<inSilicoDefinitions>
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<oneElement symbol="Nd" name="Neodymium" atomicNumber="142">
<mass monoisotopic="141.907731" average="144.2423496327"/>
<isotopes>
<oneIsotope plus="0" mass="141.907731" abundance="27.13"/>
<oneIsotope plus="1" mass="142.909823" abundance="12.18"/>
<oneIsotope plus="2" mass="143.910096" abundance="23.80"/>
<oneIsotope plus="3" mass="144.912582" abundance="8.30"/>
<oneIsotope plus="4" mass="145.913126" abundance="17.19"/>
<oneIsotope plus="6" mass="147.916901" abundance="5.76"/>
<oneIsotope plus="8" mass="149.920900" abundance="5.64"/>
</isotopes>
</oneElement>
<oneElement symbol="Sm" name="Samarium" atomicNumber="144">
<mass monoisotopic="143.912009" average="150.360250402"/>
<isotopes>
<oneIsotope plus="0" mass="143.912009" abundance="3.10"/>
<oneIsotope plus="3" mass="146.914907" abundance="15.00"/>
<oneIsotope plus="4" mass="147.914832" abundance="11.30"/>
<oneIsotope plus="5" mass="148.917193" abundance="13.80"/>
<oneIsotope plus="6" mass="149.917285" abundance="7.40"/>
<oneIsotope plus="8" mass="151.919741" abundance="26.70"/>
<oneIsotope plus="10" mass="153.922218" abundance="22.70"/>
</isotopes>
</oneElement>
<oneElement symbol="Eu" name="Europium" atomicNumber="151">
<mass monoisotopic="150.919860" average="151.964581926"/>
<isotopes>
<oneIsotope plus="0" mass="150.919860" abundance="47.80"/>
<oneIsotope plus="2" mass="152.921243" abundance="52.20"/>
</isotopes>
</oneElement>
<oneElement symbol="Gd" name="Gadolinium" atomicNumber="152">
<mass monoisotopic="151.919803" average="157.2373293483"/>
<isotopes>
<oneIsotope plus="0" mass="151.919803" abundance="0.200"/>
<oneIsotope plus="2" mass="153.920876" abundance="2.18"/>
<oneIsotope plus="3" mass="154.822629" abundance="14.80"/>
<oneIsotope plus="4" mass="155.922130" abundance="20.47"/>
<oneIsotope plus="5" mass="156.923967" abundance="15.65"/>
<oneIsotope plus="6" mass="157.924111" abundance="24.84"/>
<oneIsotope plus="8" mass="159.927061" abundance="21.86"/>
</isotopes>
</oneElement>
<oneElement symbol="Tb" name="Terbium" atomicNumber="159">
<mass monoisotopic="158.925350" average="158.92535"/>
<isotopes>
<oneIsotope plus="0" mass="158.925350" abundance="100.00"/>
</isotopes>
</oneElement>
<oneElement symbol="Dy" name="Dysprosium" atomicNumber="156">
<mass monoisotopic="155.924287" average="162.4975405994"/>
<isotopes>
<oneIsotope plus="0" mass="155.924287" abundance="0.060"/>
<oneIsotope plus="2" mass="157.924412" abundance="0.10"/>
<oneIsotope plus="4" mass="159.925203" abundance="2.34"/>
<oneIsotope plus="5" mass="160.926939" abundance="18.90"/>
<oneIsotope plus="6" mass="161.926805" abundance="25.50"/>
<oneIsotope plus="7" mass="162.928737" abundance="24.90"/>
<oneIsotope plus="8" mass="163.929183" abundance="28.20"/>
</isotopes>
</oneElement>
<oneElement symbol="Ho" name="Holmium" atomicNumber="165">
<mass monoisotopic="164.930332" average="164.930332"/>
<isotopes>
<oneIsotope plus="0" mass="164.930332" abundance="100.00"/>
</isotopes>
</oneElement>
<oneElement symbol="Er" name="Erbium" atomicNumber="162">
<mass monoisotopic="161.928787" average="167.2557156464"/>
<isotopes>
<oneIsotope plus="0" mass="161.928787" abundance="0.14"/>
<oneIsotope plus="2" mass="163.929211" abundance="1.61"/>
<oneIsotope plus="4" mass="165.930305" abundance="33.60"/>
<oneIsotope plus="5" mass="166.932061" abundance="22.95"/>
<oneIsotope plus="6" mass="167.932383" abundance="26.80"/>
<oneIsotope plus="8" mass="169.935476" abundance="14.90"/>
</isotopes>
</oneElement>
<oneElement symbol="Tm" name="Thulium" atomicNumber="169">
<mass monoisotopic="168.934225" average="168.934225"/>
<isotopes>
<oneIsotope plus="0" mass="168.934225" abundance="100.00"/>
</isotopes>
</oneElement>
<oneElement symbol="Yb" name="Ytterbium" atomicNumber="168">
<mass monoisotopic="167.933908" average="173.0342012408"/>
<isotopes>
<oneIsotope plus="0" mass="167.933908" abundance="0.13"/>
<oneIsotope plus="2" mass="169.934774" abundance="3.05"/>
<oneIsotope plus="3" mass="170.936338" abundance="14.30"/>
<oneIsotope plus="4" mass="171.936393" abundance="21.90"/>
<oneIsotope plus="5" mass="172.938222" abundance="16.12"/>
<oneIsotope plus="6" mass="173.938873" abundance="31.80"/>
<oneIsotope plus="8" mass="175.942576" abundance="12.70"/>
</isotopes>
</oneElement>
<oneElement symbol="Lu" name="Lutetium" atomicNumber="175">
<mass monoisotopic="174.940785" average="174.966834634"/>
<isotopes>
<oneIsotope plus="0" mass="174.940785" abundance="97.40"/>
<oneIsotope plus="1" mass="175.942694" abundance="2.60"/>
</isotopes>
</oneElement>
<oneElement symbol="Hf" name="Hafnium" atomicNumber="174">
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<isotopes>
<oneIsotope plus="0" mass="173.940065" abundance="0.16"/>
<oneIsotope plus="2" mass="175.941420" abundance="5.20"/>
<oneIsotope plus="3" mass="176.943233" abundance="18.60"/>
