Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
618749 | 5lvy RC | 34042 | cing | 1-original | 1 | XML | peak |
# Restraints file 1: aro_cnoesy_xpk.xml
<!DOCTYPE spectrum SYSTEM "noesy_spectrum1.0.dtd">
<spectrum name="aro_cnoesy">
<peak number="0" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.6523" error=""/>
<proton1>
<shift value="6.92037" error=""/>
</proton1>
<proton2>
<shift value="3.0496" error=""/>
</proton2>
<hetero1>
<shift value="134.92709" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="1" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.6262" error=""/>
<proton1>
<shift value="6.33932" error=""/>
</proton1>
<proton2>
<shift value="4.04815" error=""/>
</proton2>
<hetero1>
<shift value="134.82219" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.3138" error=""/>
<proton1>
<shift value="6.33931" error=""/>
</proton1>
<proton2>
<shift value="2.28649" error=""/>
</proton2>
<hetero1>
<shift value="134.80016" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="3" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="3.5301" error=""/>
<proton1>
<shift value="6.33732" error=""/>
</proton1>
<proton2>
<shift value="2.95472" error=""/>
</proton2>
<hetero1>
<shift value="134.77835" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="4" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.6463" error=""/>
<proton1>
<shift value="6.33893" error=""/>
</proton1>
<proton2>
<shift value="0.39561" error=""/>
</proton2>
<hetero1>
<shift value="134.78697" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="5" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="3.9739" error=""/>
<proton1>
<shift value="6.33572" error=""/>
</proton1>
<proton2>
<shift value="-0.02037" error=""/>
</proton2>
<hetero1>
<shift value="134.77136" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="6" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.7672" error=""/>
<proton1>
<shift value="6.33494" error=""/>
</proton1>
<proton2>
<shift value="5.25658" error=""/>
</proton2>
<hetero1>
<shift value="134.79015" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="7" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="5.2148" error=""/>
<proton1>
<shift value="6.33391" error=""/>
</proton1>
<proton2>
<shift value="2.62825" error=""/>
</proton2>
<hetero1>
<shift value="134.79388" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="8" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="3.8629" error=""/>
<proton1>
<shift value="6.33514" error=""/>
</proton1>
<proton2>
<shift value="1.99023" error=""/>
</proton2>
<hetero1>
<shift value="134.77692" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="9" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.3142" error=""/>
<proton1>
<shift value="6.32032" error=""/>
</proton1>
<proton2>
<shift value="5.24787" error=""/>
</proton2>
<hetero1>
<shift value="134.79631" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="10" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.8237" error=""/>
<proton1>
<shift value="7.05189" error=""/>
</proton1>
<proton2>
<shift value="5.63959" error=""/>
</proton2>
<hetero1>
<shift value="134.65576" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="11" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="5.0865" error=""/>
<proton1>
<shift value="7.05425" error=""/>
</proton1>
<proton2>
<shift value="4.85161" error=""/>
</proton2>
<hetero1>
<shift value="134.69325" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="12" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="7.5605" error=""/>
<proton1>
<shift value="7.05403" error=""/>
</proton1>
<proton2>
<shift value="3.2244" error=""/>
</proton2>
<hetero1>
<shift value="134.67058" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="13" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="6.7597" error=""/>
<proton1>
<shift value="7.05332" error=""/>
</proton1>
<proton2>
<shift value="2.73943" error=""/>
</proton2>
<hetero1>
<shift value="134.66824" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="14" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.7276" error=""/>
<proton1>
<shift value="7.05119" error=""/>
</proton1>
<proton2>
<shift value="2.42013" error=""/>
</proton2>
<hetero1>
<shift value="134.67575" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="15" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="3.799" error=""/>
<proton1>
<shift value="7.05233" error=""/>
</proton1>
<proton2>
<shift value="2.2011" error=""/>
</proton2>
<hetero1>
<shift value="134.68663" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="16" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.6604" error=""/>
<proton1>
<shift value="7.05506" error=""/>
</proton1>
<proton2>
<shift value="0.80355" error=""/>
</proton2>
<hetero1>
<shift value="134.66641" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="17" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="6.3408" error=""/>
<proton1>
<shift value="7.05291" error=""/>
</proton1>
<proton2>
<shift value="0.31907" error=""/>
</proton2>
<hetero1>
<shift value="134.67014" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="18" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.7079" error=""/>
<proton1>
<shift value="7.04783" error=""/>
</proton1>
<proton2>
<shift value="0.1405" error=""/>
</proton2>
<hetero1>
<shift value="134.6879" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="19" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.6169" error=""/>
<proton1>
<shift value="7.04282" error=""/>
</proton1>
<proton2>
<shift value="5.49612" error=""/>
</proton2>
<hetero1>
