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
6774 1ji9 5066 cing 1-original 1 XPLOR/CNS distance NOE simple


! NH(i)-NH(j)
assign (resid     5 and  name HN   )(resid    6 and  name HN   ) 1.8 0.0 3.2
assign (resid     6 and  name HN   )(resid    7 and  name HN   ) 1.8 0.0 0.9
assign (resid    10 and  name HN   )(resid   11 and  name HN   ) 1.8 0.0 1.5
assign (resid    11 and  name HN   )(resid   12 and  name HN   ) 1.8 0.0 3.2
assign (resid    12 and  name HN   )(resid   13 and  name HN   ) 1.8 0.0 0.9
assign (resid    12 and  name HN   )(resid   14 and  name HN   ) 1.8 0.0 3.2
assign (resid    13 and  name HN   )(resid   14 and  name HN   ) 1.8 0.0 0.9
assign (resid    13 and  name HN   )(resid   15 and  name HN   ) 1.8 0.0 1.5
assign (resid    14 and  name HN   )(resid   15 and  name HN   ) 1.8 0.0 0.9
assign (resid    15 and  name HN   )(resid   16 and  name HN   ) 1.8 0.0 0.9
assign (resid    16 and  name HN   )(resid   17 and  name HN   ) 1.8 0.0 0.9
assign (resid    11 and  name HN   )(resid   13 and  name HN   ) 1.8 0.0 3.2
assign (resid    11 and  name HN   )(resid   14 and  name HN   ) 1.8 0.0 3.2
assign (resid    17 and  name HN   )(resid   18 and  name HN   ) 1.8 0.0 3.2
assign (resid    18 and  name HN   )(resid   19 and  name HN   ) 1.8 0.0 3.2
assign (resid    19 and  name HN   )(resid   20 and  name HN   ) 1.8 0.0 0.9
assign (resid    20 and  name HN   )(resid   21 and  name HN   ) 1.8 0.0 0.9
assign (resid    21 and  name HN   )(resid   22 and  name HN   ) 1.8 0.0 1.5
assign (resid    22 and  name HN   )(resid   23 and  name HN   ) 1.8 0.0 3.2
assign (resid    23 and  name HN   )(resid   24 and  name HN   ) 1.8 0.0 1.5
assign (resid    24 and  name HN   )(resid   25 and  name HN   ) 1.8 0.0 1.5
assign (resid    24 and  name HN   )(resid   26 and  name HN   ) 1.8 0.0 3.2
assign (resid    25 and  name HN   )(resid   26 and  name HN   ) 1.8 0.0 1.5
assign (resid    26 and  name HN   )(resid   27 and  name HN   ) 1.8 0.0 1.5
assign (resid    29 and  name HN   )(resid   30 and  name HN   ) 1.8 0.0 0.9
assign (resid    31 and  name HN   )(resid   32 and  name HN   ) 1.8 0.0 1.5
assign (resid    32 and  name HN   )(resid   33 and  name HN   ) 1.8 0.0 3.2
assign (resid    34 and  name HN   )(resid   35 and  name HN   ) 1.8 0.0 0.9
assign (resid    33 and  name HN   )(resid   35 and  name HN   ) 1.8 0.0 3.2
assign (resid    35 and  name HN   )(resid   36 and  name HN   ) 1.8 0.0 0.9
assign (resid    36 and  name HN   )(resid   37 and  name HN   ) 1.8 0.0 0.9
assign (resid    35 and  name HN   )(resid   37 and  name HN   ) 1.8 0.0 3.2
assign (resid    33 and  name HN   )(resid   34 and  name HN   ) 1.8 0.0 3.2
assign (resid    34 and  name HN   )(resid   36 and  name HN   ) 1.8 0.0 3.2
assign (resid    30 and  name HN   )(resid   31 and  name HN   ) 1.8 0.0 1.5
! NH(i)-any(j)
assign (resid     2 and  name HN   )(resid    1 and  name HA   ) 1.8 0.0 1.5
assign (resid     2 and  name HN   )(resid    1 and  name HB#  ) 1.8 0.0 1.5
assign (resid     3 and  name HN   )(resid    2 and  name HA   ) 1.8 0.0 1.5
assign (resid     3 and  name HN   )(resid    2 and  name HB#  ) 1.8 0.0 1.5
assign (resid     3 and  name HN   )(resid    9 and  name HA   ) 1.8 0.0 3.2
assign (resid     3 and  name HN   )(resid    9 and  name HB#  ) 1.8 0.0 3.7
assign (resid     4 and  name HN   )(resid    2 and  name HB#  ) 1.8 0.0 3.2
assign (resid     5 and  name HN   )(resid    4 and  name HB#  ) 1.8 0.0 3.2
assign (resid     5 and  name HN   )(resid    4 and  name HA   ) 1.8 0.0 1.5
assign (resid     6 and  name HN   )(resid    4 and  name HA   ) 1.8 0.0 1.5