<oneIsotope plus="4" mass="177.943710" abundance="27.10"/>
<oneIsotope plus="5" mass="178.945827" abundance="13.74"/>
<oneIsotope plus="6" mass="179.946561" abundance="35.20"/>
</isotopes>
</oneElement>
<oneElement symbol="Ta" name="Tantalum" atomicNumber="180">
<mass monoisotopic="179.947489" average="180.947893937"/>
<isotopes>
<oneIsotope plus="0" mass="179.947489" abundance="0.012"/>
<oneIsotope plus="1" mass="180.948014" abundance="99.988"/>
</isotopes>
</oneElement>
<oneElement symbol="W" name="Tungsten" atomicNumber="180">
<mass monoisotopic="179.946727" average="183.8489080622"/>
<isotopes>
<oneIsotope plus="0" mass="179.946727" abundance="0.13"/>
<oneIsotope plus="2" mass="181.948225" abundance="26.30"/>
<oneIsotope plus="3" mass="182.950245" abundance="14.30"/>
<oneIsotope plus="4" mass="183.950953" abundance="30.67"/>
<oneIsotope plus="6" mass="185.954377" abundance="28.60"/>
</isotopes>
</oneElement>
<oneElement symbol="Re" name="Rhenium" atomicNumber="185">
<mass monoisotopic="184.952977" average="186.206722288"/>
<isotopes>
<oneIsotope plus="0" mass="184.952977" abundance="37.40"/>
<oneIsotope plus="2" mass="186.955765" abundance="62.60"/>
</isotopes>
</oneElement>
<oneElement symbol="Os" name="Osmium" atomicNumber="184">
<mass monoisotopic="183.952514" average="190.2397865124"/>
<isotopes>
<oneIsotope plus="0" mass="183.952514" abundance="0.02"/>
<oneIsotope plus="2" mass="185.953852" abundance="1.58"/>
<oneIsotope plus="3" mass="186.955762" abundance="1.60"/>
<oneIsotope plus="4" mass="187.955850" abundance="13.30"/>
<oneIsotope plus="5" mass="188.958156" abundance="16.10"/>
<oneIsotope plus="6" mass="189.958455" abundance="26.40"/>
<oneIsotope plus="8" mass="191.961487" abundance="41.00"/>
</isotopes>
</oneElement>
<oneElement symbol="Ir" name="Iridium" atomicNumber="191">
<mass monoisotopic="190.960603" average="192.216069553"/>
<isotopes>
<oneIsotope plus="0" mass="190.960603" abundance="37.30"/>
<oneIsotope plus="2" mass="192.962942" abundance="62.70"/>
</isotopes>
</oneElement>
<oneElement symbol="Pt" name="Platinum" atomicNumber="190">
<mass monoisotopic="189.959937" average="195.0801258808"/>
<isotopes>
<oneIsotope plus="0" mass="189.959937" abundance="0.010"/>
<oneIsotope plus="2" mass="191.961049" abundance="0.79"/>
<oneIsotope plus="4" mass="193.962679" abundance="32.90"/>
<oneIsotope plus="5" mass="194.964785" abundance="33.80"/>
<oneIsotope plus="6" mass="195.964947" abundance="25.30"/>
<oneIsotope plus="8" mass="197.967879" abundance="7.20"/>
</isotopes>
</oneElement>
<oneElement symbol="Au" name="Gold" atomicNumber="197">
<mass monoisotopic="196.966560" average="196.96656"/>
<isotopes>
<oneIsotope plus="0" mass="196.966560" abundance="100.00"/>
</isotopes>
</oneElement>
<oneElement symbol="Hg" name="Mercury" atomicNumber="196">
<mass monoisotopic="195.965812" average="200.588445976"/>
<isotopes>
<oneIsotope plus="0" mass="195.965812" abundance="0.15"/>
<oneIsotope plus="2" mass="197.966760" abundance="10.10"/>
<oneIsotope plus="3" mass="198.968269" abundance="17.00"/>
<oneIsotope plus="4" mass="199.968316" abundance="23.10"/>
<oneIsotope plus="5" mass="200.970293" abundance="13.20"/>
<oneIsotope plus="6" mass="201.970632" abundance="29.65"/>
<oneIsotope plus="8" mass="203.973481" abundance="6.80"/>
</isotopes>
</oneElement>
<oneElement symbol="Tl" name="Thallium" atomicNumber="203">
<mass monoisotopic="202.972336" average="204.3833977552"/>
<isotopes>
<oneIsotope plus="0" mass="202.972336" abundance="29.52"/>
<oneIsotope plus="2" mass="204.974410" abundance="70.48"/>
</isotopes>
</oneElement>
<oneElement symbol="Pb" name="Lead" atomicNumber="204">
<mass monoisotopic="203.973037" average="207.216896642"/>
<isotopes>
<oneIsotope plus="0" mass="203.973037" abundance="1.40"/>
<oneIsotope plus="2" mass="205.974455" abundance="24.10"/>
<oneIsotope plus="3" mass="206.975885" abundance="22.10"/>
<oneIsotope plus="4" mass="207.976641" abundance="52.40"/>
</isotopes>
</oneElement>
<oneElement symbol="Bi" name="Bismuth" atomicNumber="209">
<mass monoisotopic="208.980388" average="208.980388"/>
<isotopes>
<oneIsotope plus="0" mass="208.980388" abundance="100.00"/>
</isotopes>
</oneElement>
<oneElement symbol="Th" name="Thorium" atomicNumber="232">
<mass monoisotopic="232.038054" average="232.038054"/>
<isotopes>
<oneIsotope plus="0" mass="232.038054" abundance="100.00"/>
</isotopes>
</oneElement>
<oneElement symbol="U" name="Uranium" atomicNumber="234">
<mass monoisotopic="234.040947" average="238.02889601046"/>
<isotopes>
<oneIsotope plus="0" mass="234.040947" abundance="0.006"/>
<oneIsotope plus="1" mass="235.043925" abundance="0.72"/>
<oneIsotope plus="4" mass="238.050786" abundance="99.274"/>
</isotopes>
</oneElement>
<oneElement symbol="H+" name="Hydrogen ion" atomicNumber="1">
<mass monoisotopic="1.00728" average="1.00739"/>
<isotopes>
<oneIsotope plus="0" mass="1.00728" abundance="100.00"/>
</isotopes>
</oneElement>