<shift value="134.68971" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="20" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.5655" error=""/>
<proton1>
<shift value="7.04191" error=""/>
</proton1>
<proton2>
<shift value="1.84328" error=""/>
</proton2>
<hetero1>
<shift value="134.68311" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="21" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="3.4133" error=""/>
<proton1>
<shift value="6.89862" error=""/>
</proton1>
<proton2>
<shift value="3.35705" error=""/>
</proton2>
<hetero1>
<shift value="134.58792" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="22" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.8295" error=""/>
<proton1>
<shift value="6.9936" error=""/>
</proton1>
<proton2>
<shift value="5.16403" error=""/>
</proton2>
<hetero1>
<shift value="134.10112" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="23" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="3.9362" error=""/>
<proton1>
<shift value="6.99405" error=""/>
</proton1>
<proton2>
<shift value="0.98062" error=""/>
</proton2>
<hetero1>
<shift value="134.08095" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="24" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.3719" error=""/>
<proton1>
<shift value="6.9984" error=""/>
</proton1>
<proton2>
<shift value="4.07545" error=""/>
</proton2>
<hetero1>
<shift value="134.05797" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="25" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="8.8756" error=""/>
<proton1>
<shift value="6.99774" error=""/>
</proton1>
<proton2>
<shift value="3.34274" error=""/>
</proton2>
<hetero1>
<shift value="134.06058" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="26" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="9.3747" error=""/>
<proton1>
<shift value="6.99916" error=""/>
</proton1>
<proton2>
<shift value="2.95578" error=""/>
</proton2>
<hetero1>
<shift value="134.06215" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="27" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="5.7286" error=""/>
<proton1>
<shift value="6.99856" error=""/>
</proton1>
<proton2>
<shift value="2.04025" error=""/>
</proton2>
<hetero1>
<shift value="134.06299" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="28" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="6.4114" error=""/>
<proton1>
<shift value="6.99818" error=""/>
</proton1>
<proton2>
<shift value="1.6533" error=""/>
</proton2>
<hetero1>
<shift value="134.06166" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="29" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="8.6595" error=""/>
<proton1>
<shift value="6.99879" error=""/>
</proton1>
<proton2>
<shift value="0.74881" error=""/>
</proton2>
<hetero1>
<shift value="134.06575" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="30" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="5.1205" error=""/>
<proton1>
<shift value="6.99833" error=""/>
</proton1>
<proton2>
<shift value="0.2265" error=""/>
</proton2>
<hetero1>
<shift value="134.07248" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="31" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="4.0214" error=""/>
<proton1>
<shift value="6.99185" error=""/>
</proton1>
<proton2>
<shift value="1.24552" error=""/>
</proton2>
<hetero1>
<shift value="134.0513" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="32" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="6.1623" error=""/>
<proton1>
<shift value="6.94185" error=""/>
</proton1>
<proton2>
<shift value="4.50024" error=""/>
</proton2>
<hetero1>
<shift value="133.5239" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="33" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="6.2318" error=""/>
<proton1>
<shift value="6.93799" error=""/>
</proton1>
<proton2>
<shift value="5.43613" error=""/>
</proton2>
<hetero1>
<shift value="133.51425" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="34" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="5.3708" error=""/>
<proton1>
<shift value="6.93888" error=""/>
</proton1>
<proton2>
<shift value="4.07491" error=""/>
</proton2>
<hetero1>
<shift value="133.52504" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="35" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="6.0528" error=""/>
<proton1>
<shift value="6.9372" error=""/>
</proton1>
<proton2>
<shift value="3.71177" error=""/>
</proton2>
<hetero1>
<shift value="133.53569" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="36" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="3.8225" error=""/>
<proton1>
<shift value="6.93915" error=""/>
</proton1>
<proton2>
<shift value="3.5472" error=""/>
</proton2>
<hetero1>
<shift value="133.5233" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="37" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="9.7795" error=""/>
<proton1>
<shift value="6.93838" error=""/>
</proton1>
<proton2>
<shift value="2.83106" error=""/>
</proton2>
<hetero1>
<shift value="133.52211" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="38" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="11.7872" error=""/>
<proton1>
<shift value="6.93898" error=""/>
</proton1>
<proton2>
<shift value="2.62963" error=""/>
</proton2>
<hetero1>
<shift value="133.53172" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="39" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="13.5565" error=""/>
<proton1>
<shift value="6.93856" error=""/>
</proton1>
<proton2>
<shift value="0.854" error=""/>
</proton2>
<hetero1>
<shift value="133.52411" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="40" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