assign (resid     6 and  name HN   )(resid    4 and  name HB#  ) 1.8 0.0 1.5
assign (resid     6 and  name HN   )(resid    5 and  name HB#  ) 1.8 0.0 1.5
assign (resid     6 and  name HN   )(resid    5 and  name HA   ) 1.8 0.0 3.2
assign (resid     7 and  name HN   )(resid    6 and  name HA   ) 1.8 0.0 1.5
assign (resid     7 and  name HN   )(resid    6 and  name HB#  ) 1.8 0.0 2
assign (resid     7 and  name HN   )(resid    4 and  name HB#  ) 1.8 0.0 3.2
assign (resid     7 and  name HN   )(resid    5 and  name HA   ) 1.8 0.0 3.2
assign (resid     7 and  name HN   )(resid    8 and  name HD#  ) 1.8 0.0 3.2
assign (resid     9 and  name HN   )(resid    8 and  name HA   ) 1.8 0.0 0.9
assign (resid     9 and  name HN   )(resid    8 and  name HB#  ) 1.8 0.0 2
assign (resid     9 and  name HN   )(resid    2 and  name HB#  ) 1.8 0.0 3.2
assign (resid    10 and  name HN   )(resid    9 and  name HB#  ) 1.8 0.0 2
assign (resid    10 and  name HN   )(resid   11 and  name HB#  ) 1.8 0.0 3.2
assign (resid    11 and  name HN   )(resid    7 and  name HA   ) 1.8 0.0 3.2
assign (resid    11 and  name HN   )(resid    7 and  name HB#  ) 1.8 0.0 3.2
assign (resid    11 and  name HN   )(resid    8 and  name HG#  ) 1.8 0.0 3.2
assign (resid    11 and  name HN   )(resid    9 and  name HA   ) 1.8 0.0 3.2
assign (resid    11 and  name HN   )(resid    9 and  name HB#  ) 1.8 0.0 3.7
assign (resid    11 and  name HN   )(resid   14 and  name HB#  ) 1.8 0.0 3.7
assign (resid    11 and  name HN   )(resid   10 and  name HA#  ) 1.8 0.0 2
assign (resid    12 and  name HN   )(resid   11 and  name HA   ) 1.8 0.0 0.9
assign (resid    12 and  name HN   )(resid   11 and  name HB#  ) 1.8 0.0 3.2
assign (resid    12 and  name HN   )(resid   13 and  name HB#  ) 1.8 0.0 3.2
assign (resid    12 and  name HN   )(resid   13 and  name HG#  ) 1.8 0.0 3.7
assign (resid    12 and  name HN   )(resid   15 and  name HB#  ) 1.8 0.0 3.7
assign (resid    13 and  name HN   )(resid   11 and  name HB#  ) 1.8 0.0 3.2
assign (resid    13 and  name HN   )(resid   12 and  name HA   ) 1.8 0.0 1.5
assign (resid    13 and  name HN   )(resid   12 and  name HB#  ) 1.8 0.0 1.5
assign (resid    13 and  name HN   )(resid   19 and  name HG#  ) 1.8 0.0 3.7
assign (resid    12 and  name HN   )(resid   13 and  name HA   ) 1.8 0.0 3.2
assign (resid    13 and  name HN   )(resid   12 and  name HG#  ) 1.8 0.0 3.2
assign (resid    14 and  name HN   )(resid   12 and  name HB#  ) 1.8 0.0 3.2
assign (resid    14 and  name HN   )(resid   12 and  name HA   ) 1.8 0.0 1.5
assign (resid    14 and  name HN   )(resid   13 and  name HB#  ) 1.8 0.0 0.9
assign (resid    14 and  name HN   )(resid   13 and  name HG#  ) 1.8 0.0 3.2
assign (resid    13 and  name HN   )(resid   14 and  name HB#  ) 1.8 0.0 3.2
assign (resid    13 and  name HN   )(resid   14 and  name HA   ) 1.8 0.0 3.2
assign (resid    14 and  name HN   )(resid   13 and  name HA   ) 1.8 0.0 1.5
assign (resid    14 and  name HN   )(resid   13 and  name HD#  ) 1.8 0.0 3.2
assign (resid    14 and  name HN   )(resid   11 and  name HB#  ) 1.8 0.0 1.5
assign (resid    14 and  name HN   )(resid   19 and  name HG#  ) 1.8 0.0 3.7
assign (resid    15 and  name HN   )(resid   13 and  name HA   ) 1.8 0.0 3.2
assign (resid    15 and  name HN   )(resid   13 and  name HB#  ) 1.8 0.0 3.2
assign (resid    15 and  name HN   )(resid   11 and  name HB#  ) 1.8 0.0 3.2
assign (resid    15 and  name HN   )(resid   19 and  name HG#  ) 1.8 0.0 3.7
assign (resid    15 and  name HN   )(resid   14 and  name HA   ) 1.8 0.0 1.5
assign (resid    15 and  name HN   )(resid   14 and  name HB#  ) 1.8 0.0 3.2
