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 subtype subsubtype
588217 2mz6 25474 cing 1-original 1 XPLOR/CNS distance NOE simple


!A INTRAMONOMER NOES
!A.1.1 short range interresidue (|i - j| <= 5) NOEs: intramonomer A
!CaH(i)-NH(i+1) 
assign (segid A*  and resid    2 and  name HA#  )
  (segid A*  and resid    3 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid    3 and  name HA#  )
  (segid A*  and resid    4 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid    4 and  name HA#  )
  (segid A*  and resid    5 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid    6 and  name HA   )
  (segid A*  and resid    7 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid    7 and  name HA   )
  (segid A*  and resid    8 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid    8 and  name HA   )
  (segid A*  and resid    9 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid    9 and  name HA   )
  (segid A*  and resid   10 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid   10 and  name HA   )
  (segid A*  and resid   11 and  name HN   ) 3.0 0.7 0.5
assign (segid A*  and resid   11 and  name HA   )
  (segid A*  and resid   12 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid   12 and  name HA   )
  (segid A*  and resid   13 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid   13 and  name HA   )
  (segid A*  and resid   14 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid   14 and  name HA   )
  (segid A*  and resid   15 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid   15 and  name HA   )
  (segid A*  and resid   16 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid   16 and  name HA   )
  (segid A*  and resid   17 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid   17 and  name HA#  )
  (segid A*  and resid   18 and  name HN   ) 2.5 0.7 0.2
!NH(i)-NH(i+1) NOEs
assign (segid A*  and resid    2 and  name HN   )
  (segid A*  and resid    3 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid    3 and  name HN   )
  (segid A*  and resid    4 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid    4 and  name HN   )
  (segid A*  and resid    5 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid    5 and  name HN   )
  (segid A*  and resid    6 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid    6 and  name HN   )
  (segid A*  and resid    7 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid    7 and  name HN   )
  (segid A*  and resid    8 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid    8 and  name HN   )
  (segid A*  and resid    9 and  name HN   ) 4.0 1.0 3.0
assign (segid A*  and resid    9 and  name HN   )
  (segid A*  and resid   10 and  name HN   ) 4.0 1.5 3.0
assign (segid A*  and resid   11 and  name HN   )
  (segid A*  and resid   12 and  name HN   ) 3.0 1.2 0.5
assign (segid A*  and resid   12 and  name HN   )
  (segid A*  and resid   13 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid   14 and  name HN   )
  (segid A*  and resid   15 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid   15 and  name HN   )
  (segid A*  and resid   16 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid   16 and  name HN   )
  (segid A*  and resid   17 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid   17 and  name HN   )
  (segid A*  and resid   18 and  name HN   ) 4.0 1.7 1.0
!CbH(i)-NH(i+1)
assign (segid A*  and resid    1 and  name HB#  )
  (segid A*  and resid    2 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid    5 and  name HB#  )
  (segid A*  and resid    6 and  name HN   ) 3.0 1.2 0.5
assign (segid A*  and resid    6 and  name HB#  )
  (segid A*  and resid    7 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid    7 and  name HB2  )
  (segid A*  and resid    8 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid    8 and  name HB1  )
  (segid A*  and resid    9 and  name HN   ) 3.0 1.2 0.5
assign (segid A*  and resid    8 and  name HB2  )
  (segid A*  and resid    9 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid    9 and  name HB1  )
  (segid A*  and resid   10 and  name HN   ) 3.0 1.2 0.5
assign (segid A*  and resid   11 and  name HB#  )