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<proton1>
<shift value="6.93737" error=""/>
</proton1>
<proton2>
<shift value="0.66163" error=""/>
</proton2>
<hetero1>
<shift value="133.53058" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="41" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="4.8237" error=""/>
<proton1>
<shift value="6.58592" error=""/>
</proton1>
<proton2>
<shift value="2.96462" error=""/>
</proton2>
<hetero1>
<shift value="133.30626" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="42" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="4.4866" error=""/>
<proton1>
<shift value="6.58357" error=""/>
</proton1>
<proton2>
<shift value="2.27458" error=""/>
</proton2>
<hetero1>
<shift value="133.2935" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="43" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
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<proton1>
<shift value="6.58346" error=""/>
</proton1>
<proton2>
<shift value="0.38388" error=""/>
</proton2>
<hetero1>
<shift value="133.29782" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="44" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
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<proton1>
<shift value="6.55658" error=""/>
</proton1>
<proton2>
<shift value="2.2815" error=""/>
</proton2>
<hetero1>
<shift value="133.27585" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="45" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
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<proton1>
<shift value="7.1346" error=""/>
</proton1>
<proton2>
<shift value="2.47611" error=""/>
</proton2>
<hetero1>
<shift value="132.84599" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="46" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.7153" error=""/>
<proton1>
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</proton1>
<proton2>
<shift value="1.63457" error=""/>
</proton2>
<hetero1>
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</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="47" reliable="no" ambiguity="">
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<proton1>
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</proton1>
<proton2>
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</proton2>
<hetero1>
<shift value="132.84248" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="48" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="4.0999" error=""/>
<proton1>
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</proton1>
<proton2>
<shift value="2.77474" error=""/>
</proton2>
<hetero1>
<shift value="132.85347" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="49" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="8.576" error=""/>
<proton1>
<shift value="7.12621" error=""/>
</proton1>
<proton2>
<shift value="1.01649" error=""/>
</proton2>
<hetero1>
<shift value="132.83533" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="50" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="3.1803" error=""/>
<proton1>
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</proton1>
<proton2>
<shift value="0.56266" error=""/>
</proton2>
<hetero1>
<shift value="132.86168" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="51" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="4.247" error=""/>
<proton1>
<shift value="7.12928" error=""/>
</proton1>
<proton2>
<shift value="0.22053" error=""/>
</proton2>
<hetero1>
<shift value="132.83463" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="52" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="3.4141" error=""/>
<proton1>
<shift value="7.12707" error=""/>
</proton1>
<proton2>
<shift value="4.36613" error=""/>
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<shift value="118.40146" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="213" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.1842" error=""/>
<proton1>
<shift value="6.69841" error=""/>
</proton1>
<proton2>
<shift value="2.66638" error=""/>
</proton2>
<hetero1>
<shift value="132.6882" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="214" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.6016" error=""/>
<proton1>
<shift value="5.6707" error=""/>
</proton1>
<proton2>
<shift value="6.45937" error=""/>
</proton2>
<hetero1>
<shift value="132.6882" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="215" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.0543" error=""/>
<proton1>
<shift value="5.6515" error=""/>
</proton1>
<proton2>
<shift value="7.00622" error=""/>
</proton2>
<hetero1>
<shift value="132.6882" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="216" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="1.9879" error=""/>
<proton1>
<shift value="5.663" error=""/>
</proton1>
<proton2>
<shift value="3.68532" error=""/>
</proton2>
<hetero1>
<shift value="132.6882" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="217" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.1387" error=""/>
<proton1>
<shift value="5.67758" error=""/>
</proton1>
<proton2>
<shift value="0.29061" error=""/>
</proton2>
<hetero1>
<shift value="132.6882" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="218" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="6.7836" error=""/>
<proton1>
<shift value="6.33702" error=""/>
</proton1>
<proton2>
<shift value="6.6082" error=""/>
</proton2>
<hetero1>
<shift value="134.75484" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="219" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.3382" error=""/>
<proton1>
<shift value="6.33995" error=""/>
</proton1>