</elements>
<molecules>
<oneMolecule symbol="H2O" name="Water">
<formula>H2O1</formula>
<mass monoisotopic="18.01056" average="18.01524"/>
</oneMolecule>
<oneMolecule symbol="NH3" name="Amine">
<formula>N1H3</formula>
<mass monoisotopic="17.03712" average="17.03052"/>
</oneMolecule>
</molecules>
<codons>
<oneCodon name="Adenine" code1="A"/>
<oneCodon name="Cytosine" code1="C"/>
<oneCodon name="Guanine" code1="G"/>
<oneCodon name="Uracil" code1="U"/>
</codons>
<aminoAcids>
<oneAminoAcid name="Alanine" code3="Ala" code1="A">
<formula>C3H5ON</formula>
<mRNACodons>
<oneMRNACodon>GCA</oneMRNACodon>
<oneMRNACodon>GCC</oneMRNACodon>
<oneMRNACodon>GCG</oneMRNACodon>
<oneMRNACodon>GCU</oneMRNACodon>
</mRNACodons>
<mass monoisotopic="71.03711" average="71.0788"/>
<PK internal="0.0" nterm="7.59" cterm="3.55" sgnres="0.0"/>
</oneAminoAcid>
<oneAminoAcid name="Arginine" code3="Arg" code1="R">
<formula>C6H12ON4</formula>
<mRNACodons>
<oneMRNACodon>AGA</oneMRNACodon>
<oneMRNACodon>AGG</oneMRNACodon>
<oneMRNACodon>CGA</oneMRNACodon>
<oneMRNACodon>CGC</oneMRNACodon>
<oneMRNACodon>CGG</oneMRNACodon>
<oneMRNACodon>CGU</oneMRNACodon>
</mRNACodons>
<mass monoisotopic="156.10111" average="156.1875"/>
<PK internal="12.0" nterm="7.50" cterm="3.55" sgnres="+1.0"/>
</oneAminoAcid>
<oneAminoAcid name="Asparagine" code3="Asn" code1="N">
<formula>C4H6O2N2</formula>
<mRNACodons>
<oneMRNACodon>AAC</oneMRNACodon>
<oneMRNACodon>AAU</oneMRNACodon>
</mRNACodons>
<mass monoisotopic="114.04293" average="114.1038"/>
<PK internal="0.0" nterm="7.50" cterm="3.55" sgnres="0.0"/>
</oneAminoAcid>
<oneAminoAcid name="Aspartic_acid" code3="Asp" code1="D">
<formula>C4H5O3N</formula>
<mRNACodons>
<oneMRNACodon>GAC</oneMRNACodon>
<oneMRNACodon>GAU</oneMRNACodon>
</mRNACodons>
<mass monoisotopic="115.02694" average="115.0886"/>
<PK internal="4.05" nterm="7.50" cterm="4.55" sgnres="-1.0"/>
</oneAminoAcid>
<oneAminoAcid name="Cysteine" code3="Cys" code1="C">
<formula>C3H5ONS</formula>
<mRNACodons>
<oneMRNACodon>UGC</oneMRNACodon>
<oneMRNACodon>UGU</oneMRNACodon>
</mRNACodons>
<mass monoisotopic="103.00919" average="103.1388"/>
<PK internal="9.0" nterm="7.50" cterm="3.55" sgnres="-1.0"/>
</oneAminoAcid>
<oneAminoAcid name="Glutamic_acid" code3="Glu" code1="E">
<formula>C5H7O3N</formula>
<mRNACodons>
<oneMRNACodon>GAA</oneMRNACodon>
<oneMRNACodon>GAG</oneMRNACodon>
</mRNACodons>
<mass monoisotopic="129.04259" average="129.1155"/>
<PK internal="4.45" nterm="7.70" cterm="4.75" sgnres="-1.0"/>
</oneAminoAcid>
<oneAminoAcid name="Glutamine" code3="Gln" code1="Q">
<formula>C5H8O2N2</formula>
<mRNACodons>
<oneMRNACodon>CAA</oneMRNACodon>
<oneMRNACodon>CAG</oneMRNACodon>
</mRNACodons>
<mass monoisotopic="128.05858" average="128.1307"/>
<PK internal="0.0" nterm="7.50" cterm="3.55" sgnres="0.0"/>
</oneAminoAcid>
<oneAminoAcid name="Glycine" code3="Gly" code1="G">
<formula>C2H3ON</formula>
<mRNACodons>
<oneMRNACodon>GGA</oneMRNACodon>
<oneMRNACodon>GGC</oneMRNACodon>
<oneMRNACodon>GGG</oneMRNACodon>
<oneMRNACodon>GGU</oneMRNACodon>
</mRNACodons>
<mass monoisotopic="57.02146" average="57.0519"/>
<PK internal="0.0" nterm="7.50" cterm="3.55" sgnres="0.0"/>
</oneAminoAcid>
<oneAminoAcid name="Histidine" code3="His" code1="H">
<formula>C6H7ON3</formula>
<mRNACodons>
<oneMRNACodon>CAC</oneMRNACodon>
<oneMRNACodon>CAU</oneMRNACodon>
</mRNACodons>
<mass monoisotopic="137.05891" average="137.1411"/>
<PK internal="5.98" nterm="7.50" cterm="3.55" sgnres="+1.0"/>
</oneAminoAcid>
<oneAminoAcid name="Isoleucine" code3="Ile" code1="I">
<formula>C6H11ON</formula>
<mRNACodons>
<oneMRNACodon>AUA</oneMRNACodon>
<oneMRNACodon>AUC</oneMRNACodon>
<oneMRNACodon>AUU</oneMRNACodon>
</mRNACodons>
<mass monoisotopic="113.08406" average="113.1594"/>
<PK internal="0.0" nterm="7.50" cterm="3.55" sgnres="0.0"/>
</oneAminoAcid>
<oneAminoAcid name="Leucine" code3="Leu" code1="L">
<formula>C6H11ON</formula>
<mRNACodons>
<oneMRNACodon>CUA</oneMRNACodon>
<oneMRNACodon>CUC</oneMRNACodon>
<oneMRNACodon>CUG</oneMRNACodon>
<oneMRNACodon>CUU</oneMRNACodon>
<oneMRNACodon>UUA</oneMRNACodon>
<oneMRNACodon>UUG</oneMRNACodon>
</mRNACodons>
<mass monoisotopic="113.08406" average="113.1594"/>
<PK internal="0.0" nterm="7.50" cterm="3.55" sgnres="0.0"/>
</oneAminoAcid>
<oneAminoAcid name="Lysine" code3="Lys" code1="K">
<formula>C6H12ON2</formula>
<mRNACodons>
<oneMRNACodon>AAA</oneMRNACodon>
<oneMRNACodon>AAG</oneMRNACodon>
</mRNACodons>
<mass monoisotopic="128.09496" average="128.1741"/>
<PK internal="10.0" nterm="7.50" cterm="3.55" sgnres="+1.0"/>
</oneAminoAcid>
<oneAminoAcid name="Methionine" code3="Met" code1="M">
<formula>C5H9ONS</formula>
<mRNACodons>
<oneMRNACodon>AUG</oneMRNACodon>
</mRNACodons>
<mass monoisotopic="131.04049" average="131.1926"/>
<PK internal="0.0" nterm="7.00" cterm="3.55" sgnres="0.0"/>
</oneAminoAcid>
<oneAminoAcid name="Phenylalanine" code3="Phe" code1="F">
<formula>C9H9ON</formula>
<mRNACodons>
