Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
653871 | 7asy RC | 34567 | cing | 1-original | 1 | unknown | distance | NOE | simple |
# Restraints file 1: TNFA_TM_WT_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="41" name="H"/>
<chemical_shift value="7.891" error=""/>
</spin_system>
<spin_system averaging_method="NONE">
<atom segid=" " residue="42" name="H"/>
<chemical_shift value="8.972" error=""/>
</spin_system>
<average_distance value="2.54211104256" error="0.0738504698805"/>
</contribution>
<analysis degree_of_violation="0.0" violated="0">
<figure_of_merit value="" error=""/>
<average_distance value="2.54209333562" error="0.0893513053345"/>
<lower_bound_violation value="0.0" error="0.0"/>
<upper_bound_violation value="0.0" error="0.0"/>
<model_peak_size value="3199113.55471" error=""/>
</analysis>
</peak>
<peak id="1" weight="1.0" distance="4.16803671557" lower_bound="1.99647045778" upper_bound="6.33960297337" 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="41" name="H"/>
<chemical_shift value="7.88" error=""/>
</spin_system>
<spin_system averaging_method="NONE">
<atom segid=" " residue="39" name="H"/>
<chemical_shift value="8.196" error=""/>
</spin_system>
<average_distance value="4.41102332898" error="0.151513040014"/>
</contribution>
<analysis degree_of_violation="0.0" violated="0">
<figure_of_merit value="" error=""/>
<average_distance value="4.44603003809" error="0.109777048804"/>
<lower_bound_violation value="0.0" error="0.0"/>
<upper_bound_violation value="0.0" error="0.0"/>
<model_peak_size value="242655.544467" error=""/>
</analysis>
</peak>
<peak id="2" weight="1.0" distance="2.7526000303" lower_bound="1.80549916445" upper_bound="3.69970089615" active="1" merged="0">
<reference_peak spectrum="noesy" number="4"/>
<contribution id="2" weight="1.0" figure_of_merit="">
<spin_system averaging_method="NONE">
<atom segid=" " residue="41" name="H"/>
<chemical_shift value="7.883" error=""/>
</spin_system>
<spin_system averaging_method="NONE">
<atom segid=" " residue="40" name="H"/>
<chemical_shift value="8.018" error=""/>
</spin_system>
<average_distance value="2.61629211454" error="0.0952568351764"/>
</contribution>
<analysis degree_of_violation="0.0" violated="0">
<figure_of_merit value="" error=""/>
<average_distance value="2.53535884182" error="0.0580248878448"/>
<lower_bound_violation value="0.0" error="0.0"/>
<upper_bound_violation value="0.0" error="0.0"/>
<model_peak_size value="2888393.59149" error=""/>
</analysis>
</peak>
<peak id="7" weight="1.0" distance="2.55228795109" lower_bound="1.73801622793" upper_bound="3.36655967425" active="1" merged="0">
<reference_peak spectrum="noesy" number="14"/>
<contribution id="7" weight="1.0" figure_of_merit="">
<spin_system averaging_method="NONE">
<atom segid=" " residue="41" name="H"/>
<chemical_shift value="7.888" error=""/>
</spin_system>
<spin_system averaging_method="NONE">
<atom segid=" " residue="41" name="HB"/>
<chemical_shift value="2.111" error=""/>
</spin_system>
<average_distance value="2.39476690426" error="0.0504967352591"/>
</contribution>
<analysis degree_of_violation="0.0" violated="0">
<figure_of_merit value="" error=""/>
<average_distance value="2.41129217111" error="0.0368833942214"/>
<lower_bound_violation value="0.0" error="0.0"/>
<upper_bound_violation value="0.0" error="0.0"/>
<model_peak_size value="4227848.6363" error=""/>
</analysis>
</peak>
<peak id="8" weight="1.0" distance="2.69453619236" lower_bound="1.78697053087" upper_bound="3.60210185386" active="1" merged="0">
<reference_peak spectrum="noesy" number="15"/>
<contribution id="8" weight="1.0" figure_of_merit="">
<spin_system averaging_method="NONE">
<atom segid=" " residue="41" name="H"/>
<chemical_shift value="7.886" error=""/>
</spin_system>
<spin_system averaging_method="NONE">
<atom segid=" " residue="40" name="HB"/>
<chemical_shift value="1.977" error=""/>
</spin_system>
<average_distance value="2.46536650241" error="0.0986728182565"/>
</contribution>
<analysis degree_of_violation="0.0" violated="0">
<figure_of_merit value="" error=""/>
<average_distance value="2.43932941367" error="0.112196780163"/>
<lower_bound_violation value="0.0" error="0.0"/>
<upper_bound_violation value="0.0" error="0.0"/>
<model_peak_size value="3564317.0426" error=""/>
</analysis>
</peak>
<peak id="9" weight="1.0" distance="3.79923179989" lower_bound="1.99496151623" upper_bound="5.60350208356" active="1" merged="0">
<reference_peak spectrum="noesy" number="16"/>
<contribution id="9" weight="1.0" figure_of_merit="">
<spin_system averaging_method="NONE">
<atom segid=" " residue="34" name="H"/>
<chemical_shift value="7.88" error=""/>
</spin_system>
<spin_system averaging_method="NONE">
<atom segid=" " residue="33" name="HB2"/>
<chemical_shift value="1.816" error=""/>
</spin_system>
<average_distance value="3.38189689171" error="0.113443998795"/>
</contribution>
<analysis degree_of_violation="0.0" violated="0">
<figure_of_merit value="" error=""/>
<average_distance value="3.44765573486" error="0.119695156133"/>