assign (resid    14 and  name HN   )(resid   15 and  name HB#  ) 1.8 0.0 2
assign (resid    16 and  name HN   )(resid   14 and  name HA   ) 1.8 0.0 3.2
assign (resid    16 and  name HN   )(resid   15 and  name HA   ) 1.8 0.0 1.5
assign (resid    16 and  name HN   )(resid   15 and  name HB#  ) 1.8 0.0 2
assign (resid    17 and  name HN   )(resid   14 and  name HA   ) 1.8 0.0 3.2
assign (resid    17 and  name HN   )(resid   15 and  name HA   ) 1.8 0.0 3.2
assign (resid    17 and  name HN   )(resid   16 and  name HA   ) 1.8 0.0 1.5
assign (resid    17 and  name HN   )(resid   16 and  name HB#  ) 1.8 0.0 0.9
assign (resid    16 and  name HN   )(resid   17 and  name HB#  ) 1.8 0.0 3.2
assign (resid    16 and  name HN   )(resid   17 and  name HA   ) 1.8 0.0 3.2
assign (resid    17 and  name HN   )(resid   19 and  name HG#  ) 1.8 0.0 3.7
assign (resid    17 and  name HN   )(resid   16 and  name HD#  ) 1.8 0.0 3.2
assign (resid    17 and  name HN   )(resid   16 and  name HG#  ) 1.8 0.0 3.2
assign (resid    18 and  name HN   )(resid   17 and  name HA   ) 1.8 0.0 0.9
assign (resid    18 and  name HN   )(resid   17 and  name HB#  ) 1.8 0.0 3.2
assign (resid    18 and  name HN   )(resid   16 and  name HA   ) 1.8 0.0 3.2
assign (resid    18 and  name HN   )(resid   19 and  name HG#  ) 1.8 0.0 3.7
assign (resid    19 and  name HN   )(resid   18 and  name HA   ) 1.8 0.0 0.9
assign (resid    19 and  name HN   )(resid   18 and  name HB#  ) 1.8 0.0 3.2
assign (resid    19 and  name HN   )(resid   14 and  name HA   ) 1.8 0.0 1.5
assign (resid    19 and  name HN   )(resid   14 and  name HB#  ) 1.8 0.0 3.7
assign (resid    20 and  name HN   )(resid   14 and  name HA   ) 1.8 0.0 3.2
assign (resid    20 and  name HN   )(resid   18 and  name HB#  ) 1.8 0.0 3.2
assign (resid    20 and  name HN   )(resid   18 and  name HA   ) 1.8 0.0 1.5
assign (resid    20 and  name HN   )(resid   19 and  name HB   ) 1.8 0.0 3.2
assign (resid    20 and  name HN   )(resid   19 and  name HG#  ) 1.8 0.0 2
assign (resid    20 and  name HN   )(resid   21 and  name HG#  ) 1.8 0.0 3.7
assign (resid    20 and  name HN   )(resid   21 and  name HB#  ) 1.8 0.0 3.7
assign (resid    21 and  name HN   )(resid   20 and  name HB#  ) 1.8 0.0 3.2
assign (resid    21 and  name HN   )(resid   20 and  name HA   ) 1.8 0.0 1.5
assign (resid    22 and  name HN   )(resid   21 and  name HA   ) 1.8 0.0 1.5
assign (resid    22 and  name HN   )(resid   20 and  name HA   ) 1.8 0.0 1.5
assign (resid    22 and  name HN   )(resid   21 and  name HG#  ) 1.8 0.0 3.2
assign (resid    22 and  name HN   )(resid   21 and  name HB#  ) 1.8 0.0 1.5
assign (resid    22 and  name HN   )(resid   21 and  name HD#  ) 1.8 0.0 3.2
assign (resid    23 and  name HN   )(resid   22 and  name HA#  ) 1.8 0.0 1.5
assign (resid    24 and  name HN   )(resid   23 and  name HA   ) 1.8 0.0 0.9
assign (resid    24 and  name HN   )(resid   23 and  name HG#  ) 1.8 0.0 3.2
assign (resid    25 and  name HN   )(resid   24 and  name HA   ) 1.8 0.0 1.5
assign (resid    26 and  name HN   )(resid   25 and  name HA#  ) 1.8 0.0 1.5
assign (resid    26 and  name HN   )(resid   24 and  name HA   ) 1.8 0.0 3.2
assign (resid    26 and  name HN   )(resid   24 and  name HB#  ) 1.8 0.0 3.2
assign (resid    26 and  name HN   )(resid   24 and  name HG#  ) 1.8 0.0 3.2
assign (resid    27 and  name HN   )(resid   26 and  name HA   ) 1.8 0.0 0.9
assign (resid    27 and  name HN   )(resid   26 and  name HB#  ) 1.8 0.0 2
assign (resid    29 and  name HN   )(resid   28 and  name HB#  ) 1.8 0.0 1.4
assign (resid    29 and  name HN   )(resid   28 and  name HA   ) 1.8 0.0 1.5
