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
1841 1b03 cing 1-original 2 XPLOR/CNS distance NOE simple


!! a list of constraints for P1053 after N15 labelling
!!
!! ARG 4
!!intra
assign (resid    4 and  name HA  )(resid     4 and  name HG#  ) 3.0 1.0 0.5 
assign (resid    4 and  name HA  )(resid     4 and  name HD#  ) 4.0 2.0 1.0
assign (resid    4 and  name HB# )(resid     4 and  name HD#  ) 4.0 2.0 1.0
!!sequential
!!medium and long range
assign (resid    4 and  name HA  )(resid    19 and  name HG2# ) 4.0 2.0 1.0
assign (resid    4 and  name HD# )(resid    19 and  name HG2# ) 3.0 1.0 0.5
assign (resid    4 and  name HB1 )(resid    19 and  name HG2# ) 4.0 2.0 1.0
assign (resid    4 and  name HB2 )(resid    19 and  name HG2# ) 4.0 2.0 1.0
!!
!! LYS 5
!!intra
assign (resid    5 and  name HA  )(resid     5 and  name HE#  ) 4.0 2.0 1.0
assign (resid    5 and  name HA  )(resid     5 and  name HG#  ) 3.0 1.0 0.3
assign (resid    5 and  name HE# )(resid     5 and  name HG#  ) 3.0 1.0 0.3
!!medium and long range
assign (resid    5 and  name HA  )(resid    20 and  name HD1# ) 4.0 2.0 1.0
assign (resid    5 and  name HE# )(resid     7 and  name HD1# ) 4.0 2.0 1.0
assign (resid    5 and  name HE# )(resid     7 and  name HG2# ) 4.0 2.0 1.0
assign (resid    5 and  name HE# )(resid    20 and  name HD1# ) 4.0 2.0 1.0
assign (resid    5 and  name HB# )(resid    20 and  name HG2# ) 4.0 2.0 1.0
assign (resid    5 and  name HB# )(resid    20 and  name HD1# ) 4.0 2.0 1.0
assign (resid    5 and  name HB# )(resid     7 and  name HG2# ) 4.0 2.0 1.0
assign (resid    5 and  name HG# )(resid    20 and  name HD1# ) 4.0 2.0 1.0
assign (resid    5 and  name HG# )(resid     7 and  name HG2# ) 4.0 2.0 1.0
!!
!! SER 6
!!intra
assign (resid    6 and  name HN  )(resid     6 and  name HB#  ) 3.0 1.0 1.0
!!sequential
assign (resid    6 and  name HN  )(resid     5 and  name HA   ) 2.3 0.3 0.2
assign (resid    6 and  name HN  )(resid     5 and  name HB#  ) 3.0 1.0 0.3
assign (resid    6 and  name HN  )(resid     5 and  name HG#  ) 4.0 2.0 1.0
!!medium and long range
assign (resid    6 and  name HA  )(resid    19 and  name HA   ) 2.3 0.3 0.2
assign (resid    6 and  name HA  )(resid    19 and  name HB   ) 4.0 2.0 1.0
assign (resid    6 and  name HA  )(resid    19 and  name HG2# ) 3.0 1.0 0.5
assign (resid    6 and  name HB1 )(resid    19 and  name HG2# ) 4.0 2.0 1.0 
assign (resid    6 and  name HB2 )(resid    19 and  name HG2# ) 4.0 2.0 1.0
assign (resid    6 and  name HA  )(resid    20 and  name HG1# ) 4.0 2.0 1.0
assign (resid    6 and  name HA  )(resid    20 and  name HG2# ) 4.0 2.0 1.0
!! 