<proton2>
<shift value="4.04731" error=""/>
</proton2>
<hetero1>
<shift value="134.75484" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="220" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="5.2637" error=""/>
<proton1>
<shift value="6.3357" error=""/>
</proton1>
<proton2>
<shift value="6.89398" error=""/>
</proton2>
<hetero1>
<shift value="134.75484" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="221" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="3.3551" error=""/>
<proton1>
<shift value="6.33326" error=""/>
</proton1>
<proton2>
<shift value="7.21893" error=""/>
</proton2>
<hetero1>
<shift value="134.75484" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="222" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="3.2264" error=""/>
<proton1>
<shift value="6.33097" error=""/>
</proton1>
<proton2>
<shift value="8.29824" error=""/>
</proton2>
<hetero1>
<shift value="134.75484" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="223" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.9536" error=""/>
<proton1>
<shift value="7.05253" error=""/>
</proton1>
<proton2>
<shift value="6.45247" error=""/>
</proton2>
<hetero1>
<shift value="134.66498" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="224" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="3.9861" error=""/>
<proton1>
<shift value="7.05419" error=""/>
</proton1>
<proton2>
<shift value="6.74842" error=""/>
</proton2>
<hetero1>
<shift value="134.66498" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="225" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.923" error=""/>
<proton1>
<shift value="7.05958" error=""/>
</proton1>
<proton2>
<shift value="8.74616" error=""/>
</proton2>
<hetero1>
<shift value="134.66498" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="226" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="1.7855" error=""/>
<proton1>
<shift value="6.92014" error=""/>
</proton1>
<proton2>
<shift value="4.91222" error=""/>
</proton2>
<hetero1>
<shift value="134.93454" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="227" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="1.8033" error=""/>
<proton1>
<shift value="6.9166" error=""/>
</proton1>
<proton2>
<shift value="2.71412" error=""/>
</proton2>
<hetero1>
<shift value="134.93454" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="228" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.3358" error=""/>
<proton1>
<shift value="6.92479" error=""/>
</proton1>
<proton2>
<shift value="9.72766" error=""/>
</proton2>
<hetero1>
<shift value="134.93454" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="229" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="1.996" error=""/>
<proton1>
<shift value="6.85395" error=""/>
</proton1>
<proton2>
<shift value="0.62161" error=""/>
</proton2>
<hetero1>
<shift value="130.98097" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="230" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="1.6952" error=""/>
<proton1>
<shift value="6.86173" error=""/>
</proton1>
<proton2>
<shift value="1.65647" error=""/>
</proton2>
<hetero1>
<shift value="130.98097" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="231" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.0535" error=""/>
<proton1>
<shift value="6.84851" error=""/>
</proton1>
<proton2>
<shift value="2.53737" error=""/>
</proton2>
<hetero1>
<shift value="130.98097" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="232" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.4401" error=""/>
<proton1>
<shift value="6.84796" error=""/>
</proton1>
<proton2>
<shift value="0.10748" error=""/>
</proton2>
<hetero1>
<shift value="130.98097" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="233" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="92.5275" error=""/>
<proton1>
<shift value="6.93817" error=""/>
</proton1>
<proton2>
<shift value="6.70663" error=""/>
</proton2>
<hetero1>
<shift value="133.49687" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="234" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="3.7243" error=""/>
<proton1>
<shift value="6.70337" error=""/>
</proton1>
<proton2>
<shift value="0.78563" error=""/>
</proton2>
<hetero1>
<shift value="131.78966" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="235" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="4.3485" error=""/>
<proton1>
<shift value="6.72796" error=""/>
</proton1>
<proton2>
<shift value="2.24206" error=""/>
</proton2>
<hetero1>
<shift value="131.87952" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="236" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="3.2129" error=""/>
<proton1>
<shift value="6.72965" error=""/>
</proton1>
<proton2>
<shift value="3.11578" error=""/>
</proton2>
<hetero1>
<shift value="131.87952" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="237" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="4.9953" error=""/>
<proton1>
<shift value="6.72965" error=""/>
</proton1>
<proton2>
<shift value="1.69072" error=""/>
</proton2>
<hetero1>
<shift value="131.87952" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="238" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="4.1095" error=""/>
<proton1>
<shift value="6.72965" error=""/>
</proton1>
<proton2>
<shift value="0.93627" error=""/>
</proton2>
<hetero1>
<shift value="131.87952" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="239" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.0624" error=""/>
<proton1>
<shift value="6.80823" error=""/>
</proton1>
<proton2>
<shift value="0.55645" error=""/>
</proton2>
<hetero1>
