Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
653846 | 6yhf RC | 34506 | 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="4" weight="1.0" figure_of_merit="">
<spin_system averaging_method="NONE">
<atom segid=" " residue="36" name="H"/>
<chemical_shift value="8.627" error=""/>
</spin_system>
<spin_system averaging_method="NONE">
<atom segid=" " residue="37" name="H"/>
<chemical_shift value="8.152" error=""/>
</spin_system>
<average_distance value="2.49713857023" error="0.133776385338"/>
</contribution>
<analysis degree_of_violation="0.0" violated="0">
<figure_of_merit value="" error=""/>
<average_distance value="2.61352378772" error="0.128313395196"/>
<lower_bound_violation value="0.0" error="0.0"/>
<upper_bound_violation value="0.0" error="0.0"/>
<model_peak_size value="296865.001351" error=""/>
</analysis>
</peak>
<peak id="6" weight="1.0" distance="2.71138851689" lower_bound="1.7924350557" upper_bound="3.63034197808" active="1" merged="0">
<reference_peak spectrum="noesy" number="7"/>
<contribution id="7" weight="1.0" figure_of_merit="">
<spin_system averaging_method="NONE">
<atom segid=" " residue="45" name="H"/>
<chemical_shift value="8.479" error=""/>
</spin_system>
<spin_system averaging_method="NONE">
<atom segid=" " residue="44" name="H"/>
<chemical_shift value="8.266" error=""/>
</spin_system>
<average_distance value="2.43258742857" error="0.129714311972"/>
</contribution>
<analysis degree_of_violation="0.0" violated="0">
<figure_of_merit value="" error=""/>
<average_distance value="2.46124491068" error="0.105302269901"/>
<lower_bound_violation value="0.0" error="0.0"/>
<upper_bound_violation value="0.0" error="0.0"/>
<model_peak_size value="306611.352024" error=""/>
</analysis>
</peak>
<peak id="10" weight="1.0" distance="2.63275003401" lower_bound="1.76632844131" upper_bound="3.49917162671" active="1" merged="0">
<reference_peak spectrum="noesy" number="11"/>
<contribution id="11" weight="1.0" figure_of_merit="">
<spin_system averaging_method="NONE">
<atom segid=" " residue="54" name="H"/>
<chemical_shift value="8.245" error=""/>
</spin_system>
<spin_system averaging_method="NONE">
<atom segid=" " residue="53" name="H"/>
<chemical_shift value="8.195" error=""/>
</spin_system>
<average_distance value="2.48845002188" error="0.0940987250826"/>
</contribution>
<analysis degree_of_violation="0.0" violated="0">
<figure_of_merit value="" error=""/>
<average_distance value="2.5442991903" error="0.106010824929"/>
<lower_bound_violation value="0.0" error="0.0"/>
<upper_bound_violation value="0.0" error="0.0"/>
<model_peak_size value="321018.468345" error=""/>
</analysis>
</peak>
<peak id="13" weight="1.0" distance="2.8487946172" lower_bound="1.83434077083" upper_bound="3.86324846357" active="1" merged="0">
<reference_peak spectrum="noesy" number="14"/>
<contribution id="14" weight="1.0" figure_of_merit="">
<spin_system averaging_method="NONE">
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<chemical_shift value="8.243" error=""/>
</spin_system>
<spin_system averaging_method="NONE">
<atom segid=" " residue="55" name="H"/>
<chemical_shift value="8.021" error=""/>
</spin_system>
<average_distance value="2.46470869155" error="0.161505139604"/>
</contribution>
<analysis degree_of_violation="0.0" violated="0">
<figure_of_merit value="" error=""/>
<average_distance value="2.41189237323" error="0.146513264861"/>
<lower_bound_violation value="0.0" error="0.0"/>
<upper_bound_violation value="0.0" error="0.0"/>
<model_peak_size value="385075.410956" error=""/>
</analysis>
</peak>
<peak id="15" weight="1.0" distance="2.67984462478" lower_bound="1.78214872316" upper_bound="3.5775405264" active="1" merged="0">
<reference_peak spectrum="noesy" number="16"/>
<contribution id="16" weight="1.0" figure_of_merit="">
<spin_system averaging_method="NONE">
<atom segid=" " residue="35" name="H"/>
<chemical_shift value="8.236" error=""/>
</spin_system>
<spin_system averaging_method="NONE">
<atom segid=" " residue="34" name="H"/>
<chemical_shift value="7.875" error=""/>
</spin_system>
<average_distance value="2.43491853437" error="0.130476126055"/>
</contribution>
<analysis degree_of_violation="0.0" violated="0">
<figure_of_merit value="" error=""/>
<average_distance value="2.42453716764" error="0.110782255501"/>
<lower_bound_violation value="0.0" error="0.0"/>
<upper_bound_violation value="0.0" error="0.0"/>
<model_peak_size value="376246.036217" error=""/>
