NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
13367 1ull cing 1-original 8 XPLOR/CNS distance NOE simple


!  assign     (resid 1  and name Ha    and segid PEPT)
!             (resid 1  and name hn    and segid PEPT)  3.5   0.75  0.75  {* correct *}
  assign     (resid 1  and name ha    and segid PEPT)
             (resid 2  and name hn    and segid PEPT)  3.5   1.00  0.75
  assign     (resid 1  and name hb    and segid PEPT)
             (resid 2  and name hn    and segid PEPT)  3.5   1.00  0.75
  assign     (resid 1  and name Hb    and segid PEPT)
             (resid 3  and name hn    and segid PEPT)  3.5   0.75  0.75
  assign     (resid 1  and name hb    and segid PEPT)
             (resid 4  and name Hn    and segid PEPT)  4.5   1.00  1.00
  assign     (resid 1  and name Ha    and segid PEPT)
             (resid 3  and name hn    and segid PEPT)  4.5   1.00  1.00
  assign     (resid 1  and name Hg2#  and segid PEPT)
             (resid 2  and name hn    and segid PEPT)  3.5   1.00  1.00!e
  assign     (resid 1  and name Hg2#  and segid PEPT)
             (resid 3  and name hn    and segid PEPT)  3.5   1.00  1.00!o
  assign     (resid 1  and name Ha    and segid PEPT)
             (resid 1  and name hg2#  and segid PEPT)  3.5   1.00  1.00!o


  assign     (resid 2  and name Ha    and segid PEPT)
             (resid 2  and name hn    and segid PEPT)  3.5   1.5  0.75!o
  assign     (resid 2  and name ha    and segid PEPT)
             (resid 3  and name Hn    and segid PEPT)  3.5   0.75  0.75!o
 
  assign     (resid 2  and name Hn    and segid PEPT)
             (resid 3  and name hn    and segid PEPT)  3.5   1.00  0.75   {* new *}

  assign     (resid 2  and name Hn    and segid PEPT)
             (resid 4  and name hn    and segid PEPT)  4.5   1.00  1.00
  assign     (resid 2  and name Ha    and segid PEPT)
             (resid 4  and name hn    and segid PEPT)  4.5   1.00  1.00  
  assign     (resid 2  and name Hd#   and segid PEPT)
             (resid 2  and name he    and segid PEPT)  2.7   1.00  1.00
  assign     (resid 2  and name Ha    and segid PEPT)
             (resid 2  and name hd#   and segid PEPT)  3.5   1.00  1.00
  assign     (resid 2  and name Ha    and segid PEPT)
             (resid 5  and name hd#   and segid PEPT)  3.5   1.00  2.50

  assign     (resid 3  and name ha    and segid PEPT)
             (resid 3  and name Hn    and segid PEPT)  3.5   0.75  0.75!o
  assign     (resid 3  and name Hn    and segid PEPT)
             (resid 5  and name hn    and segid PEPT)  4.5   1.00  1.00!o
  assign     (resid 3  and name Hn    and segid PEPT)
             (resid 4  and name hn    and segid PEPT)  2.7   0.75  0.75!o
  assign     (resid 3  and name ha    and segid PEPT)
             (resid 4  and name Hn    and segid PEPT)  3.5   0.75  0.75!o
  assign     (resid 3  and name Ha    and segid PEPT)
             (resid 7  and name hn    and segid PEPT)  4.5   1.00  0.75
  assign     (resid 3  and name Ha    and segid PEPT)
             (resid 6  and name hn    and segid PEPT)  3.5   1.00  0.75!o
  assign     (resid 3  and name Ha    and segid PEPT)
             (resid 5  and name hn    and segid PEPT)  4.5   1.00  2.00!63
  assign     (resid 3  and name Hb#   and segid PEPT)
             (resid 4  and name hn    and segid PEPT)  4.5   1.500  1.00  
  assign     (resid 3  and name Hg#   and segid PEPT)
             (resid 4  and name hn    and segid PEPT)  4.5   1.00  1.00  
  assign     (resid 3  and name Hg#   and segid PEPT)
             (resid 6  and name hd#   and segid PEPT)  4.5   1.00  2.50!o
  assign     (resid 3  and name Hg#   and segid PEPT)
             (resid 3  and name hn    and segid PEPT)  4.5   1.00  1.00!o
  assign     (resid 3  and name Hb#   and segid PEPT)
             (resid 3  and name hn    and segid PEPT)  3.5   1.00  0.75!o