<oneMRNACodon>UUC</oneMRNACodon>
<oneMRNACodon>UUU</oneMRNACodon>
</mRNACodons>
<mass monoisotopic="147.06841" average="147.1766"/>
<PK internal="0.0" nterm="7.50" cterm="3.55" sgnres="0.0"/>
</oneAminoAcid>
<oneAminoAcid name="Proline" code3="Pro" code1="P">
<formula>C5H7ON</formula>
<mRNACodons>
<oneMRNACodon>CCA</oneMRNACodon>
<oneMRNACodon>CCC</oneMRNACodon>
<oneMRNACodon>CCG</oneMRNACodon>
<oneMRNACodon>CCU</oneMRNACodon>
</mRNACodons>
<mass monoisotopic="97.05276" average="97.1167"/>
<PK internal="0.0" nterm="8.36" cterm="3.55" sgnres="0.0"/>
</oneAminoAcid>
<oneAminoAcid name="Serine" code3="Ser" code1="S">
<formula>C3H5O2N</formula>
<mRNACodons>
<oneMRNACodon>AGC</oneMRNACodon>
<oneMRNACodon>AGU</oneMRNACodon>
<oneMRNACodon>UCA</oneMRNACodon>
<oneMRNACodon>UCC</oneMRNACodon>
<oneMRNACodon>UCG</oneMRNACodon>
<oneMRNACodon>UCU</oneMRNACodon>
</mRNACodons>
<mass monoisotopic="87.03203" average="87.0782"/>
<PK internal="0.0" nterm="6.93" cterm="3.55" sgnres="0.0"/>
</oneAminoAcid>
<oneAminoAcid name="Threonine" code3="Thr" code1="T">
<formula>C4H7O2N</formula>
<mRNACodons>
<oneMRNACodon>ACA</oneMRNACodon>
<oneMRNACodon>ACC</oneMRNACodon>
<oneMRNACodon>ACG</oneMRNACodon>
<oneMRNACodon>ACU</oneMRNACodon>
</mRNACodons>
<mass monoisotopic="101.04768" average="101.1051"/>
<PK internal="0.0" nterm="6.82" cterm="3.55" sgnres="0.0"/>
</oneAminoAcid>
<oneAminoAcid name="Tryptophan" code3="Trp" code1="W">
<formula>C11H10ON2</formula>
<mRNACodons>
<oneMRNACodon>UGG</oneMRNACodon>
</mRNACodons>
<mass monoisotopic="186.07931" average="186.2132"/>
<PK internal="0.0" nterm="7.50" cterm="3.55" sgnres="0.0"/>
</oneAminoAcid>
<oneAminoAcid name="Tyrosine" code3="Tyr" code1="Y">
<formula>C9H9O2N</formula>
<mRNACodons>
<oneMRNACodon>UAC</oneMRNACodon>
<oneMRNACodon>UAU</oneMRNACodon>
</mRNACodons>
<mass monoisotopic="163.06333" average="163.1760"/>
<PK internal="10.0" nterm="7.50" cterm="3.55" sgnres="-1.0"/>
</oneAminoAcid>
<oneAminoAcid name="Valine" code3="Val" code1="V">
<formula>C5H9ON</formula>
<mRNACodons>
<oneMRNACodon>GUA</oneMRNACodon>
<oneMRNACodon>GUC</oneMRNACodon>
<oneMRNACodon>GUG</oneMRNACodon>
<oneMRNACodon>GUU</oneMRNACodon>
</mRNACodons>
<mass monoisotopic="99.06841" average="99.1326"/>
<PK internal="0.0" nterm="7.44" cterm="3.55" sgnres="0.0"/>
</oneAminoAcid>
</aminoAcids>
<cleavEnzymes>
<oneCleavEnzyme name="Trypsin/P">
<siteRegexp><![CDATA[(?<=[KR])|(?=[P])]]></siteRegexp>
<terminus>C</terminus>
<CTermGain>OH</CTermGain>
<NTermGain>H</NTermGain>
</oneCleavEnzyme>
<oneCleavEnzyme name="Trypsin">
<site>
<cleavSite>KR</cleavSite>
<adjacentSite>^P</adjacentSite>
<terminus>C</terminus>
</site>
<CTermGain>OH</CTermGain>
<NTermGain>H</NTermGain>
</oneCleavEnzyme>
<oneCleavEnzyme name="Trypsin_regexp">
<siteRegexp><![CDATA[(?<=[KR])(?=[^P])]]></siteRegexp>
<terminus>C</terminus>
<CTermGain>OH</CTermGain>
<NTermGain>H</NTermGain>
</oneCleavEnzyme>
<oneCleavEnzyme name="Trypsin_O18atom">
<site>
<cleavSite>KR</cleavSite>
<adjacentSite>^P</adjacentSite>
<terminus>C</terminus>
</site>
<CTermGain>OHH+4</CTermGain>
<NTermGain>H</NTermGain>
</oneCleavEnzyme>
<oneCleavEnzyme name="Trypsin_O18modif">
<site>
<cleavSite>KR</cleavSite>
<adjacentSite>^P</adjacentSite>
<terminus>C</terminus>
</site>
<CTermGain>OH</CTermGain>
<NTermGain>H</NTermGain>
<CTermModif>O18</CTermModif>
</oneCleavEnzyme>
<oneCleavEnzyme name="ChymoTrypsin (KYLW)">
<site>
<cleavSite>FYLW</cleavSite>
<adjacentSite>^P</adjacentSite>
<terminus>C</terminus>
</site>
<CTermGain>OH</CTermGain>
<NTermGain>H</NTermGain>
</oneCleavEnzyme>
<oneCleavEnzyme name="ChymoTrypsin (FYL)">
<site>
<cleavSite>FYL</cleavSite>
<adjacentSite>^P</adjacentSite>
<terminus>C</terminus>
</site>
<CTermGain>OH</CTermGain>
<NTermGain>H</NTermGain>
</oneCleavEnzyme>
<oneCleavEnzyme name="Lys C">
<site>
<cleavSite>K</cleavSite>
<adjacentSite>.</adjacentSite>
<terminus>C</terminus>
</site>
<CTermGain>OH</CTermGain>
<NTermGain>H</NTermGain>
</oneCleavEnzyme>
<oneCleavEnzyme name="Arg C">
<siteRegexp><![CDATA[(?<=[R])(?=[^P])]]></siteRegexp>
<terminus>C</terminus>
<CTermGain>OH</CTermGain>
<NTermGain>H</NTermGain>
</oneCleavEnzyme>
<oneCleavEnzyme name="Glu C (bicarbonate)">
<site>
<cleavSite>E</cleavSite>
<adjacentSite>^PE</adjacentSite>
<terminus>C</terminus>
</site>
<CTermGain>OH</CTermGain>
<NTermGain>H</NTermGain>
</oneCleavEnzyme>
<oneCleavEnzyme name="Glu C (phosphate)">
<site>
<cleavSite>DE</cleavSite>
<adjacentSite>^PE</adjacentSite>
<terminus>C</terminus>
</site>
<CTermGain>OH</CTermGain>
<NTermGain>H</NTermGain>
</oneCleavEnzyme>
<oneCleavEnzyme name="Pepsin (pH 1.3)">
<site>
<cleavSite>FL</cleavSite>
<adjacentSite>.</adjacentSite>
<terminus>C</terminus>
</site>
<CTermGain>OH</CTermGain>
<NTermGain>H</NTermGain>
</oneCleavEnzyme>
<oneCleavEnzyme name="Pepsin (pH > 2)">
<site>
<cleavSite>FLWYAEQ</cleavSite>
<adjacentSite>.</adjacentSite>
<terminus>C</terminus>
</site>
<CTermGain>OH</CTermGain>
