + +> <ThreeLetterCode> +Gln + +> <OneLetterCode> +Q + +> <MolecularWeight> +146.1445 + +> <MolecularFormula> +C5H10N2O3 + +> <DNACodons> +CAA, CAG + +> <RNACodons> +CAA, CAG + +> <LinearStructure> +H2N--CO--CH2--CH2--CH(NH2)--COOH + +> <LinearStructureAtpH7_4> +H2N--CO--CH2--CH2--CH(NH3+)--COO- + +$$$$ +Glu + MayaChem07151112042D + + 10 9 0 0 0 0 0 0 0 0999 V2000 + 3.6373 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8497 1.3999 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + 6.0622 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2746 1.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0622 3.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8497 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4249 1.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 1.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 3.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 2 1 0 0 0 0 + 4 3 1 0 0 0 0 + 3 5 2 0 0 0 0 + 2 6 1 0 0 0 0 + 7 1 1 0 0 0 0 + 8 7 1 0 0 0 0 + 9 8 1 0 0 0 0 + 8 10 2 0 0 0 0 +M END +> <AminoAcid> +Glutamic acid + +> <ThreeLetterCode> +Glu + +> <OneLetterCode> +E + +> <MolecularWeight> +147.12926 + +> <MolecularFormula> +C5H9NO4 + +> <DNACodons> +GAA, GAG + +> <RNACodons> +GAA, GAG + +> <LinearStructure> +HOOC--CH2--CH2--CH(NH2)--COOH + +> <LinearStructureAtpH7_4> +HOOC--CH2--CH2--CH(NH3+)--COO- + +$$$$ +Gly + MayaChem07151112042D + + 6 5 0 0 0 0 0 0 0 0999 V2000 + 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4250 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6375 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4250 3.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 2.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 2 1 0 0 0 0 + 2 4 2 0 0 0 0 + 1 5 1 0 0 0 0 + 1 6 1 0 0 0 0 +M END +> <AminoAcid> +Glycine + +> <ThreeLetterCode> +Gly + +> <OneLetterCode> +G + +> <MolecularWeight> +75.0666 + +> <MolecularFormula> +C2H5NO2 + +> <DNACodons> +GGT, GGC, GGA, GGG + +> <RNACodons> +GGA, GGC, GGG, GGU + +> <LinearStructure> +CH2(NH2)--COOH + +> <LinearStructureAtpH7_4> +CH2(NH3+)--COO- + +$$$$ +His + MayaChem07151112042D + + 11 11 0 0 0 0 0 0 0 0999 V2000 + 3.4652 2.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.6776 1.5157 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + 5.8900 2.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1025 1.5157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 5.8900 3.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.6776 0.1158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2.2528 1.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0404 2.2157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 1.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5694 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.9618 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 2 1 0 0 0 0 + 4 3 1 0 0 0 0 + 3 5 2 0 0 0 0 + 2 6 1 0 0 0 0 + 1 7 1 0 0 0 0 + 7 8 1 0 0 0 0 + 8 9 1 0 0 0 0 + 9 10 2 0 0 0 0 + 10 11 1 0 0 0 0 + 11 7 2 0 0 0 0 +M END +> <AminoAcid> +Histidine + +> <ThreeLetterCode> +His + +> <OneLetterCode> +H + +> <MolecularWeight> +155.15456 + +> <MolecularFormula> +C6H9N3O2 + +> <DNACodons> +CAT, CAC + +> <RNACodons> +CAC, CAU + +> <LinearStructure> +N*H--CH==N--CH==C*--CH2--CH(NH2)--COOH + +> <LinearStructureAtpH7_4> +N*H--CH==NH+--CH==C*--CH2--CH(NH3+)--COO- + +$$$$ +Ile + MayaChem07151112042D + + 9 8 0 0 0 0 0 0 0 0999 V2000 + 2.4249 2.0999 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + 3.6373 1.3999 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + 4.8497 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0622 1.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8497 3.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6373 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 1.