  assign     (resid 4  and name Ha    and segid PEPT)
             (resid 4  and name hn    and segid PEPT)  3.5   0.75  0.75!o
  assign     (resid 4  and name hb#   and segid PEPT)
             (resid 4  and name Hn    and segid PEPT)  3.5   0.75  0.75!o
  assign     (resid 4  and name Ha    and segid PEPT)
             (resid 5  and name hn    and segid PEPT)  3.5   0.75  1.00!o
  assign     (resid 4  and name Hn    and segid PEPT)
             (resid 5  and name hn    and segid PEPT)  2.7   0.75  0.75!o
  assign     (resid 4  and name hb#   and segid PEPT)
             (resid 5  and name Hn    and segid PEPT)  3.5   1.00  1.00!o
  assign     (resid 4  and name Ha    and segid PEPT)
             (resid 7  and name hn    and segid PEPT)  4.5   1.00  1.00!o
  assign     (resid 4  and name Ha    and segid PEPT)
             (resid 4  and name hb#   and segid PEPT)  3.5   1.00  1.00!o
  assign     (resid 4  and name Ha    and segid PEPT)
             (resid 7  and name hb1   and segid PEPT)  3.5   1.00  1.00!o
  assign     (resid 4  and name Ha    and segid PEPT)
             (resid 7  and name hb2   and segid PEPT)  3.5   1.00  1.00!o
 
  assign     (resid 5  and name Ha    and segid PEPT)
             (resid 6  and name hn    and segid PEPT)  3.5   0.75  0.75!o
  assign     (resid 5  and name Hn    and segid PEPT)
             (resid 6  and name hn    and segid PEPT)  2.7   0.75  0.75!o
  assign     (resid 5  and name Ha    and segid PEPT)
             (resid 5  and name hn    and segid PEPT)  2.7   0.75  0.75!o
  assign     (resid 5  and name Ha    and segid PEPT)
             (resid 7  and name hn    and segid PEPT)  4.5   1.00  1.00!o
  assign     (resid 5  and name Ha    and segid PEPT)
             (resid 8  and name hn    and segid PEPT)  3.5   0.75  0.75!o
  assign     (resid 5  and name Hn    and segid PEPT)
             (resid 7  and name hn    and segid PEPT)  4.5   1.00  1.00!o
  assign     (resid 5  and name Hd#   and segid PEPT)
             (resid 5  and name ha    and segid PEPT)  3.5   1.00  1.00!o

  assign     (resid 6  and name ha    and segid PEPT)
             (resid 6  and name Hn    and segid PEPT)  3.5   0.75  0.75
  assign     (resid 6  and name Ha    and segid PEPT)
             (resid 7  and name hn    and segid PEPT)  3.5   0.75  0.75
  assign     (resid 6  and name Hn    and segid PEPT)
             (resid 7  and name hn    and segid PEPT)  2.7   0.75  0.75
  assign     (resid 6  and name Hg#   and segid PEPT)
             (resid 7  and name hn    and segid PEPT)  4.5   1.00  2.00!o
  assign     (resid 6  and name Hd#   and segid PEPT)
             (resid 7  and name hn    and segid PEPT)  4.5   1.00  2.00!o
  assign     (resid 6  and name Hg#   and segid PEPT)
             (resid 6  and name hn    and segid PEPT)  3.5   1.00  1.00!o
  assign     (resid 6  and name Hd#   and segid PEPT)
             (resid 6  and name hn    and segid PEPT)  4.5   1.00  2.00!o