<NTermGain>H</NTermGain>
</oneCleavEnzyme>
<oneCleavEnzyme name="Proteinase K">
<site>
<cleavSite>ACGMFSYW</cleavSite>
<adjacentSite>.</adjacentSite>
<terminus>C</terminus>
</site>
<CTermGain>OH</CTermGain>
<NTermGain>H</NTermGain>
</oneCleavEnzyme>
<oneCleavEnzyme name="DoNotCleave">
<siteRegexp><![CDATA[(?<=.)]]></siteRegexp>
<terminus>C</terminus>
<CTermGain>OH</CTermGain>
<NTermGain>H</NTermGain>
</oneCleavEnzyme>
</cleavEnzymes>
<fragTypeDescriptions>
<fragTypeDefSet readonly="1">
<series>
<oneSeries name="a">
<terminus>N</terminus>
<deltaMass monoisotopic="-27.99491" average="-28.0104"/>
<firstFragment>2</firstFragment>
<lastFragment>2</lastFragment>
<formula>O-1C-1</formula>
</oneSeries>
<oneSeries name="b">
<terminus>N</terminus>
<firstFragment>2</firstFragment>
<lastFragment>2</lastFragment>
<deltaMass monoisotopic="0" average="0"/>
<formula></formula>
</oneSeries>
<oneSeries name="c">
<terminus>N</terminus>
<firstFragment>2</firstFragment>
<lastFragment>2</lastFragment>
<deltaMass monoisotopic="17.02656" average="17.03052"/>
<formula>NH3</formula>
</oneSeries>
<oneSeries name="x">
<terminus>C</terminus>
<firstFragment>1</firstFragment>
<lastFragment>2</lastFragment>
<formula>COH-1</formula>
<deltaMass monoisotopic="43.98982" average="44.0098"/>
</oneSeries>
<oneSeries name="y">
<terminus>C</terminus>
<firstFragment>1</firstFragment>
<lastFragment>2</lastFragment>
<deltaMass monoisotopic="18.0105746" average="18.01418"/>
<formula>H</formula>
</oneSeries>
<oneSeries name="z">
<terminus>C</terminus>
<firstFragment>1</firstFragment>
<lastFragment>2</lastFragment>
<deltaMass monoisotopic="1.9912946" average="1.99108"/>
<formula>N-1H-1</formula>
</oneSeries>
</series>
<losses>
<oneLoss name="NH3">
<residues aa="NQR"/>
<deltaMass monoisotopic="17.03712" average="17.03052"/>
<formula>N-1H-3</formula>
</oneLoss>
<oneLoss name="H2O">
<residues aa="ST"/>
<deltaMass monoisotopic="18.01056" average="18.01524"/>
<formula>H-2O-1</formula>
</oneLoss>
</losses>
<fragTypes>
<oneFragType name="a" series="a" charge="1"/>
<oneFragType name="a++" series="a" charge="2"/>
<oneFragType name="a+++" series="a" charge="3"/>
<oneFragType name="a-NH3" series="a" charge="1">
<loss name="NH3" repeat="1"/>
</oneFragType>
<oneFragType name="a-NH3*" series="a" charge="1">
<loss name="NH3" repeat="-1"/>
</oneFragType>
<oneFragType name="a-H2O" series="a" charge="1">
<loss name="H2O" repeat="1"/>
</oneFragType>
<oneFragType name="a-H2O*" series="a" charge="1">
<loss name="H2O" repeat="-1"/>
</oneFragType>
<oneFragType name="a++-NH3" series="a" charge="2">
<loss name="NH3" repeat="1"/>
</oneFragType>
<oneFragType name="a++-NH3*" series="a" charge="2">
<loss name="NH3" repeat="-1"/>
</oneFragType>
<oneFragType name="a++-H2O" series="a" charge="2">
<loss name="H2O" repeat="1"/>
</oneFragType>
<oneFragType name="a++-H2O*" series="a" charge="2">
<loss name="H2O" repeat="-1"/>
</oneFragType>
<oneFragType name="b" series="b" charge="1"/>
<oneFragType name="b++" series="b" charge="2"/>
<oneFragType name="b+++" series="b" charge="3"/>
<oneFragType name="b-NH3" series="b" charge="1">
<loss name="NH3" repeat="1"/>
</oneFragType>
<oneFragType name="b-NH3*" series="b" charge="1">
<loss name="NH3" repeat="-1"/>
</oneFragType>
<oneFragType name="b-H2O" series="b" charge="1">
<loss name="H2O" repeat="1"/>
</oneFragType>
<oneFragType name="b-H2O*" series="b" charge="1">
<loss name="H2O" repeat="-1"/>
</oneFragType>
<oneFragType name="b-H2O-NH3" series="b" charge="1">
<loss name="H2O" repeat="1"/>
<loss name="NH3" repeat="1"/>
</oneFragType>
<oneFragType name="b-H2O*-NH3*" series="b" charge="1">
<loss name="H2O" repeat="-1"/>
<loss name="NH3" repeat="-1"/>
</oneFragType>
<oneFragType name="b++-NH3" series="b" charge="2">
<loss name="NH3" repeat="1"/>
</oneFragType>
<oneFragType name="b++-NH3*" series="b" charge="2">
<loss name="NH3" repeat="-1"/>
</oneFragType>
<oneFragType name="b++-H2O" series="b" charge="2">
<loss name="H2O" repeat="1"/>
</oneFragType>
<oneFragType name="b++-H2O*" series="b" charge="2">
<loss name="H2O" repeat="-1"/>
</oneFragType>
<oneFragType name="c" series="c" charge="1"/>
<oneFragType name="c-NH3" series="c" charge="1">
<loss name="NH3" repeat="1"/>
</oneFragType>
<oneFragType name="c-NH3*" series="c" charge="1">
<loss name="NH3" repeat="-1"/>
</oneFragType>
<oneFragType name="c-H2O" series="c" charge="1">
<loss name="H2O" repeat="1"/>
</oneFragType>
<oneFragType name="c-H2O*" series="c" charge="1">
<loss name="H2O" repeat="-1"/>
</oneFragType>
<oneFragType name="c++" series="c" charge="2"/>
<oneFragType name="c++-NH3" series="c" charge="2">
<loss name="NH3" repeat="1"/>
</oneFragType>
<oneFragType name="c++-NH3*" series="c" charge="2">
<loss name="NH3" repeat="-1"/>
</oneFragType>
<oneFragType name="c++-H2O" series="c" charge="2">
<loss name="H2O" repeat="1"/>
</oneFragType>
<oneFragType name="c++-H2O*" series="c" charge="2">
<loss name="H2O" repeat="-1"/>