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4249 3.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 2 1 0 0 0 0 + 4 3 1 0 0 0 0 + 3 5 2 0 0 0 0 + 2 6 1 0 0 0 0 + 7 1 1 0 0 0 0 + 8 7 1 0 0 0 0 + 1 9 1 0 0 0 0 +M END +> <AminoAcid> +Isoleucine + +> <ThreeLetterCode> +Ile + +> <OneLetterCode> +I + +> <MolecularWeight> +131.17292 + +> <MolecularFormula> +C6H13NO2 + +> <DNACodons> +ATT, ATC, ATA + +> <RNACodons> +AUA, AUC, AUU + +> <LinearStructure> +CH3--CH2--CH(CH3)--CH(NH2)--COOH + +> <LinearStructureAtpH7_4> +CH3--CH2--CH(CH3)--CH(NH3+)--COO- + +$$$$ +Leu + MayaChem07151112042D + + 9 8 0 0 0 0 0 0 0 0999 V2000 + 2.4249 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6373 1.3999 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + 4.8497 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0622 1.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8497 3.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6373 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 1.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 2 1 0 0 0 0 + 4 3 1 0 0 0 0 + 3 5 2 0 0 0 0 + 2 6 1 0 0 0 0 + 7 1 1 0 0 0 0 + 8 7 1 0 0 0 0 + 7 9 1 0 0 0 0 +M END +> <AminoAcid> +Leucine + +> <ThreeLetterCode> +Leu + +> <OneLetterCode> +L + +> <MolecularWeight> +131.17292 + +> <MolecularFormula> +C6H13NO2 + +> <DNACodons> +CTT, CTC, CTA, CTG, TTA, TTG + +> <RNACodons> +UUA, UUG, CUA, CUC, CUG, CUU + +> <LinearStructure> +(CH3)2--CH--CH2--CH(NH2)--COOH + +> <LinearStructureAtpH7_4> +(CH3)2--CH--CH2--CH(NH3+)--COO- + +$$$$ +Lys + MayaChem07151112042D + + 10 9 0 0 0 0 0 0 0 0999 V2000 + 4.8497 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0622 1.3999 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + 7.2746 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4870 1.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2746 3.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0622 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6373 1.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4249 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 1.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 2.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 2 1 0 0 0 0 + 4 3 1 0 0 0 0 + 3 5 2 0 0 0 0 + 2 6 1 0 0 0 0 + 7 1 1 0 0 0 0 + 8 7 1 0 0 0 0 + 9 8 1 0 0 0 0 + 10 9 1 0 0 0 0 +M END +> <AminoAcid> +Lysine + +> <ThreeLetterCode> +Lys + +> <OneLetterCode> +K + +> <MolecularWeight> +146.18756 + +> <MolecularFormula> +C6H14N2O2 + +> <DNACodons> +AAA, AAG + +> <RNACodons> +AAA, AAG + +> <LinearStructure> +H2N--CH2--CH2--CH2--CH2--CH(NH2)--COOH + +> <LinearStructureAtpH7_4> +H3N+--CH2--CH2--CH2--CH2--CH(NH3+)--COO- + +$$$$ +Met + MayaChem07151112042D + + 9 8 0 0 0 0 0 0 0 0999 V2000 + 3.6373 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8497 1.3999 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + 6.0622 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2746 1.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0622 3.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8497 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4249 1.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 2.0999 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 1.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 2 1 0 0 0 0 + 4 3 1 0 0 0 0 + 3 5 2 0 0 0 0 + 2 6 1 0 0 0 0 + 7 1 1 0 0 0 0 + 8 7 1 0 0 0 0 + 9 8 1 0 0 0 0 +M END +> <AminoAcid> +Methionine + +> <ThreeLetterCode> +Met + +> <OneLetterCode> +M + +> <MolecularWeight> +149.21134 + +> <MolecularFormula> +C5H11NO2S + +> <DNACodons> +ATG (or Start) + +> <RNACodons> +AUG (or Start) + +> <LinearStructure> +CH3--S--CH2--CH2--CH(NH2)--COOH + +> <LinearStructureAtpH7_4> +CH3--S--CH2--CH2--CH(NH3+)--COO- + +$$$$ +Phe + MayaChem07151112042D + + 12 12 0 0 0 0 0 0 0 0999 V2000 + 3.6372 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8496 2.0999 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + 6.0621 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2745 2.