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
653876 7at7 RC 34568 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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    <contribution id="1" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="52" name="H"/>
        <chemical_shift value="7.818" error=""/>
      </spin_system>
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="51" name="H"/>
        <chemical_shift value="8.397" error=""/>
      </spin_system>
      <average_distance value="2.55743200223" error="0.127266210765"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.60104560938" error="0.0931701212181"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="1423072.36989" error=""/>
    </analysis>
  </peak>
  <peak id="4" weight="1.0" distance="2.5241118722" lower_bound="1.72771927928" upper_bound="3.32050446512" active="1" merged="0">
    <reference_peak spectrum="noesy" number="5"/>
    <contribution id="4" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="41" name="H"/>
        <chemical_shift value="7.822" error=""/>
      </spin_system>
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="40" name="H"/>
        <chemical_shift value="7.956" error=""/>
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      <average_distance value="2.42315783542" error="0.110240190521"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.39881823475" error="0.0960979579687"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="1852376.99699" error=""/>
    </analysis>
  </peak>
  <peak id="6" weight="1.0" distance="3.06911211572" lower_bound="1.89168096836" upper_bound="4.24654326308" active="1" merged="0">
    <reference_peak spectrum="noesy" number="8"/>
    <contribution id="6" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
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        <chemical_shift value="7.823" error=""/>
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      <spin_system averaging_method="NONE">
        <atom segid="    " residue="37" name="HA"/>
        <chemical_shift value="4.106" error=""/>
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      <average_distance value="4.13986089016" error="0.132496117636"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
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      <upper_bound_violation value="0.00860238012276" error="0.00413200447589"/>
      <model_peak_size value="103132.009783" error=""/>
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  </peak>
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    <reference_peak spectrum="noesy" number="10"/>
    <contribution id="8" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
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        <chemical_shift value="7.822" error=""/>
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      <spin_system averaging_method="NONE">
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        <chemical_shift value="3.792" error=""/>
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      <average_distance value="3.51029145098" error="0.0270949439855"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="3.49897733917" error="0.0260965805494"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="232487.303712" error=""/>
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  </peak>
  <peak id="9" weight="1.0" distance="2.51995099594" lower_bound="1.7261818682" upper_bound="3.31372012368" active="1" merged="0">
    <reference_peak spectrum="noesy" number="11"/>
    <contribution id="9" weight="1.0" figure_of_merit="">
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      <spin_system averaging_method="NONE">
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        <chemical_shift value="3.678" error=""/>
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      <average_distance value="2.87165666884" error="0.0210419713412"/>
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    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.87640151735" error="0.0240921689737"/>
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      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="712331.386299" error=""/>
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  </peak>
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    <reference_peak spectrum="noesy" number="12"/>
    <contribution id="10" weight="1.0" figure_of_merit="">
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        <atom segid="    " residue="52" name="H"/>
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      <spin_system averaging_method="NONE">
        <atom segid="    " residue="52" name="HB2"/>
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      <average_distance value="2.70225101725" error="0.464591319886"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
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      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="1042031.42701" error=""/>
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    <reference_peak spectrum="noesy" number="13"/>
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      <spin_system averaging_method="NONE">
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      <spin_system averaging_method="NONE">
        <atom segid="    " residue="52" name="HB3"/>
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      <average_distance value="2.87842230741" error="0.539021159806"/>
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    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.73620193024" error="0.442349822201"/>
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      <model_peak_size value="793938.049975" error=""/>
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    <contribution id="12" weight="1.0" figure_of_merit="">
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      <spin_system averaging_method="NONE">
        <atom segid="    " residue="41" name="HB"/>
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      <average_distance value="2.47111881718" error="0.0795486701395"/>
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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="1628340.86747" error=""/>
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  <peak id="13" weight="1.0" distance="2.588154529" lower_bound="1.75083654575" upper_bound="3.42547251225" active="1" merged="0">
    <reference_peak spectrum="noesy" number="15"/>
    <contribution id="13" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
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      <spin_system averaging_method="NONE">
        <atom segid="    " residue="40" name="HB"/>
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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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