<shift value="118.58117" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="240" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="4.4817" error=""/>
<proton1>
<shift value="6.78256" error=""/>
</proton1>
<proton2>
<shift value="4.52709" error=""/>
</proton2>
<hetero1>
<shift value="118.49132" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="241" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.08105" error=""/>
<proton1>
<shift value="6.78292" error=""/>
</proton1>
<proton2>
<shift value="2.92944" error=""/>
</proton2>
<hetero1>
<shift value="118.49132" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="242" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="1.52244" error=""/>
<proton1>
<shift value="6.78228" error=""/>
</proton1>
<proton2>
<shift value="4.67572" error=""/>
</proton2>
<hetero1>
<shift value="118.49132" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="243" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="1.74963" error=""/>
<proton1>
<shift value="6.78538" error=""/>
</proton1>
<proton2>
<shift value="0.22841" error=""/>
</proton2>
<hetero1>
<shift value="118.49132" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="244" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="1.85013" error=""/>
<proton1>
<shift value="6.46128" error=""/>
</proton1>
<proton2>
<shift value="2.72991" error=""/>
</proton2>
<hetero1>
<shift value="119.21014" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="245" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="1.69179" error=""/>
<proton1>
<shift value="6.46218" error=""/>
</proton1>
<proton2>
<shift value="1.48342" error=""/>
</proton2>
<hetero1>
<shift value="119.21014" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="246" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.29134" error=""/>
<proton1>
<shift value="6.99494" error=""/>
</proton1>
<proton2>
<shift value="4.70584" error=""/>
</proton2>
<hetero1>
<shift value="134.036" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="247" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="1.61575" error=""/>
<proton1>
<shift value="6.32852" error=""/>
</proton1>
<proton2>
<shift value="1.95031" error=""/>
</proton2>
<hetero1>
<shift value="116.69424" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="248" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="1.9565" error=""/>
<proton1>
<shift value="6.3231" error=""/>
</proton1>
<proton2>
<shift value="1.71367" error=""/>
</proton2>
<hetero1>
<shift value="116.69424" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="249" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="1.61897" error=""/>
<proton1>
<shift value="6.89737" error=""/>
</proton1>
<proton2>
<shift value="5.10433" error=""/>
</proton2>
<hetero1>
<shift value="134.57512" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="250" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="1.46907" error=""/>
<proton1>
<shift value="6.90263" error=""/>
</proton1>
<proton2>
<shift value="-0.01012" error=""/>
</proton2>
<hetero1>
<shift value="134.57512" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="251" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.92871" error=""/>
<proton1>
<shift value="6.90437" error=""/>
</proton1>
<proton2>
<shift value="6.34049" error=""/>
</proton2>
<hetero1>
<shift value="134.57512" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="252" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="6.40732" error=""/>
<proton1>
<shift value="6.90123" error=""/>
</proton1>
<proton2>
<shift value="6.6057" error=""/>
</proton2>
<hetero1>
<shift value="134.57512" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
</spectrum># Restraints file 2: cnoesy_xpk.xml
<!DOCTYPE spectrum SYSTEM "noesy_spectrum1.0.dtd">
<spectrum name="cnoesy">
<peak number="0" reliable="no" ambiguity="">
<volume value="17.0443" error=""/>
<intensity value="17.0443" error=""/>
<proton1>
<shift value="4.94105" error=""/>
</proton1>
<proton2>
<shift value="2.00164" error=""/>
</proton2>
<hetero1>
<shift value="61.19862" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="1" reliable="no" ambiguity="">
<volume value="97.4001" error=""/>
<intensity value="37.8231" error=""/>
<proton1>
<shift value="4.74855" error=""/>
</proton1>
<proton2>
<shift value="4.44148" error=""/>
</proton2>
<hetero1>
<shift value="61.19862" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2" reliable="no" ambiguity="">
<volume value="26.3296" error=""/>
<intensity value="20.7767" error=""/>
<proton1>
<shift value="4.58761" error=""/>
</proton1>
<proton2>
<shift value="1.72012" error=""/>
</proton2>
<hetero1>
<shift value="61.19862" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="3" reliable="no" ambiguity="">
<volume value="65.8493" error=""/>
<intensity value="23.4603" error=""/>
<proton1>
<shift value="4.58862" error=""/>
</proton1>
<proton2>
<shift value="0.87555" error=""/>
</proton2>
<hetero1>
<shift value="61.19862" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="4" reliable="no" ambiguity="">
<volume value="1010.93591" error=""/>
<intensity value="39.1158" error=""/>
<proton1>
<shift value="4.42241" error=""/>
</proton1>
<proton2>
<shift value="0.96939" error=""/>
</proton2>
<hetero1>
<shift value="61.19862" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="5" reliable="no" ambiguity="">
<volume value="8.3173" error=""/>
<intensity value="8.3173" error=""/>
<proton1>
<shift value="4.39698" error=""/>
</proton1>
<proton2>
<shift value="0.59403" error=""/>
</proton2>
<hetero1>
<shift value="61.19862" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="6" reliable="no" ambiguity="">