assign (resid    30 and  name HN   )(resid   29 and  name HB#  ) 1.8 0.0 1.5
assign (resid    30 and  name HN   )(resid   29 and  name HA   ) 1.8 0.0 1.5
assign (resid    30 and  name HN   )(resid   29 and  name HG#  ) 1.8 0.0 1.5
assign (resid    32 and  name HN   )(resid   31 and  name HA   ) 1.8 0.0 1.5
assign (resid    32 and  name HN   )(resid   31 and  name HB#  ) 1.8 0.0 1.5
assign (resid    32 and  name HN   )(resid   31 and  name HG#  ) 1.8 0.0 3.2
assign (resid    32 and  name HN   )(resid   30 and  name HA   ) 1.8 0.0 3.2
assign (resid    31 and  name HN   )(resid   30 and  name HB#  ) 1.8 0.0 1.4
assign (resid    31 and  name HN   )(resid   29 and  name HA   ) 1.8 0.0 1.5
assign (resid    33 and  name HN   )(resid   32 and  name HB#  ) 1.8 0.0 1.5
assign (resid    33 and  name HN   )(resid   32 and  name HA   ) 1.8 0.0 0.9
assign (resid    33 and  name HN   )(resid   32 and  name HD#  ) 1.8 0.0 1.5
assign (resid    34 and  name HN   )(resid   33 and  name HB#  ) 1.8 0.0 1.5
assign (resid    34 and  name HN   )(resid   33 and  name HA   ) 1.8 0.0 1.5
assign (resid    34 and  name HN   )(resid   35 and  name HA   ) 1.8 0.0 3.2
assign (resid    34 and  name HN   )(resid   35 and  name HB#  ) 1.8 0.0 3.2
assign (resid    35 and  name HN   )(resid   34 and  name HB#  ) 1.8 0.0 3.2
assign (resid    35 and  name HN   )(resid   34 and  name HA   ) 1.8 0.0 1.5
assign (resid    35 and  name HN   )(resid   33 and  name HA   ) 1.8 0.0 3.2
assign (resid    35 and  name HN   )(resid   33 and  name HB#  ) 1.8 0.0 1.5
assign (resid    35 and  name HN   )(resid   36 and  name HA   ) 1.8 0.0 3.2
assign (resid    35 and  name HN   )(resid   36 and  name HB#  ) 1.8 0.0 3.2
assign (resid    36 and  name HN   )(resid   35 and  name HA   ) 1.8 0.0 1.5
assign (resid    36 and  name HN   )(resid   35 and  name HB#  ) 1.8 0.0 1.5
assign (resid    37 and  name HN   )(resid   36 and  name HA   ) 1.8 0.0 1.5
assign (resid    37 and  name HN   )(resid   36 and  name HB#  ) 1.8 0.0 3.2
assign (resid    37 and  name HN   )(resid   35 and  name HA   ) 1.8 0.0 3.2
assign (resid    37 and  name HN   )(resid   34 and  name HA   ) 1.8 0.0 3.2
assign (resid    37 and  name HN   )(resid   13 and  name HG#  ) 1.8 0.0 3.2
assign (resid    36 and  name HN   )(resid   37 and  name HA   ) 1.8 0.0 3.2
assign (resid    36 and  name HN   )(resid   37 and  name HG#  ) 1.8 0.0 3.2
assign (resid    36 and  name HN   )(resid   33 and  name HB#  ) 1.8 0.0 3.2
assign (resid    32 and  name HN   )(resid    6 and  name HB#  ) 1.8 0.0 3.2
assign (resid    32 and  name HN   )(resid    6 and  name HA   ) 1.8 0.0 3.2
assign (resid    33 and  name HN   )(resid    6 and  name HB#  ) 1.8 0.0 1.5
assign (resid    33 and  name HN   )(resid    6 and  name HA   ) 1.8 0.0 1.5
!  Intraresidue NOEs
assign (resid     1 and  name HN   )(resid    1 and  name HB#  ) 1.8 0.0 1.5
assign (resid     1 and  name HN   )(resid    1 and  name HD#  ) 1.8 0.0 1.5
assign (resid     1 and  name HA   )(resid    1 and  name HB#  ) 1.8 0.0 1.5
assign (resid     1 and  name HA   )(resid    1 and  name HD#  ) 1.8 0.0 3.2
assign (resid     1 and  name HA   )(resid    1 and  name HG#  ) 1.8 0.0 3.2
assign (resid     2 and  name HN   )(resid    2 and  name HA   ) 1.8 0.0 1.5
assign (resid     2 and  name HN   )(resid    2 and  name HB#  ) 1.8 0.0 1.5
assign (resid     2 and  name HA   )(resid    2 and  name HB#  ) 1.8 0.0 1.5
assign (resid     3 and  name HN   )(resid    3 and  name HA   ) 1.8 0.0 1.5
assign (resid     3 and  name HN   )(resid    3 and  name HB#  ) 1.8 0.0 1.5
assign (resid     3 and  name HA   )(resid    3 and  name HB#  ) 1.8 0.0 1.5