  (segid A*  and resid   12 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid   12 and  name HB1  )
  (segid A*  and resid   13 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid   12 and  name HB2  )
  (segid A*  and resid   13 and  name HN   ) 3.0 1.2 0.5
assign (segid A*  and resid   13 and  name HB2  )
  (segid A*  and resid   14 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid   15 and  name HB#  )
  (segid A*  and resid   16 and  name HN   ) 3.0 1.2 0.5
assign (segid A*  and resid   16 and  name HB#  )
  (segid A*  and resid   17 and  name HN   ) 3.0 1.2 0.5
!NH(i)-NH(i+2)
!NH(i)-NH(i+3)
assign (segid A*  and resid    9 and  name HN   )
  (segid A*  and resid   12 and  name HN   ) 3.0 1.2 1.0
!NH(i)-NH(i+4)
!CaH(i)-NH(i+2)
assign (segid A*  and resid  3 and name ha#)
  (segid A*  and resid  5 and name hn) 4.0 1.0 3.0
!CaH(i)-NH(i+3)
!CaH(i)-NH(i+4)
!CbH(i)-NH(i+2)
assign (segid A*  and resid   16 and  name HB   )
  (segid A*  and resid   18 and  name HN   ) 4.0 1.0 3.0
!CbH(i)-NH(i+3)
!Tyr-7 HD#
assign (segid A*  and resid  7 and name hd#)
  (segid A*  and resid  6 and name ha) 4.0 1.0 3.0
assign (segid A*  and resid  7 and name hd#)
  (segid A*  and resid  6 and name hn) 4.0 1.7 1.0
  assign (segid A*  and resid  7 and name hd#)
  (segid A*  and resid  8 and name ha) 4.0 1.7 1.0
assign (segid A*  and resid  7 and name hd#)
  (segid A*  and resid  8 and name hb2) 4.0 1.7 1.0
assign (segid A*  and resid  7 and name hd#)
  (segid A*  and resid  6 and name hb#) 4.0 1.0 3.0
!Tyr-7 HE#
assign (segid A*  and resid  7 and name he#)
  (segid A*  and resid  8 and name ha) 4.0 1.0 3.0
assign (segid A*  and resid  7 and name he#)
  (segid A*  and resid  8 and name hn) 4.0 1.7 1.0
!Phe-12 HD#
assign (segid A*  and resid 12 and name hd#)
  (segid A*  and resid 14 and name hg#) 4.0 1.0 2.0
assign (segid A*  and resid 12 and name hd#)
  (segid A*  and resid 11 and name hb#) 4.0 1.7 1.0
assign (segid A*  and resid 12 and name hd#)
  (segid A*  and resid 10 and name hg1) 4.0 1.0 3.0
!Phe-12 HE#
assign (segid A*  and resid 12 and name he#)
  (segid A*  and resid 13 and name hn) 4.0 1.0 2.0
assign (segid A*  and resid 12 and name he#)
  (segid A*  and resid 14 and name hg#) 4.0 1.7 1.0
assign (segid A*  and resid 12 and name he#)
  (segid A*  and resid 11 and name hn) 4.0 1.0 3.0
!Arg-1 HD#
assign (segid A*  and resid    1 and  name HD#  )
  (segid A*  and resid    2 and  name HN   ) 3.0 1.2 0.5
!Arg-1 HG1
assign (segid A*  and resid    1 and  name HG1  )
  (segid A*  and resid    2 and  name HN   ) 4.0 1.7 1.0
!Gly-2 NH
assign (segid A*  and resid  2 and name hn)
  (segid A*  and resid  3 and name ha#) 4.0 1.0 2.0
!Gly-3 NH
assign (segid A*  and resid  3 and name hn)
  (segid A*  and resid  4 and name ha#) 4.0 1.0 2.0
!Gly-4 CaH#
assign (segid A*  and resid  4 and name ha#)
  (segid A*  and resid  5 and name ha) 4.0 1.7 1.0
assign (segid A*  and resid  4 and name ha#)
  (segid A*  and resid  5 and name hb#) 4.0 1.7 1.0
assign (segid A*  and resid  4 and name ha#)
  (segid A*  and resid  5 and name hd1#) 3.0 1.2 1.0
!Leu-5 HN
assign (segid A*  and resid  5 and name hn)
  (segid A*  and resid  6 and name hb2) 4.0 1.7 1.0
!Leu-5 HD1#
assign (segid A*  and resid    5 and  name HD1#  )
  (segid A*  and resid    6 and  name HN   ) 4.0 1.7 1.0
!Leu-5 HD2#
assign (segid A*  and resid    5 and  name HD2#  )
  (segid A*  and resid    6 and  name HN   ) 4.0 1.7 1.0
!Leu-5 HG#
assign (segid A*  and resid    5 and  name HG   )
  (segid A*  and resid    6 and  name HN   ) 4.0 1.7 1.0
!Cys-6 HN
assign (segid A*  and resid    6 and  name HN  )
  (segid A*  and resid    7 and  name HA   ) 4.0 1.7 1.0
!Cys-8 CaH
assign (segid A*  and resid    8 and  name HA  )
  (segid A*  and resid    9 and  name HH#  ) 4.0 1.0 2.0
!Cys-8 CbH
assign (segid A*  and resid    8 and  name HB2 )
  (segid A*  and resid    9 and  name HA   ) 4.0 1.7 1.0
assign (segid A*  and resid    8 and  name HB2 )
  (segid A*  and resid    9 and  name HH#  ) 4.0 1.0 2.0
!Arg-9 CaH
assign (segid A*  and resid    9 and  name HA  )
  (segid A*  and resid   11 and  name HA   ) 4.0 1.0 3.0
!Arg-9 CbH#
assign (segid A*  and resid    9 and  name HB# )