!! ILE 7
!!intra
assign (resid    7 and  name HN  )(resid     7 and  name HB   ) 4.0 2.0 1.0
assign (resid    7 and  name HN  )(resid     7 and  name HD1# ) 4.0 2.0 1.0
assign (resid    7 and  name HN  )(resid     7 and  name HG2# ) 3.0 1.0 1.0
assign (resid    7 and  name HN  )(resid     7 and  name HG11 ) 3.0 1.0 1.0
assign (resid    7 and  name HN  )(resid     7 and  name HG12 ) 3.0 1.0 1.0
assign (resid    7 and  name HA  )(resid     7 and  name HD1# ) 4.0 2.0 1.0
assign (resid    7 and  name HA  )(resid     7 and  name HG2# ) 2.5 0.5 0.5
assign (resid    7 and  name HA  )(resid     7 and  name HG11 ) 4.0 2.0 1.0
assign (resid    7 and  name HA  )(resid     7 and  name HG12 ) 4.0 2.0 1.0
assign (resid    7 and  name HB  )(resid     7 and  name HD1# ) 3.0 1.0 1.0
!!sequential
assign (resid    7 and  name HN  )(resid     6 and  name HA   ) 2.3 0.3 0.2
assign (resid    7 and  name HN  )(resid     6 and  name HB1  ) 3.0 1.0 1.5
assign (resid    7 and  name HN  )(resid     6 and  name HB2  ) 3.0 1.0 1.5
!!medium and long range
assign (resid    7 and  name HN  )(resid    19 and  name HA   ) 4.0 2.0 1.0
assign (resid    7 and  name HN  )(resid    18 and  name HG1# ) 4.0 2.0 1.0
assign (resid    7 and  name HN  )(resid    18 and  name HG2# ) 4.0 2.0 1.0
assign (resid    7 and  name HN  )(resid    17 and  name HD#  ) 4.0 2.0 0.5
assign (resid    7 and  name HD1#)(resid    18 and  name HG1# ) 4.0 2.0 1.0
assign (resid    7 and  name HD1#)(resid    18 and  name HG2# ) 4.0 2.0 1.0
!!
!! ARG 8
!!intra
assign (resid    8 and  name HN  )(resid     8 and  name HB#  ) 4.0 2.0 1.0
assign (resid    8 and  name HN  )(resid     8 and  name HG#  ) 3.0 1.0 1.0
!!sequential
assign (resid    8 and  name HN  )(resid     7 and  name HA   ) 2.3 0.3 0.2
assign (resid    8 and  name HN  )(resid     7 and  name HB   ) 2.5 0.5 0.2
assign (resid    8 and  name HN  )(resid     7 and  name HD1# ) 4.0 2.0 1.0
assign (resid    8 and  name HN  )(resid     7 and  name HG2# ) 3.0 1.0 0.5
assign (resid    8 and  name HN  )(resid     7 and  name HG1# ) 4.0 2.0 1.0
!!medium and long range
assign (resid    8 and  name HN  )(resid    17 and  name HD#  ) 4.0 2.0 1.0
!!
!! ILE 9
!!intra
assign (resid    9 and  name HN  )(resid     9 and  name HD1# ) 3.0 1.0 1.0
assign (resid    9 and  name HN  )(resid     9 and  name HG2# ) 3.0 1.0 0.5
assign (resid    9 and  name HN  )(resid     9 and  name HG1# ) 4.0 2.0 1.0
assign (resid    9 and  name HN  )(resid     9 and  name HB   ) 4.0 2.0 1.0
assign (resid    9 and  name HA  )(resid     9 and  name HG1# ) 3.0 1.0 1.0
assign (resid    9 and  name HA  )(resid     9 and  name HG2# ) 3.0 1.0 0.3
assign (resid    9 and  name HB  )(resid     9 and  name HD1# ) 3.0 1.0 1.0
!!sequential
assign (resid    9 and  name HN  )(resid     8 and  name HN   ) 4.0 2.0 0.5
assign (resid    9 and  name HN  )(resid     8 and  name HA   ) 2.5 0.5 0.2
!!medium and long range
assign (resid    9 and  name HN  )(resid    17 and  name HA   ) 3.0 1.0 0.5
assign (resid    9 and  name HN  )(resid    18 and  name HG2# ) 4.0 2.0 1.0
assign (resid    9 and  name HN  )(resid     7 and  name HG1# ) 4.0 2.0 1.0
assign (resid    9 and  name HA  )(resid    18 and  name HG2# ) 4.0 2.0 1.0
assign (resid    9 and  name HB  )(resid    18 and  name HG2# ) 4.0 2.0 1.0
assign (resid    9 and  name HA  )(resid     7 and  name HD1# ) 3.0 1.0 1.0
assign (resid    9 and  name HA  )(resid     7 and  name HG2# ) 4.0 2.0 1.0
assign (resid    9 and  name HG2#)(resid     7 and  name HD1# ) 4.0 2.0 1.0
!!