assign (resid     4 and  name HN   )(resid    4 and  name HA   ) 1.8 0.0 1.5
assign (resid     4 and  name HN   )(resid    4 and  name HB#  ) 1.8 0.0 3.2
assign (resid     4 and  name HA   )(resid    4 and  name HB#  ) 1.8 0.0 1.5
assign (resid     5 and  name HN   )(resid    5 and  name HA   ) 1.8 0.0 3.2
assign (resid     5 and  name HN   )(resid    5 and  name HB#  ) 1.8 0.0 3.2
assign (resid     5 and  name HA   )(resid    5 and  name HB#  ) 1.8 0.0 0.9
assign (resid     6 and  name HN   )(resid    6 and  name HA   ) 1.8 0.0 1.5
assign (resid     6 and  name HN   )(resid    6 and  name HB#  ) 1.8 0.0 1.5
assign (resid     6 and  name HA   )(resid    6 and  name HB#  ) 1.8 0.0 1.5
assign (resid     7 and  name HN   )(resid    7 and  name HB#  ) 1.8 0.0 0.9
assign (resid     7 and  name HN   )(resid    7 and  name HA   ) 1.8 0.0 0.9
assign (resid     7 and  name HA   )(resid    7 and  name HB#  ) 1.8 0.0 1.5
assign (resid     8 and  name HA   )(resid    8 and  name HB#  ) 1.8 0.0 1.5
assign (resid     8 and  name HG#  )(resid    8 and  name HD#  ) 1.8 0.0 1.5
assign (resid     8 and  name HB#  )(resid    8 and  name HD#  ) 1.8 0.0 3.2
assign (resid     8 and  name HA   )(resid    8 and  name HD#  ) 1.8 0.0 3.2
assign (resid     8 and  name HA   )(resid    8 and  name HG#  ) 1.8 0.0 3.2
assign (resid     9 and  name HN   )(resid    9 and  name HA   ) 1.8 0.0 1.5
assign (resid     9 and  name HN   )(resid    9 and  name HB#  ) 1.8 0.0 1.4
assign (resid     9 and  name HA   )(resid    9 and  name HB#  ) 1.8 0.0 1.4
assign (resid    10 and  name HN   )(resid   10 and  name HA#  ) 1.8 0.0 1.5
assign (resid    11 and  name HN   )(resid   11 and  name HA   ) 1.8 0.0 0.9
assign (resid    11 and  name HN   )(resid   11 and  name HB#  ) 1.8 0.0 0.9
assign (resid    11 and  name HA   )(resid   11 and  name HB#  ) 1.8 0.0 1.5
assign (resid    12 and  name HN   )(resid   12 and  name HA   ) 1.8 0.0 1.5
assign (resid    12 and  name HN   )(resid   12 and  name HB#  ) 1.8 0.0 0.9
assign (resid    12 and  name HN   )(resid   12 and  name HG#  ) 1.8 0.0 1.5
assign (resid    12 and  name HA   )(resid   12 and  name HB#  ) 1.8 0.0 0.9
assign (resid    12 and  name HA   )(resid   12 and  name HG#  ) 1.8 0.0 1.5
assign (resid    13 and  name HN   )(resid   13 and  name HA   ) 1.8 0.0 1.5
assign (resid    13 and  name HN   )(resid   13 and  name HB#  ) 1.8 0.0 0.9
assign (resid    13 and  name HN   )(resid   13 and  name HG#  ) 1.8 0.0 1.5
assign (resid    13 and  name HN   )(resid   13 and  name HE#  ) 1.8 0.0 3.2
assign (resid    13 and  name HN   )(resid   13 and  name HD#  ) 1.8 0.0 3.2
assign (resid    13 and  name HA   )(resid   13 and  name HG#  ) 1.8 0.0 1.5
assign (resid    13 and  name HA   )(resid   13 and  name HD#  ) 1.8 0.0 1.5
assign (resid    13 and  name HA   )(resid   13 and  name HB#  ) 1.8 0.0 0.9
assign (resid    14 and  name HN   )(resid   14 and  name HB#  ) 1.8 0.0 1.4
assign (resid    14 and  name HN   )(resid   14 and  name HA   ) 1.8 0.0 1.5
assign (resid    14 and  name HA   )(resid   14 and  name HB#  ) 1.8 0.0 1.5
assign (resid    15 and  name HN   )(resid   15 and  name HA   ) 1.8 0.0 0.9
assign (resid    15 and  name HN   )(resid   15 and  name HB#  ) 1.8 0.0 1.4
assign (resid    15 and  name HA   )(resid   15 and  name HB#  ) 1.8 0.0 1.4
assign (resid    16 and  name HN   )(resid   16 and  name HB#  ) 1.8 0.0 0.9
assign (resid    16 and  name HN   )(resid   16 and  name HA   ) 1.8 0.0 0.9
assign (resid    16 and  name HN   )(resid   16 and  name HD#  ) 1.8 0.0 3.2
assign (resid    16 and  name HN   )(resid   16 and  name HG#  ) 1.8 0.0 3.2
