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
596759 2n1k RC 25564 cing 1-original 1 XML peak


<!DOCTYPE spectrum SYSTEM "noesy_spectrum1.0.dtd">
<spectrum name="Expt_1">
  <peak number="1" reliable="yes" ambiguity="">
    <volume value="3519844.75" error=""/>
    <intensity value="6247.79589844" error=""/>
    <proton1>
      <shift value="2.87540566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="44" name="HB2"/>
      </assignment>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="44" name="HB3"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="6.78" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="44" name="HD1"/>
        <atom segid="   A" residue="44" name="HD2"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="43.3735341466" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="44" name="CB"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="2" reliable="yes" ambiguity="">
    <volume value="1900719.25" error=""/>
    <intensity value="7461.01660156" error=""/>
    <proton1>
      <shift value="2.71540566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="40" name="HB3"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="6.848" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="40" name="HD1"/>
        <atom segid="   A" residue="40" name="HD2"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="43.3675341466" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="40" name="CB"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="4" reliable="yes" ambiguity="">
    <volume value="-282093.96875" error=""/>
    <intensity value="-14107.1591797" error=""/>
    <proton1>
      <shift value="4.34340566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="10" name="HA"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="1.75" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="10" name="HB3"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="62.6210771705" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="10" name="CA"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="5" reliable="yes" ambiguity="">
    <volume value="-272034.625" error=""/>
    <intensity value="-12755.8203125" error=""/>
    <proton1>
      <shift value="4.34340566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="10" name="HA"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="2.226" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="10" name="HB2"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="62.6210771705" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="10" name="CA"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="6" reliable="yes" ambiguity="">
    <volume value="305344.75" error=""/>
    <intensity value="2977.38256836" error=""/>
    <proton1>
      <shift value="2.22240566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="10" name="HB2"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="4.327" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="10" name="HA"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="31.4485341466" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="10" name="CB"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="7" reliable="yes" ambiguity="">
    <volume value="1063963.25" error=""/>
    <intensity value="6074.109375" error=""/>
    <proton1>
      <shift value="1.75440566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="10" name="HB3"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="4.327" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="10" name="HA"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="31.4485341466" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="10" name="CB"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="8" reliable="yes" ambiguity="">
    <volume value="-2244735.5" error=""/>
    <intensity value="-48030.8828125" error=""/>
    <proton1>
      <shift value="4.29940566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="9" name="HA"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="3.592" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="10" name="HD2"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="50.8580771705" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="9" name="CA"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="9" reliable="yes" ambiguity="">
    <volume value="-364373.5" error=""/>
    <intensity value="-23396.4394531" error=""/>
    <proton1>
      <shift value="4.29240566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="9" name="HA"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="1.37" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="9" name="HB2"/>
        <atom segid="   A" residue="9" name="HB3"/>
        <atom segid="   A" residue="9" name="HB1"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="50.8780771705" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="9" name="CA"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="10" reliable="yes" ambiguity="">
    <volume value="-1176546.125" error=""/>
    <intensity value="-15274.7509766" error=""/>
    <proton1>
      <shift value="3.71640566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="13" name="HD3"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="3.381" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="13" name="HD2"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="49.5730771705" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="13" name="CD"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="11" reliable="yes" ambiguity="">
    <volume value="-750920.0625" error=""/>
    <intensity value="-13706.1621094" error=""/>
    <proton1>
      <shift value="3.38740566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="13" name="HD2"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="3.71" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="13" name="HD3"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="49.5710771705" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="13" name="CD"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="12" reliable="yes" ambiguity="">
    <volume value="-570870.5" error=""/>
    <intensity value="-5154.31933594" error=""/>
    <proton1>
      <shift value="3.39440566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="13" name="HD2"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="1.298" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="12" name="HB2"/>
        <atom segid="   A" residue="12" name="HB1"/>
        <atom segid="   A" residue="12" name="HB3"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="49.5760771705" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="13" name="CD"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="13" reliable="yes" ambiguity="">
    <volume value="-301971.84375" error=""/>
    <intensity value="-5232.2421875" error=""/>
    <proton1>
      <shift value="3.71240566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="13" name="HD3"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="1.302" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="12" name="HB2"/>
        <atom segid="   A" residue="12" name="HB1"/>
        <atom segid="   A" residue="12" name="HB3"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="49.5970771705" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="13" name="CD"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="14" reliable="yes" ambiguity="">
    <volume value="56667.7226562" error=""/>
    <intensity value="1287.2598877" error=""/>
    <proton1>