!! GLN 10
!!intra
assign (resid   10 and  name HN  )(resid    10 and  name HB#  ) 3.0 1.0 1.0
assign (resid   10 and  name HN  )(resid    10 and  name HG#  ) 4.0 2.0 1.0
assign (resid   10 and  name HA  )(resid    10 and  name HG#  ) 4.0 2.0 1.0
assign (resid   10 and  name HE2#)(resid    10 and  name HB#  ) 4.0 2.0 1.0
!!sequential
assign (resid   10 and  name HN  )(resid     9 and  name HA   ) 2.3 0.3 0.2
assign (resid   10 and  name HN  )(resid     9 and  name HB   ) 3.0 1.0 0.3
assign (resid   10 and  name HN  )(resid     9 and  name HD1# ) 4.0 2.0 1.0
assign (resid   10 and  name HN  )(resid     9 and  name HG2# ) 4.0 2.0 1.0
assign (resid   10 and  name HN  )(resid     9 and  name HG1# ) 3.0 1.0 0.5
!!
!! ARG 11
!!intra
assign (resid   11 and  name HN  )(resid    11 and  name HB#  ) 3.0 1.0 0.5
assign (resid   11 and  name HN  )(resid    11 and  name HD#  ) 4.0 2.0 1.0   
assign (resid   11 and  name HA  )(resid    11 and  name HG#  ) 3.0 1.0 0.3
assign (resid   11 and  name HA  )(resid    11 and  name HD#  ) 4.0 2.0 1.0 
assign (resid   11 and  name HB# )(resid    11 and  name HD#  ) 3.0 1.0 0.3
!!sequential
assign (resid   11 and  name HN  )(resid    10 and  name HA   ) 3.0 1.0 0.3
assign (resid   11 and  name HN  )(resid    10 and  name HN   ) 3.0 1.0 0.5
assign (resid   11 and  name HN  )(resid    10 and  name HB#  ) 4.0 2.0 1.0
!!medium and long range
assign (resid   11 and  name HN  )(resid     9 and  name HD1# ) 4.0 2.0 1.0
assign (resid   11 and  name HN  )(resid     9 and  name HG2# ) 4.0 2.0 1.0
assign (resid   11 and  name HN  )(resid     9 and  name HB   ) 4.0 2.0 1.0
assign (resid   11 and  name HD# )(resid     9 and  name HD1# ) 4.0 2.0 1.0
!!
!! GLY 12
!!sequential
assign (resid   12 and  name HN  )(resid    11 and  name HA   ) 2.5 0.5 0.2
assign (resid   12 and  name HN  )(resid    11 and  name HB#  ) 3.0 1.0 0.3
assign (resid   12 and  name HN  )(resid    11 and  name HG#  ) 4.0 2.0 1.0
assign (resid   12 and  name HN  )(resid    11 and  name HD#  ) 4.0 2.0 1.0
assign (resid   12 and  name HA1 )(resid    13 and  name HB1  ) 4.0 2.0 1.0
assign (resid   12 and  name HA2 )(resid    13 and  name HB1  ) 4.0 2.0 1.0
assign (resid   12 and  name HA1 )(resid    13 and  name HB2  ) 4.0 2.0 1.0
assign (resid   12 and  name HA2 )(resid    13 and  name HB2  ) 4.0 2.0 1.0
assign (resid   12 and  name HN  )(resid    13 and  name HA   ) 4.0 2.0 1.0
!!
!! PRO 13 (patched cis)
!! sequential
assign (resid   13 and  name HA  )(resid    12 and  name HA1  ) 2.5 0.5 0.2
assign (resid   13 and  name HA  )(resid    12 and  name HA2  ) 2.5 0.5 0.2
!!
!! GLY 14
!!sequential
assign (resid   14 and  name HN  )(resid    13 and  name HA   ) 2.3 0.3 0.2
assign (resid   14 and  name HN  )(resid    13 and  name HB#  ) 4.0 2.0 1.0
!!medium and long range
assign (resid   14 and  name HN  )(resid    12 and  name HA#  ) 3.0 1.0 0.3
!!
!! ARG 15
!!intra
assign (resid   15 and  name HA  )(resid    15 and  name HD#  ) 3.0 1.0 0.3
!!sequential
assign (resid   15 and  name HN  )(resid    14 and  name HA1  ) 3.0 1.0 0.3
assign (resid   15 and  name HN  )(resid    14 and  name HA2  ) 3.0 1.0 0.3
!!