  (segid A*  and resid   13 and  name HA   ) 4.0 1.7 1.0
!Arg-10 HA
assign (segid A*  and resid   10 and  name HA  )
  (segid A*  and resid   11 and  name HG2  ) 4.0 1.0 2.0
!Arg-10 HG1
assign (segid A*  and resid   10 and  name HG1 )
  (segid A*  and resid   11 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid   10 and  name HG1 )
  (segid A*  and resid   12 and  name HE#  ) 4.0 1.7 1.0
!Arg-10 HD#
assign (segid A*  and resid   10 and  name HD#  )
  (segid A*  and resid   11 and  name HN   ) 4.0 1.4 1.0
!Arg-11 HN
assign (segid A*  and resid   11 and  name HN   )
  (segid A*  and resid   12 and  name HA   ) 4.0 1.0 2.0
assign (segid A*  and resid   11 and  name HN   )
  (segid A*  and resid   12 and  name HB1  ) 3.0 1.2 1.0
!Arg-11 HG1
assign (segid A*  and resid   11 and  name HG1  )
  (segid A*  and resid   12 and  name HN   ) 4.0 1.7 1.0
!Arg-11 HG2
assign (segid A*  and resid   11 and  name HG2  )
  (segid A*  and resid   12 and  name HN   ) 4.0 1.0 2.0
!Cys-13 HN
assign (segid A*  and resid   13 and  name HN   )
  (segid A*  and resid   14 and  name HB  ) 4.0 1.0 2.0
!Cys-13 HA
assign (segid A*  and resid   13 and  name HA   )
  (segid A*  and resid   14 and  name HG1# ) 3.0 1.2 1.0
assign (segid A*  and resid   13 and  name HA   )
  (segid A*  and resid   14 and  name HA   ) 4.0 1.7 1.0
!Cys-13 HB1
assign (segid A*  and resid   13 and  name HB1  )
  (segid A*  and resid   14 and  name HG1# ) 4.0 1.0 2.0
!Val-14 HB#
assign (segid A*  and resid   14 and  name HB  )
  (segid A*  and resid   15 and  name HA   ) 4.0 1.0 2.0
!Val-14 HG1#
assign (segid A*  and resid   14 and  name HG1# )
  (segid A*  and resid   15 and  name HA   ) 4.0 1.7 1.0
!Val-14 HG2#
assign (segid A*  and resid   14 and  name HG2# )
  (segid A*  and resid   15 and  name HA   ) 4.0 1.7 1.0
!Cys-15 HA
assign (segid A*  and resid   15 and  name HA   )
  (segid A*  and resid   16 and  name HG#  ) 4.0 1.7 1.0
!Cys-15 HB2
assign (segid A*  and resid   15 and  name HB2  )
  (segid A*  and resid   16 and  name HA   ) 4.0 1.7 1.0
!Val-16 HN
assign (segid A*  and resid   16 and  name HN   )
  (segid A*  and resid   17 and  name HA#  ) 4.0 1.7 1.0
!Val-16 CaH
assign (segid A*  and resid   16 and  name HA   )
  (segid A*  and resid   17 and  name HA#  ) 4.0 1.7 1.0
!Val-16 CbH#
assign (segid A*  and resid   16 and  name HB   )
  (segid A*  and resid   17 and  name HA#  ) 4.0 1.7 1.0
!Val-16 HG#
assign (segid A*  and resid   16 and  name HG#  )
  (segid A*  and resid   17 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid   16 and  name HG#  )
  (segid A*  and resid   17 and  name HA#  ) 4.0 1.7 2.0
assign (segid A*  and resid   16 and  name HG#  )
  (segid A*  and resid   18 and  name HB#  ) 4.0 1.0 3.0
assign (segid A*  and resid   16 and  name HG#  )
  (segid A*  and resid   18 and  name HN   ) 4.0 1.0 2.0
!Gly-17 CaH#
assign (segid A*  and resid   17 and  name HA#  )
  (segid A*  and resid   18 and  name HA   ) 4.0 1.7 1.0
assign (segid A*  and resid   17 and  name HA#  )
  (segid A*  and resid   18 and  name HB#  ) 4.0 1.7 1.0
!A.1.2 short range interresidue (|i - j| <= 5) NOEs: intramonomer B
!CaH(i)-NH(i+1) 
assign (segid B*  and resid    2 and  name HA#  )
  (segid B*  and resid    3 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid    3 and  name HA#  )
  (segid B*  and resid    4 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid    4 and  name HA#  )
  (segid B*  and resid    5 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid    6 and  name HA   )
  (segid B*  and resid    7 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid    7 and  name HA   )
  (segid B*  and resid    8 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid    8 and  name HA   )
  (segid B*  and resid    9 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid    9 and  name HA   )
  (segid B*  and resid   10 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid   10 and  name HA   )
  (segid B*  and resid   11 and  name HN   ) 3.0 0.7 0.5
assign (segid B*  and resid   11 and  name HA   )
  (segid B*  and resid   12 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid   12 and  name HA   )