</oneFragType>
<oneFragType name="x" series="x" charge="1"/>
<oneFragType name="x-NH3" series="x" charge="1">
<loss name="NH3" repeat="1"/>
</oneFragType>
<oneFragType name="x-NH3*" series="x" charge="1">
<loss name="NH3" repeat="-1"/>
</oneFragType>
<oneFragType name="x-H2O" series="x" charge="1">
<loss name="H2O" repeat="1"/>
</oneFragType>
<oneFragType name="x-H2O*" series="x" charge="1">
<loss name="H2O" repeat="-1"/>
</oneFragType>
<oneFragType name="x++" series="x" charge="2"/>
<oneFragType name="x++-NH3" series="x" charge="2">
<loss name="NH3" repeat="1"/>
</oneFragType>
<oneFragType name="x++-NH3*" series="x" charge="2">
<loss name="NH3" repeat="-1"/>
</oneFragType>
<oneFragType name="x++-H2O" series="x" charge="2">
<loss name="H2O" repeat="1"/>
</oneFragType>
<oneFragType name="x++-H2O*" series="x" charge="2">
<loss name="H2O" repeat="-1"/>
</oneFragType>
<oneFragType name="y" series="y" charge="1"/>
<oneFragType name="y++" series="y" charge="2"/>
<oneFragType name="y+++" series="y" charge="3"/>
<oneFragType name="y-NH3" series="y" charge="1">
<loss name="NH3" repeat="1"/>
</oneFragType>
<oneFragType name="y-NH3*" series="y" charge="1">
<loss name="NH3" repeat="-1"/>
</oneFragType>
<oneFragType name="y-H2O" series="y" charge="1">
<loss name="H2O" repeat="1"/>
</oneFragType>
<oneFragType name="y-H2O*" series="y" charge="1">
<loss name="H2O" repeat="-1"/>
</oneFragType>
<oneFragType name="y-H2O*-NH3*" series="y" charge="1">
<loss name="H2O" repeat="-1"/>
<loss name="NH3" repeat="-1"/>
</oneFragType>
<oneFragType name="y++-NH3" series="y" charge="2">
<loss name="NH3" repeat="1"/>
</oneFragType>
<oneFragType name="y++-NH3*" series="y" charge="2">
<loss name="NH3" repeat="-1"/>
</oneFragType>
<oneFragType name="y++-H2O" series="y" charge="2">
<loss name="H2O" repeat="1"/>
</oneFragType>
<oneFragType name="y++-H2O*" series="y" charge="2">
<loss name="H2O" repeat="-1"/>
</oneFragType>
<oneFragType name="z" series="z" charge="1"/>
<oneFragType name="z-NH3" series="z" charge="1">
<loss name="NH3" repeat="1"/>
</oneFragType>
<oneFragType name="z-NH3*" series="z" charge="1">
<loss name="NH3" repeat="-1"/>
</oneFragType>
<oneFragType name="z-H2O" series="z" charge="1">
<loss name="H2O" repeat="1"/>
</oneFragType>
<oneFragType name="z-H2O*" series="z" charge="1">
<loss name="H2O" repeat="-1"/>
</oneFragType>
<oneFragType name="z++" series="z" charge="2"/>
<oneFragType name="z++-NH3" series="z" charge="2">
<loss name="NH3" repeat="1"/>
</oneFragType>
<oneFragType name="z++-NH3*" series="z" charge="2">
<loss name="NH3" repeat="-1"/>
</oneFragType>
<oneFragType name="z++-H2O" series="z" charge="2">
<loss name="H2O" repeat="1"/>
</oneFragType>
<oneFragType name="z++-H2O*" series="z" charge="2">
<loss name="H2O" repeat="-1"/>
</oneFragType>
</fragTypes>
<internalFragType>
<oneInternFragType name="immo">
<residues>HFILYPV</residues>
<delta monoisotopic="-26.9871" average="-26.9871"/>
</oneInternFragType>
</internalFragType>
</fragTypeDefSet>
</fragTypeDescriptions>
<modRes>
<oneModRes type="ptm" name="ACET_nterm">
<description>Acetylation_nterm</description>
<site>
<residue>^NKHFW</residue>
<nterm/>
</site>
<residues aa="^NKHFW" nterm="yes"/>
<delta monoisotopic="42.0106" average="42.0373"/>
<sprotFT><![CDATA[(N-acetylalanine|N-acetylaspartate|N-acetylcysteine|N-acetylglutamate|N-acetylglycine|N-acetylmethionine|N-acetylproline|N-acetylserine|N-acetylthreonine|N-acetyltyrosine|N-acetylvaline).*]]></sprotFT>
</oneModRes>
<oneModRes type="ptm" name="ACET_core">
<description>Acetylation_core</description>
<site>
<residue>KR</residue>
</site>
<residues aa="KR"/>
<delta monoisotopic="42.0106" average="42.0373"/>
<sprotFT><![CDATA[(N2-acetylarginine|N6-acetyllysine).*]]></sprotFT>
</oneModRes>
<oneModRes type="ptm" name="PHOS">
<description>Phosphorylation</description>
<site>
<residue>STYHD</residue>
</site>
<residues aa="STYHD"/>
<delta monoisotopic="79.9663" average="79.9799" />
<sprotFT><![CDATA[(4-aspartylphosphate|Phosphoarginine|Phosphocysteine|Phosphohistidine|Phosphoserine|Phosphothreonine|Phosphotyrosine|Pros-phosphohistidine|Tele-phosphohistidine).*]]></sprotFT>
</oneModRes>
<oneModRes type="ptm" name="PHOS_STY">
<description>Phosphorylation</description>
<site>
<residue>STY</residue>
</site>
<residues aa="STY"/>
<delta monoisotopic="79.9663" average="79.9799" />
<sprotFT><![CDATA[(Phosphoserine|Phosphothreonine|Phosphotyrosine).*]]></sprotFT>
</oneModRes>
<oneModRes type="ptm" name="AMID">
<description>Amidation</description>
<siteRegexp cterm="yes">.(?=G)</siteRegexp>
<residues aa="." aaAfter="G" cterm="yes"/>
<delta monoisotopic="-0.9840" average="-0.9847"/>
<sprotFT><![CDATA[(Alanine amide|Arginine amide|Aspartic acid 1-amide|Asparagine amide|Cysteine amide|Glutamic acid 1-amide|Glutamine amide|Glycine amide|Histidine amide|Isoleucine amide|Leucine amide|Lysine amide|Methionine amide|Phenylalanine amide|Proline amide|Serine amide|Threonine amide|Tryptophan amide|Tyrosine amide|Valine amide).*]]></sprotFT>