assign (resid    16 and  name HA   )(resid   16 and  name HB#  ) 1.8 0.0 0.9
assign (resid    16 and  name HA   )(resid   16 and  name HD#  ) 1.8 0.0 1.5
assign (resid    17 and  name HN   )(resid   17 and  name HA   ) 1.8 0.0 0.9
assign (resid    17 and  name HN   )(resid   17 and  name HB#  ) 1.8 0.0 1.5
assign (resid    17 and  name HA   )(resid   17 and  name HB#  ) 1.8 0.0 0.9
assign (resid    18 and  name HN   )(resid   18 and  name HB#  ) 1.8 0.0 1.4
assign (resid    18 and  name HN   )(resid   18 and  name HA   ) 1.8 0.0 1.5
assign (resid    18 and  name HB#  )(resid   18 and  name HA   ) 1.8 0.0 1.5
assign (resid    19 and  name HN   )(resid   19 and  name HA   ) 1.8 0.0 1.5
assign (resid    19 and  name HN   )(resid   19 and  name HB   ) 1.8 0.0 1.5
assign (resid    19 and  name HN   )(resid   19 and  name HG#  ) 1.8 0.0 1.4
assign (resid    19 and  name HA   )(resid   19 and  name HB   ) 1.8 0.0 0.9
assign (resid    19 and  name HB   )(resid   19 and  name HG#  ) 1.8 0.0 0.9
assign (resid    19 and  name HA   )(resid   19 and  name HG#  ) 1.8 0.0 2
assign (resid    20 and  name HN   )(resid   20 and  name HA   ) 1.8 0.0 0.9
assign (resid    20 and  name HN   )(resid   20 and  name HB#  ) 1.8 0.0 1.5
assign (resid    20 and  name HA   )(resid   20 and  name HB#  ) 1.8 0.0 1.5
assign (resid    21 and  name HN   )(resid   21 and  name HB#  ) 1.8 0.0 1.5
assign (resid    21 and  name HN   )(resid   21 and  name HA   ) 1.8 0.0 1.5
assign (resid    21 and  name HN   )(resid   21 and  name HG#  ) 1.8 0.0 1.5
assign (resid    21 and  name HN   )(resid   21 and  name HD#  ) 1.8 0.0 3.2
assign (resid    21 and  name HA   )(resid   21 and  name HB#  ) 1.8 0.0 0.9
assign (resid    21 and  name HA   )(resid   21 and  name HG#  ) 1.8 0.0 1.5
assign (resid    21 and  name HA   )(resid   21 and  name HD#  ) 1.8 0.0 1.5
assign (resid    22 and  name HN   )(resid   22 and  name HA#  ) 1.8 0.0 0.9
assign (resid    23 and  name HN   )(resid   23 and  name HB#  ) 1.8 0.0 0.9
assign (resid    23 and  name HN   )(resid   23 and  name HA   ) 1.8 0.0 1.5
assign (resid    23 and  name HN   )(resid   23 and  name HG#  ) 1.8 0.0 1.5
assign (resid    23 and  name HA   )(resid   23 and  name HB#  ) 1.8 0.0 0.9
assign (resid    23 and  name HA   )(resid   23 and  name HG#  ) 1.8 0.0 1.5
assign (resid    24 and  name HN   )(resid   24 and  name HA   ) 1.8 0.0 1.5
assign (resid    24 and  name HN   )(resid   24 and  name HB#  ) 1.8 0.0 0.9
assign (resid    24 and  name HN   )(resid   24 and  name HG#  ) 1.8 0.0 1.5
assign (resid    24 and  name HA   )(resid   24 and  name HB#  ) 1.8 0.0 0.9
assign (resid    24 and  name HA   )(resid   24 and  name HG#  ) 1.8 0.0 1.5
assign (resid    25 and  name HN   )(resid   25 and  name HA#  ) 1.8 0.0 1.5
assign (resid    26 and  name HN   )(resid   26 and  name HA   ) 1.8 0.0 0.9
assign (resid    26 and  name HN   )(resid   26 and  name HB#  ) 1.8 0.0 1.4
assign (resid    26 and  name HA   )(resid   26 and  name HB#  ) 1.8 0.0 1.4
assign (resid    27 and  name HN   )(resid   27 and  name HB#  ) 1.8 0.0 0.9
assign (resid    27 and  name HN   )(resid   27 and  name HG#  ) 1.8 0.0 1.5
assign (resid    27 and  name HN   )(resid   27 and  name HD#  ) 1.8 0.0 3.2
assign (resid    27 and  name HA   )(resid   27 and  name HB#  ) 1.8 0.0 0.9
assign (resid    27 and  name HA   )(resid   27 and  name HG#  ) 1.8 0.0 1.5
assign (resid    27 and  name HA   )(resid   27 and  name HD#  ) 1.8 0.0 1.5
assign (resid    28 and  name HN   )(resid   28 and  name HA   ) 1.8 0.0 1.5