  assign     (resid 7  and name ha    and segid PEPT)
             (resid 7  and name Hn    and segid PEPT)  2.7   0.75  0.75
  assign     (resid 7  and name Ha    and segid PEPT)
             (resid 8  and name hn    and segid PEPT)  3.5   0.75  0.75!o
  assign     (resid 7  and name Hn    and segid PEPT)
             (resid 8  and name hn    and segid PEPT)  2.7   0.75  0.75!o
  assign     (resid 7  and name ha    and segid PEPT)
             (resid 10 and name Hn    and segid PEPT)  3.5   0.75  0.75
  assign     (resid 7  and name Hb#   and segid PEPT)
             (resid 7  and name hn    and segid PEPT)  3.5   1.00  1.00!o
  assign     (resid 7  and name Hb#   and segid PEPT)
             (resid 8  and name hn    and segid PEPT)  4.5   1.00  2.00!o
  assign     (resid 10 and name Hd#   and segid PEPT)
             (resid 7  and name ha    and segid PEPT)  3.5   1.00  1.50!o
  assign     (resid 10 and name Hb#   and segid PEPT)
             (resid 7  and name ha    and segid PEPT)  3.5   1.00  1.00!o
  assign     (resid 7  and name Hb#   and segid PEPT)
             (resid 7  and name ha    and segid PEPT)  2.7   1.00  1.00!o

  assign     (resid 8  and name Ha    and segid PEPT)
             (resid 8  and name hn    and segid PEPT)  3.5   0.75  0.75!o
  assign     (resid 8  and name Ha    and segid PEPT)
             (resid 9  and name hn    and segid PEPT)  3.5   0.75  0.75 
  assign     (resid 8  and name hn    and segid PEPT)
             (resid 9  and name Hn    and segid PEPT)  3.5   0.75  0.75!o
  assign     (resid 8  and name Ha    and segid PEPT)
             (resid 10 and name hn    and segid PEPT)  4.5   1.00  1.00!o
  assign     (resid 8  and name Hd#   and segid PEPT)
             (resid 8  and name hn    and segid PEPT)  4.5   1.00  2.50!o
  assign     (resid 8  and name Ha    and segid PEPT)
             (resid 11 and name hd#   and segid PEPT)  4.5   1.50  1.50!o
  assign     (resid 8  and name Ha    and segid PEPT)
             (resid 11 and name hg#   and segid PEPT)  4.5   1.00  2.00!o
  assign     (resid 8  and name Hd#   and segid PEPT)
             (resid 8  and name ha    and segid PEPT)  3.5   1.00  1.00!o
 
  assign     (resid 9  and name Ha    and segid PEPT)
             (resid 9  and name hn    and segid PEPT)  3.5   0.75  0.75
  assign     (resid 9  and name Hn    and segid PEPT)
             (resid 10 and name hn    and segid PEPT)  2.7   0.75  0.75
  assign     (resid 9  and name ha    and segid PEPT)
             (resid 10 and name Hn    and segid PEPT)  3.5   0.75  0.75
  assign     (resid 9  and name Hd#   and segid PEPT)
             (resid 9  and name ha    and segid PEPT)  3.5   1.00  1.00!o
  assign     (resid 9  and name Hd#   and segid PEPT)
             (resid 9  and name hn    and segid PEPT)  4.5   2.00  1.00!o
  assign     (resid 9  and name Hd#   and segid PEPT)
             (resid 10 and name hn    and segid PEPT)  4.5   1.00  2.00!o
  assign     (resid 9  and name Hg#   and segid PEPT)
             (resid 10 and name hn    and segid PEPT)  4.5   2.00  1.00!o
  assign     (resid 9  and name Ha    and segid PEPT)
             (resid 12 and name hb#   and segid PEPT)  3.5   1.00  1.00!o
  assign     (resid 9  and name Hd#   and segid PEPT)
             (resid 12 and name hb#   and segid PEPT)  4.5   1.00  2.00!o

  assign     (resid 10 and name Ha    and segid PEPT)
             (resid 10 and name hn    and segid PEPT)  2.7   0.75  1.00  
 
  assign     (resid 10 and name Hn    and segid PEPT)
             (resid 11 and name hn    and segid PEPT)  3.5   1.00  0.75     {* new  *}

  assign     (resid 10 and name ha    and segid PEPT)
             (resid 11 and name Hn    and segid PEPT)  3.5   0.75  0.75
  assign     (resid 10 and name Ha    and segid PEPT)
             (resid 13 and name hn    and segid PEPT)  4.5   1.00  1.00
!  assign     (resid 10 and name Hd#   and segid PEPT)
!             (resid 10 and name ha    and segid PEPT)  4.5   1.50  1.00!o
  assign     (resid 10 and name Ha    and segid PEPT)
             (resid 13 and name hd#   and segid PEPT)  4.5   1.50  1.50!o

