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
653861 6yhp RC 34509 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>
  <peak id="0" weight="1.0" distance="2.62451698222" lower_bound="1.76350580847" upper_bound="3.48552815596" active="1" merged="0">
    <reference_peak spectrum="noesy" number="1"/>
    <contribution id="0" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="35" name="H"/>
        <chemical_shift value="8.238" error=""/>
      </spin_system>
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="36" name="H"/>
        <chemical_shift value="8.639" error=""/>
      </spin_system>
      <average_distance value="2.47033668235" error="0.0531252149483"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.47490907079" error="0.0433734250901"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="270056.744258" error=""/>
    </analysis>
  </peak>
  <peak id="2" weight="1.0" distance="2.61999143734" lower_bound="1.76194704587" upper_bound="3.47803582881" active="1" merged="0">
    <reference_peak spectrum="noesy" number="3"/>
    <contribution id="2" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="51" name="H"/>
        <chemical_shift value="8.536" error=""/>
      </spin_system>
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="50" name="H"/>
        <chemical_shift value="8.634" error=""/>
      </spin_system>
      <average_distance value="2.59801222506" error="0.0874064728678"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.59144676598" error="0.120493979249"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="201954.399461" error=""/>
    </analysis>
  </peak>
  <peak id="3" weight="1.0" distance="2.75399421151" lower_bound="1.80593369688" upper_bound="3.70205472614" active="1" merged="0">
    <reference_peak spectrum="noesy" number="4"/>
    <contribution id="3" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="49" name="H"/>
        <chemical_shift value="8.476" error=""/>
      </spin_system>
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="50" name="H"/>
        <chemical_shift value="8.634" error=""/>
      </spin_system>
      <average_distance value="2.54794939162" error="0.068675910459"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.5842643552" error="0.0866368247529"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="219726.567037" error=""/>
    </analysis>
  </peak>
  <peak id="4" weight="1.0" distance="2.7545127513" lower_bound="1.80609518917" upper_bound="3.70293031344" 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="46" name="H"/>
        <chemical_shift value="8.174" error=""/>
      </spin_system>
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="47" name="H"/>
        <chemical_shift value="8.559" error=""/>
      </spin_system>
      <average_distance value="2.61978591874" error="0.132615471593"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.62838032421" error="0.0945561450012"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="167396.050996" error=""/>
    </analysis>
  </peak>
  <peak id="5" weight="1.0" distance="2.83726282738" lower_bound="1.83100528343" upper_bound="3.84352037133" 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="48" name="H"/>
        <chemical_shift value="7.977" error=""/>
      </spin_system>
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="47" name="H"/>
        <chemical_shift value="8.558" error=""/>
      </spin_system>
      <average_distance value="2.54493351671" error="0.090425631318"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.49060002342" error="0.110097437037"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="247893.422048" error=""/>
    </analysis>
  </peak>
  <peak id="6" weight="1.0" distance="2.70163672625" lower_bound="1.78928160117" upper_bound="3.61399185132" active="1" merged="0">
    <reference_peak spectrum="noesy" number="7"/>
    <contribution id="6" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="53" name="H"/>
        <chemical_shift value="8.196" error=""/>
      </spin_system>
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="52" name="H"/>
        <chemical_shift value="8.54" error=""/>
      </spin_system>
      <average_distance value="2.59565556648" error="0.140527732324"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.53754928199" error="0.127474214022"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="240420.148671" error=""/>
    </analysis>
  </peak>
  <peak id="8" weight="1.0" distance="2.80417234502" lower_bound="1.82124952745" upper_bound="3.78709516259" active="1" merged="0">
    <reference_peak spectrum="noesy" number="9"/>
    <contribution id="8" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="44" name="H"/>
        <chemical_shift value="8.269" error=""/>
      </spin_system>
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="45" name="H"/>
        <chemical_shift value="8.512" error=""/>
      </spin_system>
      <average_distance value="2.4302759597" error="0.123214121267"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.37703398915" error="0.0973215745681"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="332274.735723" error=""/>
    </analysis>
  </peak>
  <peak id="9" weight="1.0" distance="2.74276057236" lower_bound="1.8024186277" upper_bound="3.68310251703" active="1" merged="0">
    <reference_peak spectrum="noesy" number="10"/>
    <contribution id="9" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="46" name="H"/>
        <chemical_shift value="8.175" error=""/>
      </spin_system>
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="45" name="H"/>
        <chemical_shift value="8.511" error=""/>
      </spin_system>
      <average_distance value="2.52089323281" error="0.158050709863"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.55699818379" error="0.140416066219"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="227093.194887" error=""/>
    </analysis>
  </peak>
  <peak id="11" weight="1.0" distance="2.86123541448" lower_bound="1.83790190235" upper_bound="3.88456892662" active="1" merged="0">
    <reference_peak spectrum="noesy" number="12"/>
    <contribution id="11" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="48" name="H"/>
        <chemical_shift value="7.977" error=""/>
      </spin_system>
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="49" name="H"/>
        <chemical_shift value="8.476" error=""/>
      </spin_system>
      <average_distance value="2.62361917392" error="0.105285335798"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.60150384328" error="0.110337298074"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="210462.189261" error=""/>
    </analysis>
  </peak>
  <peak id="12" weight="1.0" distance="2.81260572811" lower_bound="1.82376185539" upper_bound="3.80144960084" 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="43" name="H"/>
        <chemical_shift value="8.077" error=""/>
      </spin_system>
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="44" name="H"/>
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      </spin_system>
      <average_distance value="2.46770694722" error="0.112285320028"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.50996621458" error="0.128822405948"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="324673.39142" error=""/>
    </analysis>
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    <reference_peak spectrum="noesy" number="15"/>
    <contribution id="14" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="41" name="H"/>
        <chemical_shift value="8.213" error=""/>
      </spin_system>
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="40" name="H"/>
        <chemical_shift value="8.268" error=""/>
      </spin_system>
      <average_distance value="2.71086978804" error="0.124491596738"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
      <average_distance value="2.62017994316" error="0.106988024248"/>
      <lower_bound_violation value="0.0" error="0.0"/>
      <upper_bound_violation value="0.0" error="0.0"/>
      <model_peak_size value="158668.866747" error=""/>
    </analysis>
  </peak>
  <peak id="16" weight="1.0" distance="2.54903082728" lower_bound="1.73683605748" upper_bound="3.36122559709" active="1" merged="0">
    <reference_peak spectrum="noesy" number="17"/>
    <contribution id="24" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
        <atom segid="    " residue="39" name="H"/>
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      <spin_system averaging_method="NONE">
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      </spin_system>
      <average_distance value="2.57522562002" error="0.0647354129289"/>
    </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="184902.308728" error=""/>
    </analysis>
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  <peak id="17" weight="1.0" distance="3.68257938234" lower_bound="1.98740551894" upper_bound="5.37775324574" active="1" merged="0">
    <reference_peak spectrum="noesy" number="18"/>
    <contribution id="25" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
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        <chemical_shift value="7.899" error=""/>
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      <spin_system averaging_method="NONE">
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      <average_distance value="3.88609558962" error="0.155486054346"/>
    </contribution>
    <analysis degree_of_violation="0.0" violated="0">
      <figure_of_merit value="" error=""/>
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    </analysis>
  </peak>
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    <contribution id="26" weight="1.0" figure_of_merit="">
      <spin_system averaging_method="NONE">
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