assign (resid    28 and  name HN   )(resid   28 and  name HB#  ) 1.8 0.0 1.4
assign (resid    28 and  name HA   )(resid   28 and  name HB#  ) 1.8 0.0 1.4
assign (resid    29 and  name HN   )(resid   29 and  name HA   ) 1.8 0.0 1.5
assign (resid    29 and  name HN   )(resid   29 and  name HB#  ) 1.8 0.0 0.9
assign (resid    29 and  name HN   )(resid   29 and  name HG#  ) 1.8 0.0 0.9
assign (resid    29 and  name HA   )(resid   29 and  name HB#  ) 1.8 0.0 0.9
assign (resid    29 and  name HA   )(resid   29 and  name HG#  ) 1.8 0.0 1.5
assign (resid    30 and  name HN   )(resid   30 and  name HA   ) 1.8 0.0 0.9
assign (resid    30 and  name HN   )(resid   30 and  name HB#  ) 1.8 0.0 1.4
assign (resid    30 and  name HA   )(resid   30 and  name HB#  ) 1.8 0.0 1.4
assign (resid    31 and  name HN   )(resid   31 and  name HA   ) 1.8 0.0 1.5
assign (resid    31 and  name HN   )(resid   31 and  name HB#  ) 1.8 0.0 1.5
assign (resid    31 and  name HN   )(resid   31 and  name HG#  ) 1.8 0.0 1.5
assign (resid    31 and  name HA   )(resid   31 and  name HB#  ) 1.8 0.0 0.9
assign (resid    31 and  name HA   )(resid   31 and  name HG#  ) 1.8 0.0 1.5
assign (resid    32 and  name HN   )(resid   32 and  name HB#  ) 1.8 0.0 1.5
assign (resid    32 and  name HN   )(resid   32 and  name HA   ) 1.8 0.0 1.5
assign (resid    32 and  name HN   )(resid   32 and  name HG#  ) 1.8 0.0 0.9
assign (resid    32 and  name HN   )(resid   32 and  name HD#  ) 1.8 0.0 1.5
assign (resid    32 and  name HA   )(resid   32 and  name HB#  ) 1.8 0.0 1.5
assign (resid    32 and  name HA   )(resid   32 and  name HD#  ) 1.8 0.0 1.5
assign (resid    32 and  name HA   )(resid   32 and  name HG#  ) 1.8 0.0 1.5
assign (resid    33 and  name HN   )(resid   33 and  name HA   ) 1.8 0.0 1.5
assign (resid    33 and  name HN   )(resid   33 and  name HB#  ) 1.8 0.0 1.5
assign (resid    33 and  name HA   )(resid   33 and  name HB#  ) 1.8 0.0 1.5
assign (resid    34 and  name HN   )(resid   34 and  name HA   ) 1.8 0.0 1.5
assign (resid    34 and  name HN   )(resid   34 and  name HB#  ) 1.8 0.0 1.5
assign (resid    34 and  name HA   )(resid   34 and  name HB#  ) 1.8 0.0 0.9
assign (resid    35 and  name HN   )(resid   35 and  name HA   ) 1.8 0.0 1.5
assign (resid    35 and  name HN   )(resid   35 and  name HB#  ) 1.8 0.0 1.5
assign (resid    35 and  name HA   )(resid   35 and  name HB#  ) 1.8 0.0 0.9
assign (resid    36 and  name HN   )(resid   36 and  name HA   ) 1.8 0.0 1.5
assign (resid    36 and  name HN   )(resid   36 and  name HB#  ) 1.8 0.0 0.9
assign (resid    36 and  name HA   )(resid   36 and  name HB#  ) 1.8 0.0 1.5
assign (resid    37 and  name HN   )(resid   37 and  name HA   ) 1.8 0.0 0.9
assign (resid    37 and  name HN   )(resid   37 and  name HB#  ) 1.8 0.0 1.4
assign (resid    37 and  name HN   )(resid   37 and  name HG#  ) 1.8 0.0 1.5
assign (resid    37 and  name HE2# )(resid   37 and  name HG#  ) 1.8 0.0 3.2
assign (resid    37 and  name HE2# )(resid   37 and  name HA   ) 1.8 0.0 3.2
assign (resid    37 and  name HA   )(resid   37 and  name HB#  ) 1.8 0.0 0.9
assign (resid    37 and  name HA   )(resid   37 and  name HG#  ) 1.8 0.0 1.5
! sidechain(i)-sidechain(j)
assign (resid     1 and  name HA   )(resid    9 and  name HB#  ) 1.8 0.0 3.7
assign (resid     2 and  name HA   )(resid    9 and  name HA   ) 1.8 0.0 1.5
assign (resid     2 and  name HB#  )(resid    9 and  name HA   ) 1.8 0.0 3.2
assign (resid     2 and  name HB#  )(resid    9 and  name HB#  ) 1.8 0.0 3.7
assign (resid     2 and  name HA   )(resid    9 and  name HB#  ) 1.8 0.0 3.7
assign (resid     4 and  name HB#  )(resid   28 and  name HB#  ) 1.8 0.0 3.7