  assign     (resid 11 and name Ha    and segid PEPT)
             (resid 11 and name hn    and segid PEPT)  3.5   1.00  1.00
  assign     (resid 11 and name hn    and segid PEPT)
             (resid 12 and name Hn    and segid PEPT)  3.5   0.75  0.75
  assign     (resid 11 and name Ha    and segid PEPT)
             (resid 12 and name hn    and segid PEPT)  3.5   0.75  0.75  
  assign     (resid 11 and name Ha    and segid PEPT)
             (resid 14 and name hn    and segid PEPT)  3.5   0.75  0.75!o
  assign     (resid 11 and name Hd#   and segid PEPT)
             (resid 11 and name hn    and segid PEPT)  4.5   1.00  2.00!o
  assign     (resid 11 and name Ha    and segid PEPT)
             (resid 14 and name hg#   and segid PEPT)  3.5   1.00  1.00!o
  assign     (resid 11 and name Hd#   and segid PEPT)
             (resid 11 and name ha    and segid PEPT)  3.5   1.00  1.00!o

  assign     (resid 12 and name Ha    and segid PEPT)
             (resid 12 and name hn    and segid PEPT)  2.7   0.75  0.75
  assign     (resid 12 and name ha    and segid PEPT)
             (resid 13 and name Hn    and segid PEPT)  3.5   0.75  0.75
  assign     (resid 12 and name Hn    and segid PEPT)
             (resid 13 and name hn    and segid PEPT)  2.7   0.75  0.75!o
  assign     (resid 12 and name Ha    and segid PEPT)
             (resid 15 and name hn    and segid PEPT)  4.5   1.00  1.00
  assign     (resid 12 and name hb#   and segid PEPT)
             (resid 13 and name Hn    and segid PEPT)  4.5   0.75  0.75
  assign     (resid 12 and name Hb#   and segid PEPT)
             (resid 12 and name hn    and segid PEPT)  2.7   0.75  0.75!o
  assign     (resid 12 and name Hb#   and segid PEPT)
             (resid 12 and name ha    and segid PEPT)  2.7   1.00  0.75!o
  assign     (resid 12 and name Ha    and segid PEPT)
             (resid 15 and name hb#   and segid PEPT)  3.5   1.00  1.00!o
  assign     (resid 12 and name Ha    and segid PEPT)
             (resid 15 and name hd#   and segid PEPT)  4.5   1.50  1.00!o

  assign     (resid 13 and name ha    and segid PEPT)
             (resid 13 and name Hn    and segid PEPT)  3.5   0.75  0.75
  assign     (resid 13 and name Ha    and segid PEPT)
             (resid 14 and name hn    and segid PEPT)  3.5   0.75  0.75
  assign     (resid 13 and name Hn    and segid PEPT)
             (resid 14 and name hn    and segid PEPT)  2.7   0.75  0.75
  assign     (resid 13 and name hn    and segid PEPT)
             (resid 15 and name Hn    and segid PEPT)  4.5   1.00  1.00
  assign     (resid 13 and name Ha    and segid PEPT)
             (resid 17 and name hn    and segid PEPT)  4.5   1.00  1.00
  assign     (resid 13 and name Hd#   and segid PEPT)
             (resid 14 and name hn    and segid PEPT)  4.5   1.00  2.00!o
  assign     (resid 13 and name Hd#   and segid PEPT)
             (resid 13 and name hn    and segid PEPT)  4.5   1.00  1.00!o
  assign     (resid 13 and name Hd#   and segid PEPT)
             (resid 13 and name ha    and segid PEPT)  3.5   1.00  1.00!o