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0621 4.1998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8496 0.7001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 2 1 0 0 0 0 + 4 3 1 0 0 0 0 + 3 5 2 0 0 0 0 + 2 6 1 0 0 0 0 + 1 7 1 0 0 0 0 + 7 8 2 0 0 0 0 + 8 9 1 0 0 0 0 + 9 10 2 0 0 0 0 + 10 11 1 0 0 0 0 + 11 12 2 0 0 0 0 + 12 7 1 0 0 0 0 +M END +> <AminoAcid> +Phenylalanine + +> <ThreeLetterCode> +Phe + +> <OneLetterCode> +F + +> <MolecularWeight> +165.18914 + +> <MolecularFormula> +C9H11NO2 + +> <DNACodons> +TTT, TTC + +> <RNACodons> +UUC, UUU + +> <LinearStructure> +Ph--CH2--CH(NH2)--COOH + +> <LinearStructureAtpH7_4> +Ph--CH2--CH(NH3+)--COO- + +$$$$ +Pro + MayaChem07151112042D + + 8 8 0 0 0 0 0 0 0 0999 V2000 + 2.2157 1.6834 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + 3.4282 2.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.6406 1.6834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4282 3.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.9368 2.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.7000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0694 0.2911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 2 1 0 0 0 0 + 2 4 2 0 0 0 0 + 1 5 1 0 0 0 0 + 5 6 1 0 0 0 0 + 6 7 1 0 0 0 0 + 7 8 1 0 0 0 0 + 8 1 1 0 0 0 0 +M END +> <AminoAcid> +Proline + +> <ThreeLetterCode> +Pro + +> <OneLetterCode> +P + +> <MolecularWeight> +115.13046 + +> <MolecularFormula> +C5H9NO2 + +> <DNACodons> +CCT, CCC, CCA, CCG + +> <RNACodons> +CCA, CCC, CCG, CCU + +> <LinearStructure> +N*H--CH2--CH2--CH2--C*H--COOH + +> <LinearStructureAtpH7_4> +N*H2+--CH2--CH2--CH2--C*H--COO- + +$$$$ +Ser + MayaChem07151112042D + + 7 6 0 0 0 0 0 0 0 0999 V2000 + 1.2123 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4248 1.3999 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + 3.6372 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8496 1.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6372 3.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4248 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 1.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 2 1 0 0 0 0 + 4 3 1 0 0 0 0 + 3 5 2 0 0 0 0 + 2 6 1 0 0 0 0 + 1 7 1 0 0 0 0 +M END +> <AminoAcid> +Serine + +> <ThreeLetterCode> +Ser + +> <OneLetterCode> +S + +> <MolecularWeight> +105.09258 + +> <MolecularFormula> +C3H7NO3 + +> <DNACodons> +TCT, TCC, TCA, TCG, AGT, AGC + +> <RNACodons> +AGC, AGU, UCA, UCC, UCG, UCU + +> <LinearStructure> +HO--CH2--CH(NH2)--COOH + +> <LinearStructureAtpH7_4> +HO--CH2--CH(NH3+)--COO- + +$$$$ +Thr + MayaChem07151112042D + + 8 7 0 0 0 0 0 0 0 0999 V2000 + 1.2124 2.1001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + 2.4250 1.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + 3.6375 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8500 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6375 3.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 1.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 3.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 2 1 0 0 0 0 + 4 3 1 0 0 0 0 + 3 5 2 0 0 0 0 + 2 6 1 0 0 0 0 + 1 7 1 0 0 0 0 + 1 8 1 0 0 0 0 +M END +> <AminoAcid> +Threonine + +> <ThreeLetterCode> +Thr + +> <OneLetterCode> +T + +> <MolecularWeight> +119.11916 + +> <MolecularFormula> +C4H9NO3 + +> <DNACodons> +ACT, ACC, ACA, ACG + +> <RNACodons> +ACA, ACC, ACG, ACU + +> <LinearStructure> +CH3--CH(OH)--CH(NH2)--COOH + +> <LinearStructureAtpH7_4> +CH3--CH(OH)--CH(NH3+)--COO- + +$$$$ +Trp + MayaChem07151112042D + + 15 16 0 0 0 0 0 0 0 0999 V2000 + 3.4281 4.