  (segid B*  and resid   13 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid   13 and  name HA   )
  (segid B*  and resid   14 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid   14 and  name HA   )
  (segid B*  and resid   15 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid   15 and  name HA   )
  (segid B*  and resid   16 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid   16 and  name HA   )
  (segid B*  and resid   17 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid   17 and  name HA#  )
  (segid B*  and resid   18 and  name HN   ) 2.5 0.7 0.2
!NH(i)-NH(i+1) NOEs
assign (segid B*  and resid    2 and  name HN   )
  (segid B*  and resid    3 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid    3 and  name HN   )
  (segid B*  and resid    4 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid    4 and  name HN   )
  (segid B*  and resid    5 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid    5 and  name HN   )
  (segid B*  and resid    6 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid    6 and  name HN   )
  (segid B*  and resid    7 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid    7 and  name HN   )
  (segid B*  and resid    8 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid    8 and  name HN   )
  (segid B*  and resid    9 and  name HN   ) 4.0 1.0 3.0
assign (segid B*  and resid    9 and  name HN   )
  (segid B*  and resid   10 and  name HN   ) 4.0 1.5 3.0
assign (segid B*  and resid   11 and  name HN   )
  (segid B*  and resid   12 and  name HN   ) 3.0 1.2 0.5
assign (segid B*  and resid   12 and  name HN   )
  (segid B*  and resid   13 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid   14 and  name HN   )
  (segid B*  and resid   15 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid   15 and  name HN   )
  (segid B*  and resid   16 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid   16 and  name HN   )
  (segid B*  and resid   17 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid   17 and  name HN   )
  (segid B*  and resid   18 and  name HN   ) 4.0 1.7 1.0
!CbH(i)-NH(i+1)
assign (segid B*  and resid    1 and  name HB#  )
  (segid B*  and resid    2 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid    5 and  name HB#  )
  (segid B*  and resid    6 and  name HN   ) 3.0 1.2 0.5
assign (segid B*  and resid    6 and  name HB#  )
  (segid B*  and resid    7 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid    7 and  name HB2  )
  (segid B*  and resid    8 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid    8 and  name HB1  )
  (segid B*  and resid    9 and  name HN   ) 3.0 1.2 0.5
assign (segid B*  and resid    8 and  name HB2  )
  (segid B*  and resid    9 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid    9 and  name HB1  )
  (segid B*  and resid   10 and  name HN   ) 3.0 1.2 0.5
assign (segid B*  and resid   11 and  name HB#  )
  (segid B*  and resid   12 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid   12 and  name HB1  )
  (segid B*  and resid   13 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid   12 and  name HB2  )
  (segid B*  and resid   13 and  name HN   ) 3.0 1.2 0.5
assign (segid B*  and resid   13 and  name HB2  )
  (segid B*  and resid   14 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid   15 and  name HB#  )
  (segid B*  and resid   16 and  name HN   ) 3.0 1.2 0.5
assign (segid B*  and resid   16 and  name HB#  )
  (segid B*  and resid   17 and  name HN   ) 3.0 1.2 0.5
!NH(i)-NH(i+2)
!NH(i)-NH(i+3)
assign (segid B*  and resid    9 and  name HN   )
  (segid B*  and resid   12 and  name HN   ) 3.0 1.2 1.0
!NH(i)-NH(i+4)
!CaH(i)-NH(i+2)
assign (segid B*  and resid  3 and name ha#)
  (segid B*  and resid  5 and name hn) 4.0 1.0 3.0
!CaH(i)-NH(i+3)
!CaH(i)-NH(i+4)
!CbH(i)-NH(i+2)
assign (segid B*  and resid   16 and  name HB   )
  (segid B*  and resid   18 and  name HN   ) 4.0 1.0 3.0
!CbH(i)-NH(i+3)
!Tyr-7 HD#
assign (segid B*  and resid  7 and name hd#)
  (segid B*  and resid  6 and name ha) 4.0 1.0 3.0
assign (segid B*  and resid  7 and name hd#)
  (segid B*  and resid  6 and name hn) 4.0 1.7 1.0
  assign (segid B*  and resid  7 and name hd#)