<volume value="18.5473" error=""/>
<intensity value="16.0584" error=""/>
<proton1>
<shift value="4.38196" error=""/>
</proton1>
<proton2>
<shift value="8.28893" error=""/>
</proton2>
<hetero1>
<shift value="61.19862" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="7" reliable="no" ambiguity="">
<volume value="11.0746" error=""/>
<intensity value="11.0746" error=""/>
<proton1>
<shift value="4.36798" error=""/>
</proton1>
<proton2>
<shift value="5.28604" error=""/>
</proton2>
<hetero1>
<shift value="61.19862" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="8" reliable="no" ambiguity="">
<volume value="-325.7623" error=""/>
<intensity value="1.0129" error=""/>
<proton1>
<shift value="1.98351" error=""/>
</proton1>
<proton2>
<shift value="9.50885" error=""/>
</proton2>
<hetero1>
<shift value="61.19862" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="9" reliable="no" ambiguity="">
<volume value="8.1329" error=""/>
<intensity value="8.1329" error=""/>
<proton1>
<shift value="1.99021" error=""/>
</proton1>
<proton2>
<shift value="8.94581" error=""/>
</proton2>
<hetero1>
<shift value="61.19862" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="10" reliable="no" ambiguity="">
<volume value="157.4549" error=""/>
<intensity value="12.853" error=""/>
<proton1>
<shift value="1.99695" error=""/>
</proton1>
<proton2>
<shift value="8.28893" error=""/>
</proton2>
<hetero1>
<shift value="61.19862" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="11" reliable="no" ambiguity="">
<volume value="-57.0378" error=""/>
<intensity value="-4.5108" error=""/>
<proton1>
<shift value="1.99177" error=""/>
</proton1>
<proton2>
<shift value="7.069" error=""/>
</proton2>
<hetero1>
<shift value="61.19862" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="12" reliable="no" ambiguity="">
<volume value="-393.54779" error=""/>
<intensity value="32.1087" error=""/>
<proton1>
<shift value="1.99014" error=""/>
</proton1>
<proton2>
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<intensity value="5.93198" error=""/>
<proton1>
<shift value="2.89199" error=""/>
</proton1>
<proton2>
<shift value="0.96939" error=""/>
</proton2>
<hetero1>
<shift value="37.96167" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2706" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="12.8051" error=""/>
<proton1>
<shift value="2.87833" error=""/>
</proton1>
<proton2>
<shift value="4.53532" error=""/>
</proton2>
<hetero1>
<shift value="37.96167" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2707" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="5.2104" error=""/>
<proton1>
<shift value="2.87833" error=""/>
</proton1>
<proton2>
<shift value="1.62628" error=""/>
</proton2>
<hetero1>
<shift value="37.96167" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2708" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="77.32256" error=""/>
<proton1>
<shift value="4.58636" error=""/>
</proton1>
<proton2>
<shift value="2.65852" error=""/>
</proton2>
<hetero1>
<shift value="53.82689" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2709" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.9093" error=""/>
<proton1>
<shift value="1.75786" error=""/>
</proton1>
<proton2>
<shift value="3.69076" error=""/>
</proton2>
<hetero1>
<shift value="25.30154" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2710" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="3.6702" error=""/>
<proton1>
<shift value="1.75786" error=""/>
</proton1>
<proton2>
<shift value="3.97228" error=""/>
</proton2>
<hetero1>
<shift value="25.30154" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2711" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.99703" error=""/>
<proton1>
<shift value="1.75786" error=""/>
</proton1>
<proton2>
<shift value="4.53532" error=""/>
</proton2>
<hetero1>
<shift value="25.30154" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2712" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="7.36832" error=""/>
<proton1>
<shift value="1.64855" error=""/>
</proton1>
<proton2>
<shift value="4.53532" error=""/>
</proton2>
<hetero1>
<shift value="25.30154" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2713" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="4.81018" error=""/>
<proton1>
<shift value="1.64855" error=""/>
</proton1>
<proton2>
<shift value="3.97228" error=""/>
</proton2>
<hetero1>
<shift value="25.30154" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2714" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="4.55531" error=""/>
<proton1>
<shift value="1.64855" error=""/>
</proton1>
<proton2>
<shift value="3.69076" error=""/>
</proton2>
<hetero1>
<shift value="25.30154" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2715" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="5.7723" error=""/>
<proton1>
<shift value="1.64855" error=""/>
</proton1>
<proton2>
<shift value="3.03388" error=""/>
</proton2>
<hetero1>
<shift value="25.30154" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2716" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="8.97654" error=""/>
<proton1>
<shift value="2.01748" error=""/>
</proton1>
<proton2>
<shift value="4.53532" error=""/>
</proton2>
<hetero1>
<shift value="31.71173" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2717" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="11.0953" error=""/>
<proton1>
<shift value="2.03115" error=""/>
</proton1>
<proton2>
<shift value="3.69076" error=""/>
</proton2>
<hetero1>
<shift value="31.71173" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2718" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.89162" error=""/>
