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
653856 6yho RC 34508 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="49" name="H"/>
        <chemical_shift value="8.497" error=""/>
      </spin_system>
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="50" name="H"/>
        <chemical_shift value="8.627" error=""/>
      </spin_system>
      <average_distance value="2.53148364068" error="0.0824843811119"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.50406947699" error="0.0844586750736"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="175930.82198" error=""/>
    </analysis>
  </peak>
  <peak id="1" weight="1.0" distance="2.44116491107" lower_bound="1.69625414569" upper_bound="3.18607567645" 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="51" name="H"/>
        <chemical_shift value="8.558" error=""/>
      </spin_system>
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="50" name="H"/>
        <chemical_shift value="8.625" error=""/>
      </spin_system>
      <average_distance value="2.66087439049" error="0.0436240496278"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.62423043561" error="0.0743294288777"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="130342.674664" error=""/>
    </analysis>
  </peak>
  <peak id="2" weight="1.0" distance="3.91984852116" lower_bound="1.99919696756" upper_bound="5.84050007477" active="1" merged="0">
    <reference_peak spectrum="noesy" number="3"/>
    <contribution id="2" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
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        <chemical_shift value="8.159" error=""/>
      </spin_system>
      <spin_system averaging_method="NONE">
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        <chemical_shift value="8.624" error=""/>
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      <average_distance value="4.04398240445" error="0.145442535948"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="3.96824775415" error="0.093085765156"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="25089.1265405" error=""/>
    </analysis>
  </peak>
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    <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="8.452" error=""/>
      </spin_system>
      <spin_system averaging_method="NONE">
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        <chemical_shift value="8.559" error=""/>
      </spin_system>
      <average_distance value="4.31456504097" error="0.0601464199075"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="4.28597506049" error="0.0824323063853"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="7019.60846495" error=""/>
    </analysis>
  </peak>
  <peak id="5" weight="1.0" distance="2.58860589833" lower_bound="1.75099583622" upper_bound="3.42621596043" active="1" merged="0">
    <reference_peak spectrum="noesy" number="6"/>
    <contribution id="5" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="46" name="H"/>
        <chemical_shift value="8.245" error=""/>
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      <spin_system averaging_method="NONE">
        <atom segid="    " residue="47" name="H"/>
        <chemical_shift value="8.557" error=""/>
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      <average_distance value="2.68386428826" error="0.0389879799665"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.6841130799" error="0.0445955428849"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="121565.196417" error=""/>
    </analysis>
  </peak>
  <peak id="6" weight="1.0" distance="2.67085143514" lower_bound="1.77917051157" upper_bound="3.56253235871" 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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      <spin_system averaging_method="NONE">
        <atom segid="    " residue="47" name="H"/>
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      </spin_system>
      <average_distance value="2.53888913615" error="0.0739117497894"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.53830370647" error="0.0743819709879"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="210613.874942" error=""/>
    </analysis>
  </peak>
  <peak id="7" weight="1.0" distance="2.55474828883" lower_bound="1.73890593642" upper_bound="3.37059064124" active="1" merged="0">
    <reference_peak spectrum="noesy" number="8"/>
    <contribution id="7" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="53" name="H"/>
        <chemical_shift value="8.207" error=""/>
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      <spin_system averaging_method="NONE">
        <atom segid="    " residue="52" name="H"/>
        <chemical_shift value="8.541" error=""/>
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      <average_distance value="2.46024099269" error="0.112495781588"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.44602872295" error="0.0834202202757"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="266930.659986" error=""/>
    </analysis>
  </peak>
  <peak id="9" weight="1.0" distance="2.69054948492" lower_bound="1.78566741857" upper_bound="3.59543155127" 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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      <spin_system averaging_method="NONE">
        <atom segid="    " residue="49" name="H"/>
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      </spin_system>
      <average_distance value="2.3458071104" error="0.135118470039"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.30736628062" error="0.0474502182399"/>
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      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="338079.290203" error=""/>
    </analysis>
  </peak>
  <peak id="10" weight="1.0" distance="2.2871828622" lower_bound="1.63328218156" upper_bound="2.94108354284" active="1" merged="0">
    <reference_peak spectrum="noesy" number="11"/>
    <contribution id="10" weight="0.614868201727" figure_of_merit="">
      <spin_system averaging_method="NONE">
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      <spin_system averaging_method="NONE">
        <atom segid="    " residue="45" name="H"/>
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      </spin_system>
      <average_distance value="2.63259716189" error="0.0178245270337"/>
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      <spin_system averaging_method="NONE">
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      <spin_system averaging_method="NONE">
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    <contribution id="12" weight="0.0" figure_of_merit="">
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    <analysis degree_of_violation="0.0" violated="0">
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    </analysis>
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    <analysis degree_of_violation="0.0" violated="0">
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