  (segid B*  and resid  8 and name ha) 4.0 1.7 1.0
assign (segid B*  and resid  7 and name hd#)
  (segid B*  and resid  8 and name hb2) 4.0 1.7 1.0
assign (segid B*  and resid  7 and name hd#)
  (segid B*  and resid  6 and name hb#) 4.0 1.0 3.0
!Tyr-7 HE#
assign (segid B*  and resid  7 and name he#)
  (segid B*  and resid  8 and name ha) 4.0 1.0 3.0
assign (segid B*  and resid  7 and name he#)
  (segid B*  and resid  8 and name hn) 4.0 1.7 1.0
!Phe-12 HD#
assign (segid B*  and resid 12 and name hd#)
  (segid B*  and resid 14 and name hg#) 4.0 1.0 2.0
assign (segid B*  and resid 12 and name hd#)
  (segid B*  and resid 11 and name hb#) 4.0 1.7 1.0
assign (segid B*  and resid 12 and name hd#)
  (segid B*  and resid 10 and name hg1) 4.0 1.0 3.0
!Phe-12 HE#
assign (segid B*  and resid 12 and name he#)
  (segid B*  and resid 13 and name hn) 4.0 1.0 2.0
assign (segid B*  and resid 12 and name he#)
  (segid B*  and resid 14 and name hg#) 4.0 1.7 1.0
assign (segid B*  and resid 12 and name he#)
  (segid B*  and resid 11 and name hn) 4.0 1.0 3.0
!Arg-1 HD#
assign (segid B*  and resid    1 and  name HD#  )
  (segid B*  and resid    2 and  name HN   ) 3.0 1.2 0.5
!Arg-1 HG1
assign (segid B*  and resid    1 and  name HG1  )
  (segid B*  and resid    2 and  name HN   ) 4.0 1.7 1.0
!Gly-2 NH
assign (segid B*  and resid  2 and name hn)
  (segid B*  and resid  3 and name ha#) 4.0 1.0 2.0
!Gly-3 NH
assign (segid B*  and resid  3 and name hn)
  (segid B*  and resid  4 and name ha#) 4.0 1.0 2.0
!Gly-4 CaH#
assign (segid B*  and resid  4 and name ha#)
  (segid B*  and resid  5 and name ha) 4.0 1.7 1.0
assign (segid B*  and resid  4 and name ha#)
  (segid B*  and resid  5 and name hb#) 4.0 1.7 1.0
assign (segid B*  and resid  4 and name ha#)
  (segid B*  and resid  5 and name hd1#) 3.0 1.2 1.0
!Leu-5 HN
assign (segid B*  and resid  5 and name hn)
  (segid B*  and resid  6 and name hb2) 4.0 1.7 1.0
!Leu-5 HD1#
assign (segid B*  and resid    5 and  name HD1#  )
  (segid B*  and resid    6 and  name HN   ) 4.0 1.7 1.0
!Leu-5 HD2#
assign (segid B*  and resid    5 and  name HD2#  )
  (segid B*  and resid    6 and  name HN   ) 4.0 1.7 1.0
!Leu-5 HG#
assign (segid B*  and resid    5 and  name HG   )
  (segid B*  and resid    6 and  name HN   ) 4.0 1.7 1.0
!Cys-6 HN
assign (segid B*  and resid    6 and  name HN  )
  (segid B*  and resid    7 and  name HA   ) 4.0 1.7 1.0
!Cys-8 CaH
assign (segid B*  and resid    8 and  name HA  )
  (segid B*  and resid    9 and  name HH#  ) 4.0 1.0 2.0
!Cys-8 CbH
assign (segid B*  and resid    8 and  name HB2 )
  (segid B*  and resid    9 and  name HA   ) 4.0 1.7 1.0
assign (segid B*  and resid    8 and  name HB2 )
  (segid B*  and resid    9 and  name HH#  ) 4.0 1.0 2.0
!Arg-9 CaH
assign (segid B*  and resid    9 and  name HA  )
  (segid B*  and resid   11 and  name HA   ) 4.0 1.0 3.0
!Arg-9 CbH#
assign (segid B*  and resid    9 and  name HB# )
  (segid B*  and resid   13 and  name HA   ) 4.0 1.7 1.0
!Arg-10 HA
assign (segid B*  and resid   10 and  name HA  )
  (segid B*  and resid   11 and  name HG2  ) 4.0 1.0 2.0
!Arg-10 HG1
assign (segid B*  and resid   10 and  name HG1 )
  (segid B*  and resid   11 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid   10 and  name HG1 )
  (segid B*  and resid   12 and  name HE#  ) 4.0 1.7 1.0
!Arg-10 HD#
assign (segid B*  and resid   10 and  name HD#  )
  (segid B*  and resid   11 and  name HN   ) 4.0 1.4 1.0
!Arg-11 HN
assign (segid B*  and resid   11 and  name HN   )
  (segid B*  and resid   12 and  name HA   ) 4.0 1.0 2.0
assign (segid B*  and resid   11 and  name HN   )
  (segid B*  and resid   12 and  name HB1  ) 3.0 1.2 1.0
!Arg-11 HG1
assign (segid B*  and resid   11 and  name HG1  )
  (segid B*  and resid   12 and  name HN   ) 4.0 1.7 1.0
!Arg-11 HG2
assign (segid B*  and resid   11 and  name HG2  )
  (segid B*  and resid   12 and  name HN   ) 4.0 1.0 2.0
!Cys-13 HN
assign (segid B*  and resid   13 and  name HN   )
  (segid B*  and resid   14 and  name HB  ) 4.0 1.0 2.0
!Cys-13 HA
assign (segid B*  and resid   13 and  name HA   )
  (segid B*  and resid   14 and  name HG1# ) 3.0 1.2 1.0
assign (segid B*  and resid   13 and  name HA   )