<proton1>
<shift value="3.34291" error=""/>
</proton1>
<proton2>
<shift value="2.00164" error=""/>
</proton2>
<hetero1>
<shift value="40.04498" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2719" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.05378" error=""/>
<proton1>
<shift value="3.34291" error=""/>
</proton1>
<proton2>
<shift value="1.62628" error=""/>
</proton2>
<hetero1>
<shift value="40.04498" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2720" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.26451" error=""/>
<proton1>
<shift value="4.09445" error=""/>
</proton1>
<proton2>
<shift value="6.69364" error=""/>
</proton2>
<hetero1>
<shift value="21.45543" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2721" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="6.06855" error=""/>
<proton1>
<shift value="1.35686" error=""/>
</proton1>
<proton2>
<shift value="4.70281" error=""/>
</proton2>
<hetero1>
<shift value="26.58358" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2722" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="12.97461" error=""/>
<proton1>
<shift value="4.1901" error=""/>
</proton1>
<proton2>
<shift value="2.09548" error=""/>
</proton2>
<hetero1>
<shift value="23.85925" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2723" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="17.89817" error=""/>
<proton1>
<shift value="4.16532" error=""/>
</proton1>
<proton2>
<shift value="1.91375" error=""/>
</proton2>
<hetero1>
<shift value="23.69899" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2724" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="15.21138" error=""/>
<proton1>
<shift value="4.16373" error=""/>
</proton1>
<proton2>
<shift value="2.18737" error=""/>
</proton2>
<hetero1>
<shift value="23.69899" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2725" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="4.32917" error=""/>
<proton1>
<shift value="4.16277" error=""/>
</proton1>
<proton2>
<shift value="1.15707" error=""/>
</proton2>
<hetero1>
<shift value="23.69899" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2726" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.63532" error=""/>
<proton1>
<shift value="4.16277" error=""/>
</proton1>
<proton2>
<shift value="0.03099" error=""/>
</proton2>
<hetero1>
<shift value="23.69899" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2727" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="5.48549" error=""/>
<proton1>
<shift value="1.8247" error=""/>
</proton1>
<proton2>
<shift value="4.41973" error=""/>
</proton2>
<hetero1>
<shift value="26.74383" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2728" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="4.14098" error=""/>
<proton1>
<shift value="1.79886" error=""/>
</proton1>
<proton2>
<shift value="3.59692" error=""/>
</proton2>
<hetero1>
<shift value="26.74383" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2729" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="8.89189" error=""/>
<proton1>
<shift value="1.79886" error=""/>
</proton1>
<proton2>
<shift value="2.28316" error=""/>
</proton2>
<hetero1>
<shift value="26.74383" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2730" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="5.74413" error=""/>
<proton1>
<shift value="1.85351" error=""/>
</proton1>
<proton2>
<shift value="8.66429" error=""/>
</proton2>
<hetero1>
<shift value="37.00014" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2731" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="3.66166" error=""/>
<proton1>
<shift value="1.85351" error=""/>
</proton1>
<proton2>
<shift value="9.22733" error=""/>
</proton2>
<hetero1>
<shift value="37.00014" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2732" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="3.95611" error=""/>
<proton1>
<shift value="1.86718" error=""/>
</proton1>
<proton2>
<shift value="4.91068" error=""/>
</proton2>
<hetero1>
<shift value="37.00014" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2733" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="3.3029" error=""/>
<proton1>
<shift value="1.85351" error=""/>
</proton1>
<proton2>
<shift value="4.62916" error=""/>
</proton2>
<hetero1>
<shift value="37.00014" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2734" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="7.50453" error=""/>
<proton1>
<shift value="1.85351" error=""/>
</proton1>
<proton2>
<shift value="4.44148" error=""/>
</proton2>
<hetero1>
<shift value="37.1604" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2735" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.71221" error=""/>
<proton1>
<shift value="3.9988" error=""/>
</proton1>
<proton2>
<shift value="1.34476" error=""/>
</proton2>
<hetero1>
<shift value="21.13492" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2736" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="2.65524" error=""/>
<proton1>
<shift value="4.01246" error=""/>
</proton1>
<proton2>
<shift value="6.78748" error=""/>
</proton2>
<hetero1>
<shift value="21.13492" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2737" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="4.14599" error=""/>
<proton1>
<shift value="3.9988" error=""/>
</proton1>
<proton2>
<shift value="4.723" error=""/>
</proton2>
<hetero1>
<shift value="21.13492" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2738" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="43.42385" error=""/>
<proton1>
<shift value="2.04481" error=""/>
