BMRB

NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
653851 6yhi RC 34507 cing 1-original 1 unknown distance NOE simple


# Restraints file 1: noe_restraints.xml
<!DOCTYPE noe_restraint_list SYSTEM "noe_restraint1.0.dtd">
<noe_restraint_list>
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    <reference_peak spectrum="noesy" number="1"/>
    <contribution id="0" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="51" name="H"/>
        <chemical_shift value="8.561" error=""/>
      </spin_system>
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="50" name="H"/>
        <chemical_shift value="8.629" error=""/>
      </spin_system>
      <average_distance value="2.35398511788" error="0.134424981235"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.42425808925" error="0.178207350266"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="412109.441646" error=""/>
    </analysis>
  </peak>
  <peak id="1" weight="1.0" distance="2.77412387375" lower_bound="1.81215346539" upper_bound="3.73609428211" active="1" merged="0">
    <reference_peak spectrum="noesy" number="2"/>
    <contribution id="1" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="49" name="H"/>
        <chemical_shift value="8.498" error=""/>
      </spin_system>
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="50" name="H"/>
        <chemical_shift value="8.629" error=""/>
      </spin_system>
      <average_distance value="2.65801432308" error="0.17621672641"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.74345506075" error="0.191304881009"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="209625.858136" error=""/>
    </analysis>
  </peak>
  <peak id="3" weight="1.0" distance="2.78320618955" lower_bound="1.81492660286" upper_bound="3.75148577625" active="1" merged="0">
    <reference_peak spectrum="noesy" number="4"/>
    <contribution id="3" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
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        <chemical_shift value="8.185" error=""/>
      </spin_system>
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="47" name="H"/>
        <chemical_shift value="8.575" error=""/>
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      <average_distance value="2.56184554001" error="0.0607824039698"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.56848160067" error="0.0806063666109"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="263041.400514" error=""/>
    </analysis>
  </peak>
  <peak id="6" weight="1.0" distance="2.79089109271" lower_bound="1.81725695629" upper_bound="3.76452522913" active="1" merged="0">
    <reference_peak spectrum="noesy" number="7"/>
    <contribution id="6" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
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        <chemical_shift value="8.337" error=""/>
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      <spin_system averaging_method="NONE">
        <atom segid="    " residue="45" name="H"/>
        <chemical_shift value="8.532" error=""/>
      </spin_system>
      <average_distance value="2.60357298622" error="0.0621247910986"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.63002057542" error="0.110920658527"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="219990.2055" error=""/>
    </analysis>
  </peak>
  <peak id="9" weight="1.0" distance="2.83441021671" lower_bound="1.83017505714" upper_bound="3.83864537629" active="1" merged="0">
    <reference_peak spectrum="noesy" number="10"/>
    <contribution id="9" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
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        <chemical_shift value="8.184" error=""/>
      </spin_system>
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="49" name="H"/>
        <chemical_shift value="8.498" error=""/>
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      <average_distance value="2.59964727958" error="0.118757562923"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.59722234454" error="0.0756414189054"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="259803.67568" error=""/>
    </analysis>
  </peak>
  <peak id="10" weight="1.0" distance="2.73843596003" lower_bound="1.80105702163" upper_bound="3.67581489843" active="1" merged="0">
    <reference_peak spectrum="noesy" number="11"/>
    <contribution id="10" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="35" name="H"/>
        <chemical_shift value="8.121" error=""/>
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      <spin_system averaging_method="NONE">
        <atom segid="    " residue="36" name="H"/>
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      </spin_system>
      <average_distance value="2.50972790283" error="0.111411382093"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.46150523375" error="0.1119369381"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="284399.614007" error=""/>
    </analysis>
  </peak>
  <peak id="12" weight="1.0" distance="2.80384168704" lower_bound="1.82115066129" upper_bound="3.78653271278" active="1" merged="0">
    <reference_peak spectrum="noesy" number="13"/>
    <contribution id="12" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="41" name="H"/>
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      <spin_system averaging_method="NONE">
        <atom segid="    " residue="40" name="H"/>
        <chemical_shift value="8.389" error=""/>
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      <average_distance value="2.76418104711" error="0.0679362097914"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.73986731168" error="0.106794265418"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="163961.963396" error=""/>
    </analysis>
  </peak>
  <peak id="15" weight="1.0" distance="2.82641742764" lower_bound="1.82783799323" upper_bound="3.82499686205" active="1" merged="0">
    <reference_peak spectrum="noesy" number="16"/>
    <contribution id="15" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
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        <chemical_shift value="7.997" error=""/>
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      <spin_system averaging_method="NONE">
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      </spin_system>
      <average_distance value="2.64680620903" error="0.136353855261"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.64841650541" error="0.152077763609"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="224995.314011" error=""/>
    </analysis>
  </peak>
  <peak id="17" weight="1.0" distance="2.67085345873" lower_bound="1.77917118398" upper_bound="3.56253573348" active="1" merged="0">
    <reference_peak spectrum="noesy" number="18"/>
    <contribution id="17" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="47" name="H"/>
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      <spin_system averaging_method="NONE">
        <atom segid="    " residue="46" name="H"/>
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      <average_distance value="2.64818126097" error="0.115121720577"/>
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    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
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      <model_peak_size value="173774.702769" error=""/>
    </analysis>
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    <reference_peak spectrum="noesy" number="20"/>
    <contribution id="19" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
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      <spin_system averaging_method="NONE">
        <atom segid="    " residue="53" name="H"/>
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    <analysis degree_of_violation="0.0" violated="0">
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    <reference_peak spectrum="noesy" number="21"/>
    <contribution id="20" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
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      <spin_system averaging_method="NONE">
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    <analysis degree_of_violation="0.0" violated="0">
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      <spin_system averaging_method="NONE">
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      <spin_system averaging_method="NONE">
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