NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type
516143 1p5p cing 3-converted-DOCR XPLOR/CNS dipolar coupling


 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 29   and name N1  )
         (segid "   A" and resid 29   and name H1  )  8.0000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 33   and name N1  )
         (segid "   A" and resid 33   and name H1  ) 15.6000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 35   and name N1  )
         (segid "   A" and resid 35   and name H1  ) 18.6000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 36   and name N3  )
         (segid "   A" and resid 36   and name H3  ) 15.0000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 45   and name N1  )
         (segid "   A" and resid 45   and name H1  ) 15.0000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 46   and name N1  )
         (segid "   A" and resid 46   and name H1  ) 17.6000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 48   and name N1  )
         (segid "   A" and resid 48   and name H1  ) 17.6000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 49   and name N3  )
         (segid "   A" and resid 49   and name H3  ) 14.6000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 50   and name N3  )
         (segid "   A" and resid 50   and name H3  )  9.0000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 52   and name N1  )
         (segid "   A" and resid 52   and name H1  )  4.6000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 53   and name N3  )
         (segid "   A" and resid 53   and name H3  )  1.0000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 55   and name N3  )
         (segid "   A" and resid 55   and name H3  ) -1.4000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 28   and name C1' )
         (segid "   A" and resid 28   and name H1' )  3.3000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 30   and name C1' )
         (segid "   A" and resid 30   and name H1' ) -1.0000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 31   and name C1' )
         (segid "   A" and resid 31   and name H1' )  0.8000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 32   and name C1' )
         (segid "   A" and resid 32   and name H1' ) -11.0000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 33   and name C1' )
         (segid "   A" and resid 33   and name H1' ) -23.8000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 37   and name C1' )
         (segid "   A" and resid 37   and name H1' ) -4.8000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 39   and name C1' )
         (segid "   A" and resid 39   and name H1' ) -12.2000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 42   and name C1' )
         (segid "   A" and resid 42   and name H1' ) -3.0000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 43   and name C1' )
         (segid "   A" and resid 43   and name H1' )  1.8000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 44   and name C1' )
         (segid "   A" and resid 44   and name H1' ) 10.0000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 45   and name C1' )
         (segid "   A" and resid 45   and name H1' ) -15.5000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 46   and name C1' )
         (segid "   A" and resid 46   and name H1' ) -15.4000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 47   and name C1' )
         (segid "   A" and resid 47   and name H1' ) -6.3000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 48   and name C1' )
         (segid "   A" and resid 48   and name H1' ) -1.4000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 49   and name C1' )
         (segid "   A" and resid 49   and name H1' ) -11.0000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 50   and name C1' )
         (segid "   A" and resid 50   and name H1' ) -10.3000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 51   and name C1' )
         (segid "   A" and resid 51   and name H1' )  9.5000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 52   and name C1' )
         (segid "   A" and resid 52   and name H1' ) 13.3000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 53   and name C1' )
         (segid "   A" and resid 53   and name H1' ) -19.0000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 55   and name C1' )
         (segid "   A" and resid 55   and name H1' ) -18.3000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 30   and name C2' )
         (segid "   A" and resid 30   and name H2' ) 10.5000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 33   and name C2' )
         (segid "   A" and resid 33   and name H2' )  9.7000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 40   and name C2' )
         (segid "   A" and resid 40   and name H2' ) 13.4000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 51   and name C2' )
         (segid "   A" and resid 51   and name H2' ) -1.0000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 55   and name C2' )
         (segid "   A" and resid 55   and name H2' )  5.3000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 28   and name C3' )
         (segid "   A" and resid 28   and name H3' )  7.6000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 29   and name C3' )
         (segid "   A" and resid 29   and name H3' )  8.0000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 32   and name C3' )
         (segid "   A" and resid 32   and name H3' )  8.5000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 48   and name C3' )
         (segid "   A" and resid 48   and name H3' )  8.3000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 51   and name C3' )
         (segid "   A" and resid 51   and name H3' )  2.3000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 53   and name C3' )
         (segid "   A" and resid 53   and name H3' ) 11.5000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 29   and name C4' )
         (segid "   A" and resid 29   and name H4' )  9.3000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 38   and name C4' )