  (segid B*  and resid   14 and  name HA   ) 4.0 1.7 1.0
!Cys-13 HB1
assign (segid B*  and resid   13 and  name HB1  )
  (segid B*  and resid   14 and  name HG1# ) 4.0 1.0 2.0
!Val-14 HB#
assign (segid B*  and resid   14 and  name HB  )
  (segid B*  and resid   15 and  name HA   ) 4.0 1.0 2.0
!Val-14 HG1#
assign (segid B*  and resid   14 and  name HG1# )
  (segid B*  and resid   15 and  name HA   ) 4.0 1.7 1.0
!Val-14 HG2#
assign (segid B*  and resid   14 and  name HG2# )
  (segid B*  and resid   15 and  name HA   ) 4.0 1.7 1.0
!Cys-15 HA
assign (segid B*  and resid   15 and  name HA   )
  (segid B*  and resid   16 and  name HG#  ) 4.0 1.7 1.0
!Cys-15 HB2
assign (segid B*  and resid   15 and  name HB2  )
  (segid B*  and resid   16 and  name HA   ) 4.0 1.7 1.0
!Val-16 HN
assign (segid B*  and resid   16 and  name HN   )
  (segid B*  and resid   17 and  name HA#  ) 4.0 1.7 1.0
!Val-16 CaH
assign (segid B*  and resid   16 and  name HA   )
  (segid B*  and resid   17 and  name HA#  ) 4.0 1.7 1.0
!Val-16 CbH#
assign (segid B*  and resid   16 and  name HB   )
  (segid B*  and resid   17 and  name HA#  ) 4.0 1.7 1.0
!Val-16 HG#
assign (segid B*  and resid   16 and  name HG#  )
  (segid B*  and resid   17 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid   16 and  name HG#  )
  (segid B*  and resid   17 and  name HA#  ) 4.0 1.7 2.0
assign (segid B*  and resid   16 and  name HG#  )
  (segid B*  and resid   18 and  name HB#  ) 4.0 1.0 3.0
assign (segid B*  and resid   16 and  name HG#  )
  (segid B*  and resid   18 and  name HN   ) 4.0 1.0 2.0
!Gly-17 CaH#
assign (segid B*  and resid   17 and  name HA#  )
  (segid B*  and resid   18 and  name HA   ) 4.0 1.7 1.0
assign (segid B*  and resid   17 and  name HA#  )
  (segid B*  and resid   18 and  name HB#  ) 4.0 1.7 1.0
!A.3.1 Intraresidue: intramonomer A
!Arg-1
assign (segid A*  and resid 1 and name ha)
  (segid A*  and resid 1 and name hb#) 3.0 1.2 0.5
!Gly-2
assign (segid A*  and resid 2 and name hn)
  (segid A*  and resid 2 and name ha#) 2.5 0.7 0.2
!Gly-3
assign (segid A*  and resid 3 and name hn)
  (segid A*  and resid 3 and name ha#) 2.5 0.7 0.2
!Gly-4
assign (segid A*  and resid 4 and name hn)
  (segid A*  and resid 4 and name ha#) 2.5 0.7 0.2
!Leu-5
assign (segid A*  and resid 5 and name hn)
  (segid A*  and resid 5 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 5 and name hn)
  (segid A*  and resid 5 and name hb#) 3.0 1.2 0.5
assign (segid A*  and resid 5 and name ha)
  (segid A*  and resid 5 and name hb#) 4.0 1.7 1.0
!Cys-6
assign (segid A*  and resid 6 and name hn)
  (segid A*  and resid 6 and name ha) 4.0 1.7 1.0
assign (segid A*  and resid 6 and name hn)
  (segid A*  and resid 6 and name hb#) 4.0 1.7 1.0
assign (segid A*  and resid 6 and name ha)
  (segid A*  and resid 6 and name hb#) 3.0 1.2 0.5
!Tyr-7
assign (segid A*  and resid 7 and name hn)
  (segid A*  and resid 7 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 7 and name hn)
  (segid A*  and resid 7 and name hb#) 3.0 1.2 0.5
assign (segid A*  and resid 7 and name ha)
  (segid A*  and resid 7 and name hb#) 3.0 1.2 0.5
!Cys-8
assign (segid A*  and resid 8 and name hn)
  (segid A*  and resid 8 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 8 and name hn)
  (segid A*  and resid 8 and name hb1) 3.0 1.2 0.5
assign (segid A*  and resid 8 and name hn)
  (segid A*  and resid 8 and name hb2) 4.0 1.7 1.0
assign (segid A*  and resid 8 and name ha)
  (segid A*  and resid 8 and name hb1) 4.0 1.7 1.0
assign (segid A*  and resid 8 and name ha)
  (segid A*  and resid 8 and name hb2) 3.0 1.2 0.5
!Arg-9
assign (segid A*  and resid 9 and name hn)
  (segid A*  and resid 9 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 9 and name hn)
  (segid A*  and resid 9 and name hb1) 3.0 1.2 0.5
assign (segid A*  and resid 9 and name hn)
  (segid A*  and resid 9 and name hb2) 2.5 0.7 0.2
assign (segid A*  and resid 9 and name ha)
  (segid A*  and resid 9 and name hb1) 3.0 1.2 0.5
assign (segid A*  and resid 9 and name ha)
  (segid A*  and resid 9 and name hb2) 3.0 1.2 0.5
!Arg-10
assign (segid A*  and resid 10 and name hn)
  (segid A*  and resid 10 and name ha) 2.5 0.7 0.2