!! ALA 16
!!intra
assign (resid   16 and  name HN  )(resid    16 and  name HB#  ) 3.0 1.0 0.3
!!sequential
assign (resid   16 and  name HN  )(resid    15 and  name  HA  ) 3.0 1.0 0.3
assign (resid   16 and  name HN  )(resid    15 and  name  HD# ) 4.0 2.0 1.0
!!medium and long range
assign (resid   16 and  name HN  )(resid    10 and  name  HA  ) 4.0 2.0 1.0
assign (resid   16 and  name HN  )(resid     9 and  name  HD1#) 4.0 2.0 1.0
assign (resid   16 and  name HN  )(resid     9 and  name  HG2#) 4.0 2.0 1.0
assign (resid   16 and  name HN  )(resid     9 and  name  HG1#) 4.0 2.0 1.0
assign (resid   16 and  name HA  )(resid     9 and  name  HD1#) 4.0 2.0 1.0
assign (resid   16 and  name HB# )(resid     9 and  name  HD1#) 4.0 2.0 1.0
!!
!! PHE 17
!!intra
assign (resid   17 and  name HN  )(resid    17 and  name HB#  ) 3.0 1.0 0.3
assign (resid   17 and  name HN  )(resid    17 and  name HD#  ) 3.0 1.0 1.0
assign (resid   17 and  name HB1 )(resid    17 and  name HD#  ) 2.5 0.5 0.5
assign (resid   17 and  name HB2 )(resid    17 and  name HD#  ) 2.5 0.5 0.5
assign (resid   17 and  name HD# )(resid    17 and  name HA   ) 3.0 1.0 1.0
!!sequential
assign (resid   17 and  name HN  )(resid    16 and  name HN   ) 4.0 2.0 0.5
assign (resid   17 and  name HN  )(resid    16 and  name HA   ) 2.3 0.3 0.2
assign (resid   17 and  name HN  )(resid    16 and  name HB#  ) 3.0 1.0 0.3
assign (resid   17 and  name HD# )(resid    16 and  name HA   ) 4.0 2.0 1.0
assign (resid   17 and  name HD# )(resid    16 and  name HB#  ) 4.0 2.0 1.0
assign (resid   17 and  name HD# )(resid    18 and  name HA   ) 4.0 2.0 1.0
assign (resid   17 and  name HD# )(resid    18 and  name HG2# ) 4.0 2.0 1.0
!!medium and long range
assign (resid   17 and  name HD# )(resid    19 and  name HA   ) 4.0 2.0 1.0
assign (resid   17 and  name HD# )(resid     7 and  name HA   ) 3.0 1.0 0.5
assign (resid   17 and  name HD# )(resid     7 and  name HG2# ) 4.0 2.0 1.0
assign (resid   17 and  name HD# )(resid     7 and  name HG1# ) 4.0 2.0 1.0
assign (resid   17 and  name HD# )(resid     9 and  name HD1# ) 4.0 2.0 1.0
assign (resid   17 and  name HD# )(resid     6 and  name HB1  ) 3.0 1.0 0.3
assign (resid   17 and  name HD# )(resid     6 and  name HB2  ) 3.0 1.0 0.3
assign (resid   17 and  name HD# )(resid     6 and  name HA   ) 4.0 2.0 1.0
assign (resid   17 and  name HA  )(resid     8 and  name HA   ) 3.0 1.0 1.0
assign (resid   17 and  name HN  )(resid     9 and  name HD1# ) 4.0 2.0 1.0
!!
!! VAL 18
!!intra
assign (resid   18 and  name HN  )(resid    18 and  name HB   ) 4.0 2.0 1.0
assign (resid   18 and  name HN  )(resid    18 and  name HG2# ) 3.0 1.0 0.5
assign (resid   18 and  name HN  )(resid    18 and  name HG1# ) 4.0 2.0 1.0
assign (resid   18 and  name HA  )(resid    18 and  name HB   ) 2.5 0.5 0.5
assign (resid   18 and  name HA  )(resid    18 and  name HG2# ) 3.0 1.0 1.0
assign (resid   18 and  name HA  )(resid    18 and  name HG1# ) 3.0 1.0 0.3
!!sequential
assign (resid   18 and  name HN  )(resid    17 and  name HN   ) 4.0 2.0 1.0
assign (resid   18 and  name HN  )(resid    17 and  name HA   ) 2.3 0.3 0.2
assign (resid   18 and  name HN  )(resid    17 and  name HB1  ) 4.0 2.0 1.0
assign (resid   18 and  name HN  )(resid    17 and  name HB2  ) 4.0 2.0 1.0
assign (resid   18 and  name HN  )(resid    17 and  name HD#  ) 3.0 1.0 1.0
!!medium and long range
assign (resid   18 and  name HN  )(resid     7 and  name HN   ) 3.0 1.0 0.5
assign (resid   18 and  name HN  )(resid     7 and  name HD1# ) 4.0 2.0 1.0
assign (resid   18 and  name HN  )(resid     7 and  name HG1# ) 4.0 2.0 1.0
assign (resid   18 and  name HN  )(resid     9 and  name HN   ) 4.0 2.0 1.0
assign (resid   18 and  name HN  )(resid     9 and  name HG2# ) 4.0 2.0 1.0
assign (resid   18 and  name HA  )(resid     9 and  name HG2# ) 4.0 2.0 1.0
assign (resid   18 and  name HB  )(resid     9 and  name HG2# ) 3.0 1.0 1.0
!!