         (segid "   A" and resid 38   and name H4' ) 13.5000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 39   and name C4' )
         (segid "   A" and resid 39   and name H4' )  8.5000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 40   and name C4' )
         (segid "   A" and resid 40   and name H4' )  8.8000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 41   and name C4' )
         (segid "   A" and resid 41   and name H4' )  4.8000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 42   and name C4' )
         (segid "   A" and resid 42   and name H4' )  6.5000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 52   and name C4' )
         (segid "   A" and resid 52   and name H4' ) 10.3000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 36   and name C5  )
         (segid "   A" and resid 36   and name H5  ) 18.8000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 38   and name C5  )
         (segid "   A" and resid 38   and name H5  ) 15.5000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 44   and name C5  )
         (segid "   A" and resid 44   and name H5  )  3.0000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 49   and name C5  )
         (segid "   A" and resid 49   and name H5  ) 12.9000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 53   and name C5  )
         (segid "   A" and resid 53   and name H5  ) 15.8000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 55   and name C5  )
         (segid "   A" and resid 55   and name H5  )  9.0000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 36   and name C6  )
         (segid "   A" and resid 36   and name H6  ) 13.3000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 37   and name C6  )
         (segid "   A" and resid 37   and name H6  ) 12.0000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 38   and name C6  )
         (segid "   A" and resid 38   and name H6  )  9.3000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 41   and name C6  )
         (segid "   A" and resid 41   and name H6  )  2.5000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 42   and name C6  )
         (segid "   A" and resid 42   and name H6  )  9.5000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 44   and name C6  )
         (segid "   A" and resid 44   and name H6  )  4.8000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 49   and name C6  )
         (segid "   A" and resid 49   and name H6  ) 13.0000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 50   and name C6  )
         (segid "   A" and resid 50   and name H6  )  9.2000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 53   and name C6  )
         (segid "   A" and resid 53   and name H6  ) -2.0000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 55   and name C6  )
         (segid "   A" and resid 55   and name H6  ) 13.1000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 28   and name C8  )
         (segid "   A" and resid 28   and name H8  ) 11.0000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 29   and name C8  )
         (segid "   A" and resid 29   and name H8  ) 10.5000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 30   and name C8  )
         (segid "   A" and resid 30   and name H8  ) 16.5000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 31   and name C8  )
         (segid "   A" and resid 31   and name H8  ) 14.3000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 32   and name C8  )
         (segid "   A" and resid 32   and name H8  )  3.2000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 33   and name C8  )
         (segid "   A" and resid 33   and name H8  )  7.3000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 35   and name C8  )
         (segid "   A" and resid 35   and name H8  ) 18.8000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 39   and name C8  )
         (segid "   A" and resid 39   and name H8  )  8.5000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 40   and name C8  )
         (segid "   A" and resid 40   and name H8  ) -1.1000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 43   and name C8  )
         (segid "   A" and resid 43   and name H8  ) 13.5000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 45   and name C8  )
         (segid "   A" and resid 45   and name H8  ) 12.5000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 46   and name C8  )
         (segid "   A" and resid 46   and name H8  ) 13.5000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 51   and name C8  )
         (segid "   A" and resid 51   and name H8  ) 14.8000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 52   and name C8  )
         (segid "   A" and resid 52   and name H8  )  2.5000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 54   and name C8  )
         (segid "   A" and resid 54   and name H8  )  8.5000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 28   and name C2  )
         (segid "   A" and resid 28   and name H2  )  5.8000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 30   and name C2  )
         (segid "   A" and resid 30   and name H2  ) 10.0000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 31   and name C2  )
         (segid "   A" and resid 31   and name H2  ) 18.5000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 32   and name C2  )
         (segid "   A" and resid 32   and name H2  ) 13.8000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 39   and name C2  )
         (segid "   A" and resid 39   and name H2  ) 11.3000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 43   and name C2  )
         (segid "   A" and resid 43   and name H2  ) 12.8000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 51   and name C2  )
         (segid "   A" and resid 51   and name H2  ) 19.0000  1.0000

 ASSIGN  (resid 999  and name OO  )
         (resid 999  and name Z   )
         (resid 999  and name X   )
         (resid 999  and name Y   )
         (segid "   A" and resid 54   and name C2  )
         (segid "   A" and resid 54   and name H2  )  5.0000  1.0000



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