</oneModRes>
<oneModRes type="ptm" name="DEAMID" description="Deamidation">
<description></description>
<site>
<residue>NQ</residue>
</site>
<residues aa="NQ"/>
<delta monoisotopic="0.9840" average="0.9847"/>
<sprotFT><![CDATA[(Deamidated asparagine|Deamidated glutamine).*]]></sprotFT>
</oneModRes>
<oneModRes type="ptm" name="DEAM_N">
<description>Deamidation_N</description>
<siteRegexp>N(?=G)</siteRegexp>
<residues aa="N" aaAfter="G"/>
<delta monoisotopic="0.9840" average="0.9847"/>
<sprotFT><![CDATA[(Deamidated asparagine).*]]></sprotFT>
</oneModRes>
<oneModRes type="ptm" name="DEAM_Q">
<description>Deamidation_Q</description>
<site>
<residue>Q</residue>
</site>
<residues aa="Q"/>
<delta monoisotopic="0.9840" average="0.9847"/>
<sprotFT><![CDATA[(Deamidated glutamine).*]]></sprotFT>
</oneModRes>
<oneModRes type="ptm" name="BIOT">
<description>Biotin</description>
<site>
<residue>K</residue>
<cterm/>
</site>
<residues aa="K" cterm="yes" prositeRule="PDOC00167"/>
<prositeRule>PDOC00167</prositeRule>
<delta monoisotopic="226.0776" average="226.2934"/>
</oneModRes>
<oneModRes type="ptm" name="BIOT_nterm">
<description>Biotin_nterm</description>
<site>
<residue>.</residue>
<nterm/>
</site>
<residues aa="." nterm="yes"/>
<delta monoisotopic="210.0827" average="210.2960"/>
</oneModRes>
<oneModRes type="ptm" name="CAM_nterm">
<description>Carbamylation_nterm</description>
<site>
<residue>.</residue>
<nterm/>
</site>
<residues aa="." nterm="yes"/>
<delta monoisotopic="43.00581" average="43.02504"/>
<sprotFT><![CDATA[CARBOXYLATION.*]]></sprotFT>
</oneModRes>
<oneModRes type="ptm" name="CAM_core">
<description>Carbamylation_core</description>
<site>
<residue>K</residue>
</site>
<residues aa="K"/>
<delta monoisotopic="43.00581" average="43.02504"/>
<sprotFT><![CDATA[CARBOXYLATION.*]]></sprotFT>
</oneModRes>
<oneModRes type="ptm" name="CARB">
<description>Carboxylation</description>
<site>
<residue>EN</residue>
</site>
<residues aa="EN"/>
<delta monoisotopic="43.9898" average="44.0098"/>
</oneModRes>
<oneModRes type="ptm" name="PYRR">
<description>Pyrrolidone_carboxylic_acid</description>
<site>
<residue>Q</residue>
<nterm/>
</site>
<residues aa="Q" nterm="yes"/>
<delta monoisotopic="-17.0266" average="-17.0306"/>
<sprotFT><![CDATA[PYRROLIDONE.*]]></sprotFT>
</oneModRes>
<oneModRes type="ptm" name="HYDR">
<description>Hydroxylation</description>
<site>
<residue>PKDNWR</residue>
</site>
<residues aa="PKDNWR"/>
<delta monoisotopic="15.9949" average="15.9994"/>
<sprotFT><![CDATA[(3-hydroxyasparagine|3-hydroxyaspartate|3-hydroxyproline|3-hydroxytryptophan|4-hydroxyarginine|4-hydroxyproline|5-hydroxylysine|Hydroxyproline).*]]></sprotFT>
</oneModRes>
<oneModRes type="ptm" name="DIHYDR">
<description>Di-hydroxylation"</description>
<site>
<residue>PKDNWR</residue>
</site>
<residues aa="PKDNWR"/>
<delta monoisotopic="31.9898" average="31.9988"/>
<sprotFT><![CDATA[(3',4'-dihydroxyphenylalanine|3,4-dihydroxyarginine|3,4-dihydroxyproline|4,5-dihydroxylysine).*]]></sprotFT>
</oneModRes>
<oneModRes type="ptm" name="GGLU">
<description>Gamma-carboxyglutamic_acid"</description>
<site>
<residue>E</residue>
</site>
<residues aa="E"/>
<delta monoisotopic="43.98983" average="44.0098"/>
<sprotFT><![CDATA[(Pyrrolidone carboxylic acid|Pyrrolidone carboxylic acid (Glu)).*]]></sprotFT>
</oneModRes>
<oneModRes type="ptm" name="METH_nterm">
<description>Methylation_nterm</description>
<site>
<residue>PA</residue>
<nterm/>
</site>
<residues aa="PA" nterm="yes"/>
<delta monoisotopic="14.0157" average="14.0269"/>
<sprotFT><![CDATA[(N-methylalanine|N-methylisoleucine|N-methylleucine|N-methylmethionine|N-methylphenylalanine|N-methyltyrosine).*]]></sprotFT>
</oneModRes>
<oneModRes type="ptm" name="METH_cterm">
<description>Methylation_cterm</description>
<site>
<residue>PA</residue>
<cterm/>
</site>
<residues aa="PA" cterm="yes"/>
<delta monoisotopic="14.0157" average="14.0269"/>
<sprotFT><![CDATA[(Leucine methyl ester|Lysine methyl ester).*]]></sprotFT>
</oneModRes>
<oneModRes type="ptm" name="METH_core">
<description>Methylation_core</description>
<siteRegexp>[KR](?=.)</siteRegexp>
<residues aa="KR" aaAfter="."/>
<delta monoisotopic="14.0157" average="14.0269"/>
<sprotFT><![CDATA[(2-methylglutamine|5-methylarginine|Cysteine methyl ester|Glutamate methyl ester (Gln)|Glutamate methyl ester (Glu)|Methylhistidine|N-methylalanine|N-methylisoleucine|N-methylleucine|N-methylmethionine|N-methylphenylalanine|N-methyltyrosine|N4-methylasparagine|N5-methylarginine|N5-methylglutamine|N6-methylated lysine|N6-methyllysine|Omega-N-methylarginine|Omega-N-methylated arginine|S-methylcysteine|Tele-methylhistidine).*]]></sprotFT>
</oneModRes>
<oneModRes type="ptm" name="Ubiquitin_0mc">
<description>Ubiquitination no missed cleavage</description>
<site>
<residue>K</residue>
</site>
<residues aa="K"/>