assign (segid A*  and resid 10 and name hn)
  (segid A*  and resid 10 and name hb#) 3.0 1.2 0.5
assign (segid A*  and resid 10 and name ha)
  (segid A*  and resid 10 and name hb#) 3.0 1.2 0.5
!Arg-11
assign (segid A*  and resid 11 and name hn)
  (segid A*  and resid 11 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 11 and name hn)
  (segid A*  and resid 11 and name hb#) 2.5 0.7 0.2
assign (segid A*  and resid 11 and name ha)
  (segid A*  and resid 11 and name hb#) 2.5 0.7 0.2
!Phe-12
assign (segid A*  and resid 12 and name hn)
  (segid A*  and resid 12 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 12 and name hn)
  (segid A*  and resid 12 and name hb1) 3.0 1.2 0.5
assign (segid A*  and resid 12 and name hn)
  (segid A*  and resid 12 and name hb2) 4.0 1.7 1.0
assign (segid A*  and resid 12 and name ha)
  (segid A*  and resid 12 and name hb1) 3.0 1.2 0.5
assign (segid A*  and resid 12 and name ha)
  (segid A*  and resid 12 and name hb2) 3.0 1.2 0.5
!Cys-13
assign (segid A*  and resid 13 and name hn)
  (segid A*  and resid 13 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 13 and name hn)
  (segid A*  and resid 13 and name hb1) 3.0 1.2 0.5
assign (segid A*  and resid 13 and name hn)
  (segid A*  and resid 13 and name hb2) 2.5 0.7 0.2
assign (segid A*  and resid 13 and name ha)
  (segid A*  and resid 13 and name hb1) 3.0 1.2 0.5
assign (segid A*  and resid 13 and name ha)
  (segid A*  and resid 13 and name hb2) 2.5 0.7 0.2
!Val-14
assign (segid A*  and resid 14 and name hn)
  (segid A*  and resid 14 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 14 and name hn)
  (segid A*  and resid 14 and name hb) 3.0 1.2 0.5
assign (segid A*  and resid 14 and name ha)
  (segid A*  and resid 14 and name hb) 2.5 0.7 0.2
!Cys-15
assign (segid A*  and resid 15 and name hn)
  (segid A*  and resid 15 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 15 and name hn)
  (segid A*  and resid 15 and name hb1) 3.0 1.2 1.0
assign (segid A*  and resid 15 and name hn)
  (segid A*  and resid 15 and name hb2) 2.5 0.7 0.2
assign (segid A*  and resid 15 and name ha)
  (segid A*  and resid 15 and name hb1) 2.5 0.7 0.2
assign (segid A*  and resid 15 and name ha)
  (segid A*  and resid 15 and name hb2) 3.0 1.2 0.5
!Val-16
assign (segid A*  and resid 16 and name hn)
  (segid A*  and resid 16 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 16 and name hn)
  (segid A*  and resid 16 and name hb) 3.0 1.2 1.0
assign (segid A*  and resid 16 and name ha)
  (segid A*  and resid 16 and name hb) 2.5 0.7 0.2
!Gly-17]
assign (segid A*  and resid 17 and name hn)
  (segid A*  and resid 17 and name ha#) 2.5 0.7 0.2
!Arg-18
assign (segid A*  and resid 18 and name hn)
  (segid A*  and resid 18 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 18 and name hn)
  (segid A*  and resid 18 and name hb#) 3.0 1.2 0.5
assign (segid A*  and resid 18 and name ha)
  (segid A*  and resid 18 and name hb#) 2.5 0.7 0.2
!A.3.2.Intraresidue: intramonomer B
!Arg-1
assign (segid B*  and resid 1 and name ha)
  (segid B*  and resid 1 and name hb#) 3.0 1.2 0.5
!Gly-2
assign (segid B*  and resid 2 and name hn)
  (segid B*  and resid 2 and name ha#) 2.5 0.7 0.2
!Gly-3
assign (segid B*  and resid 3 and name hn)
  (segid B*  and resid 3 and name ha#) 2.5 0.7 0.2
!Gly-4
assign (segid B*  and resid 4 and name hn)
  (segid B*  and resid 4 and name ha#) 2.5 0.7 0.2
!Leu-5
assign (segid B*  and resid 5 and name hn)
  (segid B*  and resid 5 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 5 and name hn)
  (segid B*  and resid 5 and name hb#) 3.0 1.2 0.5
assign (segid B*  and resid 5 and name ha)
  (segid B*  and resid 5 and name hb#) 4.0 1.7 1.0
!Cys-6
assign (segid B*  and resid 6 and name hn)
  (segid B*  and resid 6 and name ha) 4.0 1.7 1.0
assign (segid B*  and resid 6 and name hn)
  (segid B*  and resid 6 and name hb#) 4.0 1.7 1.0
assign (segid B*  and resid 6 and name ha)
  (segid B*  and resid 6 and name hb#) 3.0 1.2 0.5
!Tyr-7
assign (segid B*  and resid 7 and name hn)
  (segid B*  and resid 7 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 7 and name hn)
  (segid B*  and resid 7 and name hb#) 3.0 1.2 0.5
assign (segid B*  and resid 7 and name ha)