!! THR 19
!!intra
assign (resid   19 and  name HN  )(resid    19 and  name HB   ) 2.5 0.5 0.2
assign (resid   19 and  name HN  )(resid    19 and  name HG2# ) 4.0 2.0 1.0
assign (resid   19 and  name HA  )(resid    19 and  name HG2# ) 2.5 0.5 0.2
!!sequential
assign (resid   19 and  name HN  )(resid    18 and  name HA   ) 2.3 0.3 0.2
assign (resid   19 and  name HN  )(resid    18 and  name HB   ) 3.0 1.0 0.3
assign (resid   19 and  name HN  )(resid    18 and  name HG1# ) 3.0 1.0 0.5
assign (resid   19 and  name HN  )(resid    18 and  name HG2# ) 4.0 2.0 1.0
!!medium and long range
assign (resid   19 and  name HA  )(resid     6 and  name HB1  ) 3.0 1.0 1.0
assign (resid   19 and  name HA  )(resid     6 and  name HB2  ) 3.0 1.0 1.0
!!
!! ILE 20
!intra
assign (resid   20 and  name HN  )(resid    20 and  name HD1# ) 4.0 2.0 1.0
assign (resid   20 and  name HN  )(resid    20 and  name HG11 ) 4.0 2.0 1.0
assign (resid   20 and  name HN  )(resid    20 and  name HG12 ) 4.0 2.0 1.0
assign (resid   20 and  name HN  )(resid    20 and  name HG2# ) 4.0 2.0 1.0
assign (resid   20 and  name HN  )(resid    20 and  name HB   ) 3.0 1.0 0.3
assign (resid   20 and  name HA  )(resid    20 and  name HD1# ) 3.0 1.0 1.0
assign (resid   20 and  name HA  )(resid    20 and  name HG2# ) 3.0 1.0 0.5
assign (resid   20 and  name HA  )(resid    20 and  name HG1# ) 3.0 1.0 0.3
assign (resid   20 and  name HB  )(resid    20 and  name HG2# ) 3.0 1.0 0.5
!!sequential
assign (resid   20 and  name HN  )(resid    19 and  name HA   ) 2.3 0.3 0.2
assign (resid   20 and  name HN  )(resid    19 and  name HN   ) 4.0 2.0 1.0
assign (resid   20 and  name HN  )(resid    19 and  name HB   ) 4.0 2.0 1.0
assign (resid   20 and  name HN  )(resid    19 and  name HG2# ) 4.0 2.0 1.0
!!medium and long range
assign (resid   20 and  name HN  )(resid     6 and  name HA   ) 3.0 1.0 0.3
assign (resid   20 and  name HA  )(resid     5 and  name HB#  ) 4.0 2.0 1.0
assign (resid   20 and  name HG2#)(resid     7 and  name HD1# ) 4.0 2.0 1.0
!!
!! GLY 21
!!sequential
assign (resid   21 and  name HN  )(resid    20 and  name HN   ) 4.0 2.0 1.0
assign (resid   21 and  name HN  )(resid    20 and  name HA   ) 2.3 0.3 0.2
assign (resid   21 and  name HN  )(resid    20 and  name HD1# ) 4.0 2.0 1.0
assign (resid   21 and  name HN  )(resid    20 and  name HG2# ) 3.0 1.0 0.5
assign (resid   21 and  name HN  )(resid    20 and  name HG11 ) 4.0 2.0 1.0
assign (resid   21 and  name HN  )(resid    20 and  name HG12 ) 4.0 2.0 1.0
assign (resid   21 and  name HN  )(resid    20 and  name HB   ) 3.0 1.0 0.3




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