<delta monoisotopic="114.0429" average="114.1040"/>
</oneModRes>
<oneModRes type="ptm" name="Ubiquitin_1mc">
<description>Ubiquitination one missed cleavage</description>
<site>
<residue>K</residue>
</site>
<residues aa="K"/>
<delta monoisotopic="383.2281" average="383.4511"/>
</oneModRes>
<!--<oneModRes type="ptm" name="GGLU"
description="Gamma-carboxyglutamic_acid">
<residue aa="E"/>
<delta monoisotopic="" average=""/>
</oneModRes>-->
<oneModRes type="ptm" name="SULF_nterm">
<description>Sulfation_nterm</description>
<site>
<residue>.</residue>
<nterm/>
</site>
<residues aa="." nterm="yes"/>
<delta monoisotopic="79.9568" average="80.0642"/>
<sprotFT><![CDATA[SULFATION.*]]></sprotFT>
</oneModRes>
<oneModRes type="ptm" name="SULF_core">
<description>"Sulfation_core</description>
<site>
<residue>STY</residue>
<prositeRule>PDOC00003</prositeRule>
</site>
<residues aa="STY" prositeRule="PDOC00003"/>
<delta monoisotopic="79.9568" average="80.0642"/>
<sprotFT><![CDATA[(Sulfotyrosine|Sulfoserine|Sulfothreonine).*]]></sprotFT>
</oneModRes>
<oneModRes type="ptm" name="FORM">
<description>Formylation</description>
<site>
<residue>.</residue>
<nterm/>
</site>
<residues aa="." nterm="yes"/>
<delta monoisotopic="27.9949" average="28.0104"/>
<sprotFT><![CDATA[(N-formylmethionine|N-formylglycine|N6-formyllysine).*]]></sprotFT>
</oneModRes>
<oneModRes type="aaModif" name="Oxidation">
<description>Oxidation</description>
<site>
<residue>MHW</residue>
</site>
<residues aa="MHW"/>
<delta monoisotopic="15.9949" average="15.999"/>
</oneModRes>
<oneModRes type="aaModif" name="Oxidation_HW">
<description>Oxidation</description>
<site>
<residue>HW</residue>
</site>
<residues aa="HW"/>
<delta monoisotopic="15.9949" average="15.999"/>
</oneModRes>
<oneModRes type="aaModif" name="Oxidation_M">
<description>Oxidation</description>
<site>
<residue>M</residue>
</site>
<residues aa="M"/>
<delta monoisotopic="15.9949" average="15.999"/>
</oneModRes>
<oneModRes type="aaModif" name="Cys_CM">
<description>Carboxymethyl_cysteine</description>
<site>
<residue>C</residue>
</site>
<residues aa="M"/>
<delta monoisotopic="58.00547" average="58.0367"/>
</oneModRes>
<oneModRes type="aaModif" name="Cys_CAM">
<description>Carboxyamidomethyl_cysteine</description>
<site>
<residue>C</residue>
</site>
<residues aa="C"/>
<delta monoisotopic="57.02146" average="57.052"/>
</oneModRes>
<oneModRes type="aaModif" name="Cys_CAM_old">
<description>Carboxyamidomethyl_cysteine</description>
<residue aa="C"/>
<residues aa="C"/>
<delta monoisotopic="57.02146" average="57.052"/>
</oneModRes>
<oneModRes type="aaModif" name="Cys_CAM_regexp">
<description>Carboxyamidomethyl_cysteine</description>
<siteRegexp>[C]</siteRegexp>
<residues aa="C"/>
<delta monoisotopic="57.02146" average="57.052"/>
</oneModRes>
<oneModRes type="aaModif" name="Cys_PE">
<description>Pyridyl-ethyl_cysteine</description>
<site>
<residue>C</residue>
</site>
<residues aa="C"/>
<delta monoisotopic="105.057849" average="105.1452"/>
</oneModRes>
<oneModRes type="aaModif" name="Cys_PAM">
<description>Propionamide_cysteine</description>
<site>
<residue>C</residue>
</site>
<residues aa="C"/>
<delta monoisotopic="71.03712" average="71.0788"/>
</oneModRes>
<oneModRes type="aaModif" name="MSO">
<description>Methionine_sulfoxide</description>
<site>
<residue>M</residue>
</site>
<residues aa="M"/>
<delta monoisotopic="15.99491" average="15.9994"/>
</oneModRes>
<oneModRes type="aaModif" name="HSL">
<description>Homoserine_Lactone</description>
<site>
<residue>S</residue>
</site>
<residues aa="S"/>
<delta monoisotopic="12.96165" average="13.01894"/>
</oneModRes>
<oneModRes type="aaModif" name="O18">
<description>O18 label</description>
<site>
<residue>KR</residue>
<cterm/>
</site>
<residues aa="KR" cterm="yes"/>
<delta monoisotopic="4.02912" average="4.02956"/>
</oneModRes>
<oneModRes type="aaModif" name="Guanidination">
<description>Guanidination</description>
<site>
<residue>K</residue>
</site>
<residues aa="K"/>
<delta monoisotopic="42.0218" average="42.0382"/>
</oneModRes>
<oneModRes type="aaModif" name="ICAT_light">
<description>ICAT light</description>
<site>
<residue>C</residue>
</site>
<residues aa="C"/>
<delta monoisotopic="227.1270" average="227.2644"/>
</oneModRes>
<oneModRes type="aaModif" name="ICAT_heavy">
<description>ICAT heavy</description>
<site>
<residue>C</residue>
</site>
<residues aa="C"/>
<delta monoisotopic="236.1572" average="236.1983"/>
</oneModRes>
<oneModRes type="aaModif" name="iTRAQ_KY">
<description>iTRAQ KY</description>
<site>
<residue>KY</residue>
</site>
<residues aa="KY"/>
<delta monoisotopic="144.10206" average="144.1543"/>
</oneModRes>
<oneModRes type="aaModif" name="iTRAQ_nterm">
<description>iTRAQ N-term</description>
<site>
<residue>.</residue>
<nterm/>
</site>
<residues aa="." nterm="yes"/>
<delta monoisotopic="144.10206" average="144.1543"/>
</oneModRes>
</modRes>
</inSilicoDefinitions>