  (segid B*  and resid 7 and name hb#) 3.0 1.2 0.5
!Cys-8
assign (segid B*  and resid 8 and name hn)
  (segid B*  and resid 8 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 8 and name hn)
  (segid B*  and resid 8 and name hb1) 3.0 1.2 0.5
assign (segid B*  and resid 8 and name hn)
  (segid B*  and resid 8 and name hb2) 4.0 1.7 1.0
assign (segid B*  and resid 8 and name ha)
  (segid B*  and resid 8 and name hb1) 4.0 1.7 1.0
assign (segid B*  and resid 8 and name ha)
  (segid B*  and resid 8 and name hb2) 3.0 1.2 0.5
!Arg-9
assign (segid B*  and resid 9 and name hn)
  (segid B*  and resid 9 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 9 and name hn)
  (segid B*  and resid 9 and name hb1) 3.0 1.2 0.5
assign (segid B*  and resid 9 and name hn)
  (segid B*  and resid 9 and name hb2) 2.5 0.7 0.2
assign (segid B*  and resid 9 and name ha)
  (segid B*  and resid 9 and name hb1) 3.0 1.2 0.5
assign (segid B*  and resid 9 and name ha)
  (segid B*  and resid 9 and name hb2) 3.0 1.2 0.5
!Arg-10
assign (segid B*  and resid 10 and name hn)
  (segid B*  and resid 10 and name ha) 2.5 0.7 0.2
assign (segid B*  and resid 10 and name hn)
  (segid B*  and resid 10 and name hb#) 3.0 1.2 0.5
assign (segid B*  and resid 10 and name ha)
  (segid B*  and resid 10 and name hb#) 3.0 1.2 0.5
!Arg-11
assign (segid B*  and resid 11 and name hn)
  (segid B*  and resid 11 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 11 and name hn)
  (segid B*  and resid 11 and name hb#) 2.5 0.7 0.2
assign (segid B*  and resid 11 and name ha)
  (segid B*  and resid 11 and name hb#) 2.5 0.7 0.2
!Phe-12
assign (segid B*  and resid 12 and name hn)
  (segid B*  and resid 12 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 12 and name hn)
  (segid B*  and resid 12 and name hb1) 3.0 1.2 0.5
assign (segid B*  and resid 12 and name hn)
  (segid B*  and resid 12 and name hb2) 4.0 1.7 1.0
assign (segid B*  and resid 12 and name ha)
  (segid B*  and resid 12 and name hb1) 3.0 1.2 0.5
assign (segid B*  and resid 12 and name ha)
  (segid B*  and resid 12 and name hb2) 3.0 1.2 0.5
!Cys-13
assign (segid B*  and resid 13 and name hn)
  (segid B*  and resid 13 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 13 and name hn)
  (segid B*  and resid 13 and name hb1) 3.0 1.2 0.5
assign (segid B*  and resid 13 and name hn)
  (segid B*  and resid 13 and name hb2) 2.5 0.7 0.2
assign (segid B*  and resid 13 and name ha)
  (segid B*  and resid 13 and name hb1) 3.0 1.2 0.5
assign (segid B*  and resid 13 and name ha)
  (segid B*  and resid 13 and name hb2) 2.5 0.7 0.2
!Val-14
assign (segid B*  and resid 14 and name hn)
  (segid B*  and resid 14 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 14 and name hn)
  (segid B*  and resid 14 and name hb) 3.0 1.2 0.5
assign (segid B*  and resid 14 and name ha)
  (segid B*  and resid 14 and name hb) 2.5 0.7 0.2
!Cys-15
assign (segid B*  and resid 15 and name hn)
  (segid B*  and resid 15 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 15 and name hn)
  (segid B*  and resid 15 and name hb1) 3.0 1.2 1.0
assign (segid B*  and resid 15 and name hn)
  (segid B*  and resid 15 and name hb2) 2.5 0.7 0.2
assign (segid B*  and resid 15 and name ha)
  (segid B*  and resid 15 and name hb1) 2.5 0.7 0.2
assign (segid B*  and resid 15 and name ha)
  (segid B*  and resid 15 and name hb2) 3.0 1.2 0.5
!Val-16
assign (segid B*  and resid 16 and name hn)
  (segid B*  and resid 16 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 16 and name hn)
  (segid B*  and resid 16 and name hb) 3.0 1.2 1.0
assign (segid B*  and resid 16 and name ha)
  (segid B*  and resid 16 and name hb) 2.5 0.7 0.2
!Gly-17]
assign (segid B*  and resid 17 and name hn)
  (segid B*  and resid 17 and name ha#) 2.5 0.7 0.2
!Arg-18
assign (segid B*  and resid 18 and name hn)
  (segid B*  and resid 18 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 18 and name hn)
  (segid B*  and resid 18 and name hb#) 3.0 1.2 0.5
assign (segid B*  and resid 18 and name ha)
  (segid B*  and resid 18 and name hb#) 2.5 0.7 0.2


Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Tuesday, May 28, 2024 11:01:07 PM GMT (wattos1)