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.6405 4.0552 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + 5.8530 4.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0654 4.0552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 5.8530 6.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.6405 2.6553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2.2157 4.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.9368 4.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 3.5843 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 0.7000 2.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0694 2.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.2674 1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2042 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5736 0.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0062 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 2 1 0 0 0 0 + 4 3 1 0 0 0 0 + 3 5 2 0 0 0 0 + 2 6 1 0 0 0 0 + 1 7 1 0 0 0 0 + 7 8 2 0 0 0 0 + 8 9 1 0 0 0 0 + 9 10 1 0 0 0 0 + 10 11 2 0 0 0 0 + 11 7 1 0 0 0 0 + 10 12 1 0 0 0 0 + 12 13 2 0 0 0 0 + 13 14 1 0 0 0 0 + 14 15 2 0 0 0 0 + 15 11 1 0 0 0 0 +M END +> <AminoAcid> +Tryptophan + +> <ThreeLetterCode> +Trp + +> <OneLetterCode> +W + +> <MolecularWeight> +204.22518 + +> <MolecularFormula> +C11H12N2O2 + +> <DNACodons> +TGG + +> <RNACodons> +UGG + +> <LinearStructure> +Ph*--NH--CH=C*--CH2--CH(NH2)--COOH + +> <LinearStructureAtpH7_4> +Ph*--NH--CH==C*--CH2--CH(NH3+)--COO- + +$$$$ +Tyr + MayaChem07151112042D + + 13 13 0 0 0 0 0 0 0 0999 V2000 + 4.8495 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0620 2.0999 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + 7.2744 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4869 2.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2744 4.1998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0620 0.7001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6372 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4248 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2123 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2123 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4248 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6372 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 2 1 0 0 0 0 + 4 3 1 0 0 0 0 + 3 5 2 0 0 0 0 + 2 6 1 0 0 0 0 + 1 7 1 0 0 0 0 + 7 8 2 0 0 0 0 + 8 9 1 0 0 0 0 + 9 10 2 0 0 0 0 + 10 11 1 0 0 0 0 + 11 12 2 0 0 0 0 + 12 7 1 0 0 0 0 + 10 13 1 0 0 0 0 +M END +> <AminoAcid> +Tyrosine + +> <ThreeLetterCode> +Tyr + +> <OneLetterCode> +Y + +> <MolecularWeight> +181.18854 + +> <MolecularFormula> +C9H11NO3 + +> <DNACodons> +TAT, TAC + +> <RNACodons> +UAC, UAU + +> <LinearStructure> +HO--Ph--CH2--CH(NH2)--COOH + +> <LinearStructureAtpH7_4> +HO--Ph--CH2--CH(NH3+)--COO- + +$$$$ +Val + MayaChem07151112042D + + 8 7 0 0 0 0 0 0 0 0999 V2000 + 1.2124 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4250 1.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + 3.6375 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8500 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6375 3.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 1.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2124 3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 2 1 0 0 0 0 + 4 3 1 0 0 0 0 + 3 5 2 0 0 0 0 + 2 6 1 0 0 0 0 + 1 7 1 0 0 0 0 + 1 8 1 0 0 0 0 +M END +> <AminoAcid> +Valine + +> <ThreeLetterCode> +Val + +> <OneLetterCode> +V + +> <MolecularWeight> +117.14634 + +> <MolecularFormula> +C5H11NO2 + +> <DNACodons> +GTT, GTC, GTA, GTG + +> <RNACodons> +GUA, GUC, GUG, GUU + +> <LinearStructure> +(CH3)2--CH--CH(NH2)--COOH + +> <LinearStructureAtpH7_4> +(CH3)2--CH--CH(NH3+)--COO- + +$$$$