</proton1>
<proton2>
<shift value="2.47084" error=""/>
</proton2>
<hetero1>
<shift value="32.1925" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2739" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="4.04232" error=""/>
<proton1>
<shift value="2.03115" error=""/>
</proton1>
<proton2>
<shift value="6.78748" error=""/>
</proton2>
<hetero1>
<shift value="32.03224" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2740" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="8.28113" error=""/>
<proton1>
<shift value="2.04481" error=""/>
</proton1>
<proton2>
<shift value="6.97516" error=""/>
</proton2>
<hetero1>
<shift value="32.03224" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
</spectrum># Restraints file 3: nnoesy_xpk.xml
<!DOCTYPE spectrum SYSTEM "noesy_spectrum1.0.dtd">
<spectrum name="nnoesy">
<peak number="0" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="10.2098" error=""/>
<proton1>
<shift value="9.28251" error=""/>
</proton1>
<proton2>
<shift value="5.01607" error=""/>
</proton2>
<hetero1>
<shift value="132.32211" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="1" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="4.0996" error=""/>
<proton1>
<shift value="9.28411" error=""/>
</proton1>
<proton2>
<shift value="1.60349" error=""/>
</proton2>
<hetero1>
<shift value="132.30496" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="2" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="6.047" error=""/>
<proton1>
<shift value="9.27605" error=""/>
</proton1>
<proton2>
<shift value="0.94119" error=""/>
</proton2>
<hetero1>
<shift value="132.32095" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="3" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="4.5327" error=""/>
<proton1>
<shift value="9.27867" error=""/>
</proton1>
<proton2>
<shift value="0.16925" error=""/>
</proton2>
<hetero1>
<shift value="132.32597" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="4" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="4.9574" error=""/>
<proton1>
<shift value="9.3887" error=""/>
</proton1>
<proton2>
<shift value="5.06207" error=""/>
</proton2>
<hetero1>
<shift value="131.44464" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="5" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="4.0613" error=""/>
<proton1>
<shift value="9.14101" error=""/>
</proton1>
<proton2>
<shift value="4.34236" error=""/>
</proton2>
<hetero1>
<shift value="131.31194" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="6" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="7.0819" error=""/>
<proton1>
<shift value="9.13834" error=""/>
</proton1>
<proton2>
<shift value="4.70666" error=""/>
</proton2>
<hetero1>
<shift value="131.17142" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="7" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="6.0649" error=""/>
<proton1>
<shift value="9.14105" error=""/>
</proton1>
<proton2>
<shift value="2.77283" error=""/>
</proton2>
<hetero1>
<shift value="131.23593" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="8" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="12.9512" error=""/>
<proton1>
<shift value="9.13048" error=""/>
</proton1>
<proton2>
<shift value="9.37557" error=""/>
</proton2>
<hetero1>
<shift value="131.19135" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="9" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="5.1961" error=""/>
<proton1>
<shift value="9.123" error=""/>
</proton1>
<proton2>
<shift value="8.49953" error=""/>
</proton2>
<hetero1>
<shift value="131.12332" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="10" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="72.3054" error=""/>
<proton1>
<shift value="9.12536" error=""/>
</proton1>
<proton2>
<shift value="5.06439" error=""/>
</proton2>
<hetero1>
<shift value="131.17049" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="11" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="6.3286" error=""/>
<proton1>
<shift value="9.13081" error=""/>
</proton1>
<proton2>
<shift value="3.82751" error=""/>
</proton2>
<hetero1>
<shift value="131.18082" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="12" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="23.0319" error=""/>
<proton1>
<shift value="9.12652" error=""/>
</proton1>
<proton2>
<shift value="1.66813" error=""/>
</proton2>
<hetero1>
<shift value="131.17329" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="13" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="35.9438" error=""/>
<proton1>
<shift value="9.1293" error=""/>
</proton1>
<proton2>
<shift value="0.92208" error=""/>
</proton2>
<hetero1>
<shift value="131.16649" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="14" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="13.3715" error=""/>
<proton1>
<shift value="9.12748" error=""/>
</proton1>
<proton2>
<shift value="0.75447" error=""/>
</proton2>
<hetero1>
<shift value="131.21262" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="15" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="8.8673" error=""/>
<proton1>
<shift value="9.132" error=""/>
</proton1>
<proton2>
<shift value="0.49935" error=""/>
</proton2>
<hetero1>
<shift value="131.17511" error=""/>
</hetero1>
<hetero2>
<shift value="" error=""/>
</hetero2>
</peak>
<peak number="16" reliable="no" ambiguity="">
<volume value="0.0" error=""/>
<intensity value="15.0175" error=""/>
<proton1>
<shift value="9.13129" error=""/>
</proton1>
<proton2>
<shift value="0.21913" error=""/>
</proton2>
<hetero1>
<shift value="131.17386" error=""/>
</hetero1>
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