<lower_bound_violation value="0.0" error="0.0"/>
<upper_bound_violation value="0.0" error="0.0"/>
<model_peak_size value="1825476.90997" error=""/>
</analysis>
</peak>
<peak id="10" weight="1.0" distance="4.1035040719" lower_bound="1.99866086339" upper_bound="6.20834728042" active="1" merged="0">
<reference_peak spectrum="noesy" number="17"/>
<contribution id="10" weight="1.0" figure_of_merit="">
<spin_system averaging_method="NONE">
<atom segid=" " residue="41" name="H"/>
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<spin_system averaging_method="NONE">
<atom segid=" " residue="40" name="HG12"/>
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</spin_system>
<average_distance value="4.94784311666" error="0.0524524139515"/>
</contribution>
<analysis degree_of_violation="0.0" violated="0">
<figure_of_merit value="" error=""/>
<average_distance value="4.93198099777" error="0.0575580957143"/>
<lower_bound_violation value="0.0" error="0.0"/>
<upper_bound_violation value="0.0" error="0.0"/>
<model_peak_size value="215776.133204" error=""/>
</analysis>
</peak>
<peak id="14" weight="1.0" distance="2.90313726988" lower_bound="1.84961151891" upper_bound="3.95666302085" active="1" merged="0">
<reference_peak spectrum="noesy" number="21"/>
<contribution id="14" weight="1.0" figure_of_merit="">
<spin_system averaging_method="NONE">
<atom segid=" " residue="41" name="H"/>
<chemical_shift value="7.886" error=""/>
</spin_system>
<spin_system averaging_method="NONE">
<atom segid=" " residue="40" name="HG21"/>
<atom segid=" " residue="40" name="HG22"/>
<atom segid=" " residue="40" name="HG23"/>
<chemical_shift value="0.859" error=""/>
</spin_system>
<average_distance value="3.25244861727" error="0.135531685347"/>
</contribution>
<analysis degree_of_violation="0.0" violated="0">
<figure_of_merit value="" error=""/>
<average_distance value="3.27138088052" error="0.0953467051561"/>
<lower_bound_violation value="0.0" error="0.0"/>
<upper_bound_violation value="0.0" error="0.0"/>
<model_peak_size value="231225.797507" error=""/>
</analysis>
</peak>
<peak id="20" weight="1.0" distance="2.69474867085" lower_bound="1.78703987097" upper_bound="3.60245747074" active="1" merged="0">
<reference_peak spectrum="noesy" number="32"/>
<contribution id="20" weight="1.0" figure_of_merit="">
<spin_system averaging_method="NONE">
<atom segid=" " residue="41" name="HA"/>
<chemical_shift value="3.664" error=""/>
</spin_system>
<spin_system averaging_method="NONE">
<atom segid=" " residue="41" name="H"/>
<chemical_shift value="7.887" error=""/>
</spin_system>
<average_distance value="2.83722192599" error="0.0211558792903"/>
</contribution>
<analysis degree_of_violation="0.0" violated="0">
<figure_of_merit value="" error=""/>
<average_distance value="2.83578213398" error="0.0259217165463"/>
<lower_bound_violation value="0.0" error="0.0"/>
<upper_bound_violation value="0.0" error="0.0"/>
<model_peak_size value="1903120.0398" error=""/>
</analysis>
</peak>
<peak id="21" weight="1.0" distance="2.67273073686" lower_bound="1.77979453789" upper_bound="3.56566693583" active="1" merged="0">
<reference_peak spectrum="noesy" number="35"/>
<contribution id="21" weight="1.0" figure_of_merit="">
<spin_system averaging_method="NONE">
<atom segid=" " residue="41" name="HA"/>
<chemical_shift value="3.664" error=""/>
</spin_system>
<spin_system averaging_method="NONE">
<atom segid=" " residue="41" name="HB"/>
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<average_distance value="2.569613238" error="0.047322044515"/>
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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="3081993.61267" error=""/>
</analysis>
</peak>
<peak id="30" weight="1.0" distance="3.78072819765" lower_bound="1.99398998459" upper_bound="5.56746641072" active="1" merged="0">
<reference_peak spectrum="noesy" number="53"/>
<contribution id="30" weight="1.0" figure_of_merit="">
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<atom segid=" " residue="41" name="HB"/>
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<spin_system averaging_method="NONE">
<atom segid=" " residue="42" name="HB1"/>
<atom segid=" " residue="42" name="HB2"/>
<atom segid=" " residue="42" name="HB3"/>
<chemical_shift value="1.165" error=""/>
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<analysis degree_of_violation="0.0" violated="0">
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<peak id="34" weight="1.0" distance="2.10633219984" lower_bound="1.55175278283" upper_bound="2.66091161685" active="1" merged="0">
<reference_peak spectrum="noesy" number="58"/>
<contribution id="34" weight="1.0" figure_of_merit="">
<spin_system averaging_method="NONE">
<atom segid=" " residue="41" name="HG11"/>
<atom segid=" " residue="41" name="HG12"/>
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<spin_system averaging_method="NONE">
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<analysis degree_of_violation="0.0" violated="0">
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