      <shift value="2.41040566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="13" name="HB3"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="4.488" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="13" name="HA"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="31.5085341466" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="13" name="CB"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="15" reliable="yes" ambiguity="">
    <volume value="438186.625" error=""/>
    <intensity value="2864.89160156" error=""/>
    <proton1>
      <shift value="2.46740566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="13" name="HB2"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="4.488" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="13" name="HA"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="31.5085341466" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="13" name="CB"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="16" reliable="yes" ambiguity="">
    <volume value="1733843.75" error=""/>
    <intensity value="13108.7929688" error=""/>
    <proton1>
      <shift value="2.28440566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HB3"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="4.48" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HA"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="32.5485341466" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="CB"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="17" reliable="yes" ambiguity="">
    <volume value="1845048.25" error=""/>
    <intensity value="12176.0048828" error=""/>
    <proton1>
      <shift value="1.90440566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HB2"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="4.476" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HA"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="32.5485341466" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="CB"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="18" reliable="yes" ambiguity="">
    <volume value="-1305018.75" error=""/>
    <intensity value="-14810.1806641" error=""/>
    <proton1>
      <shift value="4.49340566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HA"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="2.278" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HB3"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="62.8470771705" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="CA"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="19" reliable="yes" ambiguity="">
    <volume value="-3276354.75" error=""/>
    <intensity value="-12936.6748047" error=""/>
    <proton1>
      <shift value="4.49340566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HA"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="1.887" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HB2"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="62.8470771705" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="CA"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="20" reliable="yes" ambiguity="">
    <volume value="5022114.5" error=""/>
    <intensity value="35487.6328125" error=""/>
    <proton1>
      <shift value="2.28840566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HB3"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="1.893" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HB2"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="32.5485341466" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="CB"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="21" reliable="yes" ambiguity="">
    <volume value="5150714.5" error=""/>
    <intensity value="34568.6679688" error=""/>
    <proton1>
      <shift value="1.90140566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HB2"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="2.297" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HB3"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="32.5485341466" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="CB"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="22" reliable="yes" ambiguity="">
    <volume value="204186.328125" error=""/>
    <intensity value="2457.85107422" error=""/>
    <proton1>
      <shift value="2.28840566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HB3"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="3.66" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HD3"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="32.5485341466" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="CB"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="23" reliable="yes" ambiguity="">
    <volume value="393668.25" error=""/>
    <intensity value="4352.90429688" error=""/>
    <proton1>
      <shift value="2.29240566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HB3"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="3.794" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HD2"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="32.5485341466" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="CB"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="24" reliable="yes" ambiguity="">
    <volume value="202537.671875" error=""/>
    <intensity value="2205.29052734" error=""/>
    <proton1>
      <shift value="1.90840566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HB2"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="3.664" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HD3"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="32.5485341466" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="CB"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="25" reliable="yes" ambiguity="">
    <volume value="1265946.75" error=""/>
    <intensity value="7008.12841797" error=""/>
    <proton1>
      <shift value="1.90840566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HB2"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="3.794" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HD2"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="32.5485341466" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="CB"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="26" reliable="yes" ambiguity="">
    <volume value="2761829.75" error=""/>
    <intensity value="30173.6503906" error=""/>
    <proton1>
      <shift value="1.90040566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HB2"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="2.028" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HG3"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="32.5485341466" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="CB"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="27" reliable="yes" ambiguity="">
    <volume value="3046998.25" error=""/>
    <intensity value="21992.1875" error=""/>
    <proton1>
      <shift value="2.28840566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HB3"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="2.024" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HG3"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="32.5485341466" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="CB"/>
      </assignment>
    </hetero1>
    <hetero2>
      <shift value="" error=""/>
    </hetero2>
  </peak>
  <peak number="28" reliable="yes" ambiguity="">
    <volume value="-776652.0" error=""/>
    <intensity value="-17025.40625" error=""/>
    <proton1>
      <shift value="4.49340566606" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HA"/>
      </assignment>
    </proton1>
    <proton2>
      <shift value="2.024" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="HG3"/>
      </assignment>
    </proton2>
    <hetero1>
      <shift value="62.8470771705" error=""/>
      <assignment assignment_type="manual">
        <atom segid="   A" residue="14" name="CA"/>
      </assignment>
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