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