BMRB

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
12601 1t52 RC 6219 cing 1-original 2 XPLOR/CNS distance NOE simple



! NH-NH NOEs
! i-i+1
assign (resid    2 and  name HN   )(resid    3 and  name HN   ) 2.5 0.7 0.2 !S
assign (resid    3 and  name HN   )(resid    4 and  name HN   ) 3.0 1.2 1.0 !M+ 
assign (resid    4 and  name HN   )(resid    5 and  name HN   ) 2.5 0.7 0.2 !S
assign (resid    5 and  name HN   )(resid    6 and  name HN   ) 2.5 0.7 0.2 !S
assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 2.5 0.7 0.2 !S
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 2.5 0.7 0.7 !S+
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 3.0 1.2 1.0 !M+
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 2.5 0.7 0.2 !S
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 2.5 0.7 0.2 !S
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 2.5 0.7 0.2 !S

! i-i+2
assign (resid    9 and  name HN   )(resid   11 and  name HN   ) 4.0 2.2 2.0 !W

! CaH-NH NOEs
! i-i+1
!assign (resid    3 and  name HN   )(resid    2 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    4 and  name HN   )(resid    3 and  name HA#  ) 3.0 1.2 0.5 !M
assign (resid    5 and  name HN   )(resid    4 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HN   )(resid    5 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    7 and  name HN   )(resid    6 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    8 and  name HN   )(resid    7 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    9 and  name HN   )(resid    8 and  name HA1  ) 3.0 1.2 0.5 !M
assign (resid    9 and  name HN   )(resid    8 and  name HA2  ) 3.0 1.2 0.5 !M
assign (resid   10 and  name HN   )(resid    9 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   12 and  name HN   )(resid   11 and  name HA   ) 3.0 1.2 0.5 !M

! i-i+3
assign (resid    5 and  name HN   )(resid    2 and  name HA   ) 4.0 2.2 2.0 !W
assign (resid    6 and  name HN   )(resid    3 and  name HA#  ) 3.0 1.2 1.5 !M+
assign (resid    7 and  name HN   )(resid    4 and  name HA   ) 4.0 2.2 2.0 !W
assign (resid    8 and  name HN   )(resid    5 and  name HA   ) 4.0 2.2 2.0 !W
assign (resid    9 and  name HN   )(resid    6 and  name HA   ) 3.0 1.2 1.5 !M+
assign (resid   11 and  name HN   )(resid    8 and  name HA1  ) 4.0 2.2 2.0 !W
assign (resid   11 and  name HN   )(resid    8 and  name HA2  ) 4.0 2.2 2.0 !W
assign (resid   12 and  name HN   )(resid    9 and  name HA   ) 3.0 1.2 1.0 !M+
assign (resid   13 and  name HN   )(resid   10 and  name HA   ) 3.0 1.2 0.5 !M

! i-i+4
assign (resid    7 and  name HN   )(resid    3 and  name HA#  ) 4.0 2.2 2.0 !W
assign (resid    8 and  name HN   )(resid    4 and  name HA   ) 4.0 2.2 2.0 !W
assign (resid   10 and  name HN   )(resid    6 and  name HA   ) 4.0 2.2 2.0 !W
 
! NH-Cb/Cg/CdH(sequential)
assign (resid    5 and  name HN   )(resid    4 and  name HB#  ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HN   )(resid    5 and  name HB   ) 2.5 0.7 0.2 !S
assign (resid    7 and  name HN   )(resid    6 and  name HB#  ) 3.0 1.2 1.0 !M+
assign (resid   10 and  name HN   )(resid    9 and  name HB   ) 3.0 1.2 1.0 !M+
assign (resid   11 and  name HN   )(resid   10 and  name HB#  ) 4.0 2.2 2.0 !W
assign (resid   12 and  name HN   )(resid   11 and  name HB#  ) 3.0 1.2 0.5 !M
assign (resid   13 and  name HN   )(resid   12 and  name HB#  ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HN   )(resid    5 and  name HG1# ) 4.0 2.2 2.0 !W
assign (resid    6 and  name HN   )(resid    5 and  name HG2# ) 4.0 2.2 2.0 !W
assign (resid   10 and  name HN   )(resid    9 and  name HG2# ) 4.0 2.2 2.0 !W
assign (resid   10 and  name HN   )(resid   11 and  name HB   ) 4.0 2.2 2.0 !W