  assign     (resid 14 and name ha    and segid PEPT)
             (resid 14 and name hn    and segid PEPT)  3.5   0.75  0.75    {* correct *}
  assign     (resid 14 and name Ha    and segid PEPT)
             (resid 15 and name hn    and segid PEPT)  3.5   0.75  0.75!o
  assign     (resid 14 and name Hn    and segid PEPT)
             (resid 15 and name hn    and segid PEPT)  2.7   0.75  0.75!o
  assign     (resid 14 and name Ha    and segid PEPT)
             (resid 16 and name hn    and segid PEPT)  4.5   1.00  1.00!o
  assign     (resid 14 and name Ha    and segid PEPT)
             (resid 17 and name hn    and segid PEPT)  4.5   1.00  1.00!o
  assign     (resid 14 and name Hb#   and segid PEPT)
             (resid 15 and name hn    and segid PEPT)  3.5   1.00  1.00!o
  assign     (resid 14 and name Ha    and segid PEPT)
             (resid 17 and name hd#   and segid PEPT)  3.5   1.00  1.00!o
  assign     (resid 14 and name Hg#   and segid PEPT)
             (resid 17 and name hd#   and segid PEPT)  4.5   1.00  2.00!o
  assign     (resid 14 and name Hg#   and segid PEPT)
             (resid 14 and name ha    and segid PEPT)  3.5   1.00  1.00!o

  assign     (resid 15 and name ha    and segid PEPT)
             (resid 15 and name Hn    and segid PEPT)  3.5   0.75  0.75
  assign     (resid 15 and name Hn    and segid PEPT)
             (resid 16 and name hn    and segid PEPT)  3.5   1.00  1.00!o
  assign     (resid 15 and name ha    and segid PEPT)
             (resid 16 and name Hn    and segid PEPT)  3.5   1.00  1.00
  assign     (resid 15 and name Hb#   and segid PEPT)
             (resid 15 and name ha    and segid PEPT)  3.5   1.50  1.00!o
  assign     (resid 15 and name Hd#   and segid PEPT)
             (resid 15 and name ha    and segid PEPT)  3.5   1.00  1.00!o

  assign     (resid 16 and name ha    and segid PEPT)
             (resid 16 and name Hn    and segid PEPT)  3.5   1.00  1.00
  assign     (resid 16 and name Hn    and segid PEPT)
             (resid 17 and name hn    and segid PEPT)  2.7   0.75  0.75
  assign     (resid 16 and name ha    and segid PEPT)
             (resid 17 and name Hn    and segid PEPT)  3.5   0.75  0.75

  assign     (resid 17 and name Ha    and segid PEPT)
             (resid 17 and name hn    and segid PEPT)  3.5   0.75  0.75
  assign     (resid 17 and name Hd#   and segid PEPT)
             (resid 17 and name ha    and segid PEPT)  3.5   1.00  1.00!o

{* comment new stuff *}
  assign     (resid 12 and name Hb#   and segid PEPT)
             (resid 12 and name he3    and segid PEPT)  2.7  0.75  0.75
  assign     (resid 12 and name Hb#   and segid PEPT)
             (resid 12 and name hd1    and segid PEPT)  2.7  0.75  0.75

  assign     (resid 12 and name Hb#   and segid PEPT)
             (resid 12 and name hz3    and segid PEPT)  4.5  1.0  2.0

  assign     (resid 1  and name Hb    and segid PEPT)
             (resid 4  and name hb#   and segid PEPT)  4.5  1.0  2.5
  assign     (resid 1  and name Ha    and segid PEPT)
             (resid 4  and name hb#    and segid PEPT)  4.5  1.0  2.0
  assign     (resid 3  and name Ha    and segid PEPT)
             (resid 6  and name hd#    and segid PEPT)  4.5  2.0  2.0
  assign     (resid 3  and name Ha    and segid PEPT)
             (resid 6  and name hg#    and segid PEPT)  4.5  2.0  2.0
  assign     (resid 13 and name Ha    and segid PEPT)
             (resid 16 and name hb#    and segid PEPT)  3.5  1.0  1.5
  assign     (resid 5  and name Ha    and segid PEPT)
             (resid 8  and name hd#    and segid PEPT)  4.5  1.0  2.0
  assign     (resid 6  and name Ha    and segid PEPT)
             (resid 9  and name hb#    and segid PEPT)  3.5  1.0  1.5
  assign     (resid 7  and name Ha    and segid PEPT)
             (resid 10 and name hg#    and segid PEPT)  3.5  1.0  1.5
  assign     (resid 7  and name Hb#   and segid PEPT)
             (resid 4  and name hb#    and segid PEPT)  4.5  2.0  1.5
  assign     (resid 7  and name Hd2#   and segid PEPT)
             (resid 4  and name hb#    and segid PEPT)  4.5  1.0  2.5




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