</analysis>
</peak>
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<reference_peak spectrum="noesy" number="17"/>
<contribution id="17" weight="0.0" figure_of_merit="">
<spin_system averaging_method="NONE">
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</spin_system>
<spin_system averaging_method="NONE">
<atom segid=" " residue="32" name="H"/>
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</spin_system>
<average_distance value="8.419691786" error="0.390880544733"/>
</contribution>
<contribution id="18" weight="0.0" figure_of_merit="">
<spin_system averaging_method="NONE">
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</spin_system>
<spin_system averaging_method="NONE">
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</spin_system>
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</contribution>
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<spin_system averaging_method="NONE">
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</spin_system>
<spin_system averaging_method="NONE">
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</spin_system>
<average_distance value="2.59416206349" error="0.11070254322"/>
</contribution>
<contribution id="20" weight="0.0" figure_of_merit="">
<spin_system averaging_method="NONE">
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</spin_system>
<spin_system averaging_method="NONE">
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</spin_system>
<average_distance value="8.95338940914" error="0.200584403593"/>
</contribution>
<contribution id="21" weight="0.0" figure_of_merit="">
<spin_system averaging_method="NONE">
<atom segid=" " residue="41" name="H"/>
<chemical_shift value="8.153" error="0.002"/>
</spin_system>
<spin_system averaging_method="NONE">
<atom segid=" " residue="32" name="H"/>
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</spin_system>
<average_distance value="15.0632612488" error="0.346955533021"/>
</contribution>
<contribution id="22" weight="0.0" figure_of_merit="">
<spin_system averaging_method="NONE">
<atom segid=" " residue="41" name="H"/>
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</spin_system>
<spin_system averaging_method="NONE">
<atom segid=" " residue="34" name="H"/>
<chemical_shift value="7.875" error="0.002"/>
</spin_system>
<average_distance value="11.5292549185" error="0.270303586199"/>
</contribution>
<contribution id="23" weight="0.0" figure_of_merit="">
<spin_system averaging_method="NONE">
<atom segid=" " residue="41" name="H"/>
<chemical_shift value="8.153" error="0.002"/>
</spin_system>
<spin_system averaging_method="NONE">
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</spin_system>
<average_distance value="5.27640337136" error="0.211781034379"/>
</contribution>
<contribution id="24" weight="0.608082867357" figure_of_merit="">
<spin_system averaging_method="NONE">
<atom segid=" " residue="41" name="H"/>
<chemical_shift value="8.153" error="0.002"/>
</spin_system>
<spin_system averaging_method="NONE">
<atom segid=" " residue="42" name="H"/>
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</spin_system>
<average_distance value="2.39656936977" error="0.0848231405659"/>
</contribution>
<contribution id="25" weight="0.0" figure_of_merit="">
<spin_system averaging_method="NONE">
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<spin_system averaging_method="NONE">
<atom segid=" " residue="32" name="H"/>
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<average_distance value="25.6290145315" error="0.64837964842"/>
</contribution>
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<spin_system averaging_method="NONE">
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</contribution>
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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="691696.000917" error=""/>
</analysis>
</peak>
<peak id="17" weight="1.0" distance="2.54850122944" lower_bound="1.73664391488" upper_bound="3.360358544" active="1" merged="0">
<reference_peak spectrum="noesy" number="18"/>
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<average_distance value="2.54711785255" error="0.119793236022"/>
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<analysis degree_of_violation="0.0" violated="0">
<figure_of_merit value="" error=""/>
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</analysis>
</peak>
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