! NH-Cb/Cg/CdH(i-i+2)
assign (resid    6 and  name HN   )(resid    4 and  name HB1  ) 4.0 2.2 2.0 !W

! NH-Cb/Cg/CdH(i-i+3)
assign (resid    3 and  name HN   )(resid    6 and  name HB#  ) 4.0 2.2 2.0 !W
assign (resid    7 and  name HN   )(resid    4 and  name HB#  ) 4.0 2.2 2.0 !W
assign (resid    8 and  name HN   )(resid    5 and  name HB   ) 4.0 2.2 2.0 !W
assign (resid   12 and  name HN   )(resid    9 and  name HG2# ) 4.0 2.2 2.0 !W

! Other inter-residual NOEs (sequential)
assign (resid    6 and  name HE1  )(resid    3 and  name HA   ) 4.0 2.2 2.0 !W
assign (resid    6 and  name HE1  )(resid    2 and  name HA   ) 4.0 2.2 2.0 !W
assign (resid   13 and  name HD2  )(resid   10 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   13 and  name HE2  )(resid   10 and  name HA   ) 4.0 2.2 2.0 !W

! Intra-residual NOEs
assign (resid    2 and  name HN   )(resid    2 and  name HB2  ) 2.5 0.7 0.2 !S
assign (resid    2 and  name HN   )(resid    2 and  name HG   ) 2.5 0.7 0.2 !S
assign (resid    4 and  name HN   )(resid    4 and  name HB#  ) 2.5 0.7 0.2 !S
assign (resid    4 and  name HN   )(resid    4 and  name HG#  ) 2.5 0.7 0.2 !S
assign (resid    5 and  name HN   )(resid    5 and  name HB   ) 2.5 0.7 0.2 !S
assign (resid    5 and  name HN   )(resid    5 and  name HG#  ) 3.0 1.2 0.5 !M
assign (resid    5 and  name HN   )(resid    5 and  name HD1# ) 4.0 2.2 2.0 !W
assign (resid    6 and  name HN   )(resid    6 and  name HB#  ) 2.5 0.7 0.2 !S
assign (resid    6 and  name HN   )(resid    6 and  name HE3  ) 3.0 1.2 1.0 !M+
assign (resid    6 and  name HN   )(resid    6 and  name HE1  ) 3.0 1.2 1.0 !M+
assign (resid    7 and  name HN   )(resid    7 and  name HB#  ) 2.5 0.7 0.5 !S+
assign (resid    7 and  name HN   )(resid    7 and  name HG#  ) 4.0 2.2 2.0 !W
assign (resid    9 and  name HN   )(resid    9 and  name HB   ) 3.0 1.2 0.5 !M
assign (resid    9 and  name HN   )(resid    9 and  name HG1# ) 3.0 1.2 0.5 !M
assign (resid    9 and  name HN   )(resid    9 and  name HD1# ) 4.0 2.2 2.0 !W
assign (resid   10 and  name HN   )(resid   10 and  name HB#  ) 3.0 1.2 0.5 !M
assign (resid   10 and  name HN   )(resid   10 and  name HG#  ) 3.0 1.2 0.5 !M
assign (resid   10 and  name HN   )(resid   10 and  name HD#  ) 4.0 2.2 2.0 !W
assign (resid   11 and  name HN   )(resid   11 and  name HB#  ) 2.5 0.7 0.2 !S
assign (resid   12 and  name HN   )(resid   12 and  name HB#  ) 2.5 0.7 0.2 !S
assign (resid   12 and  name HN   )(resid   12 and  name HG   ) 4.0 2.2 2.0 !W
assign (resid   12 and  name HN   )(resid   12 and  name HD1# ) 4.0 2.2 2.0 !W
assign (resid   12 and  name HN   )(resid   12 and  name HD2# ) 4.0 2.2 2.0 !W
assign (resid   13 and  name HN   )(resid   13 and  name HB#  ) 3.0 1.2 0.5 !M
assign (resid   13 and  name HB#  )(resid   13 and  name HE#  ) 4.0 2.2 2.0 !W
assign (resid   13 and  name HB#  )(resid   13 and  name HD#  ) 4.0 2.2 2.0 !W
assign (resid   13 and  name HA   )(resid   13 and  name HD#  ) 4.0 2.2 2.0 !W


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