assign (resid     6 and  name HA   )(resid   30 and  name HB#  ) 1.8 0.0 3.7
assign (resid     6 and  name HB#  )(resid   30 and  name HB#  ) 1.8 0.0 3.7
assign (resid     6 and  name HB#  )(resid   31 and  name HA   ) 1.8 0.0 3.2
assign (resid     6 and  name HA   )(resid   31 and  name HA   ) 1.8 0.0 3.2
assign (resid     6 and  name HB#  )(resid   31 and  name HA   ) 1.8 0.0 3.7
assign (resid     6 and  name HA   )(resid   32 and  name HA   ) 1.8 0.0 1.5
assign (resid     6 and  name HB#  )(resid   32 and  name HA   ) 1.8 0.0 2
assign (resid     6 and  name HB#  )(resid   33 and  name HA   ) 1.8 0.0 3.2
assign (resid     6 and  name HB#  )(resid   33 and  name HB#  ) 1.8 0.0 2
assign (resid     7 and  name HB#  )(resid    8 and  name HD#  ) 1.8 0.0 1.5
assign (resid     7 and  name HA   )(resid    8 and  name HD#  ) 1.8 0.0 0.9
assign (resid     7 and  name HA   )(resid    8 and  name HG#  ) 1.8 0.0 3.2
assign (resid     7 and  name HA   )(resid   11 and  name HB#  ) 1.8 0.0 3.2
assign (resid     8 and  name HD#  )(resid   11 and  name HB#  ) 1.8 0.0 1.5
assign (resid     8 and  name HG#  )(resid   11 and  name HB#  ) 1.8 0.0 3.2
assign (resid    11 and  name HB#  )(resid   14 and  name HB#  ) 1.8 0.0 1.5
assign (resid    12 and  name HA   )(resid   14 and  name HB#  ) 1.8 0.0 3.2
assign (resid    13 and  name HB#  )(resid   36 and  name HA   ) 1.8 0.0 3.2
assign (resid    13 and  name HD#  )(resid   36 and  name HA   ) 1.8 0.0 1.5
assign (resid    13 and  name HG#  )(resid   36 and  name HA   ) 1.8 0.0 3.2
assign (resid    13 and  name HB#  )(resid   36 and  name HB#  ) 1.8 0.0 3.2
assign (resid    13 and  name HD#  )(resid   36 and  name HB#  ) 1.8 0.0 3.7
assign (resid    13 and  name HG#  )(resid   36 and  name HB#  ) 1.8 0.0 3.7
assign (resid    13 and  name HA   )(resid   19 and  name HG#  ) 1.8 0.0 3.7
assign (resid    13 and  name HB#  )(resid   19 and  name HG#  ) 1.8 0.0 2
assign (resid    13 and  name HD#  )(resid   19 and  name HG#  ) 1.8 0.0 3.7
assign (resid    13 and  name HG#  )(resid   19 and  name HG#  ) 1.8 0.0 3.7
assign (resid    13 and  name HE#  )(resid   19 and  name HG#  ) 1.8 0.0 3.7
assign (resid    14 and  name HA   )(resid   15 and  name HA   ) 1.8 0.0 3.2
assign (resid    14 and  name HA   )(resid   15 and  name HB#  ) 1.8 0.0 3.7
assign (resid    14 and  name HB#  )(resid   18 and  name HA   ) 1.8 0.0 3.2
assign (resid    14 and  name HA   )(resid   19 and  name HB#  ) 1.8 0.0 3.2
assign (resid    14 and  name HA   )(resid   19 and  name HG#  ) 1.8 0.0 2
assign (resid    17 and  name HA   )(resid   18 and  name HB#  ) 1.8 0.0 3.2
assign (resid    18 and  name HA   )(resid   19 and  name HG#  ) 1.8 0.0 3.7
assign (resid    19 and  name HG#  )(resid   35 and  name HB#  ) 1.8 0.0 3.7
assign (resid    21 and  name HA   )(resid   22 and  name HA#  ) 1.8 0.0 3.2
assign (resid    21 and  name HB#  )(resid   22 and  name HA#  ) 1.8 0.0 3.2
assign (resid    22 and  name HA#  )(resid   26 and  name HB#  ) 1.8 0.0 3.7
assign (resid    24 and  name HA   )(resid   25 and  name HA#  ) 1.8 0.0 3.2
assign (resid    25 and  name HA#  )(resid   26 and  name HB#  ) 1.8 0.0 3.7
assign (resid    31 and  name HA   )(resid   32 and  name HG#  ) 1.8 0.0 3.2
assign (resid    31 and  name HA   )(resid   32 and  name HA   ) 1.8 0.0 3.2
assign (resid    32 and  name HG#  )(resid   37 and  name HE2# ) 1.8 0.0 3.2
assign (resid    33 and  name HA   )(resid   34 and  name HB#  ) 1.8 0.0 3.2
assign (resid    33 and  name HB#  )(resid   34 and  name HB#  ) 1.8 0.0 3.2
assign (resid    34 and  name HA   )(resid   37 and  name HG#  ) 1.8 0.0 1.5
assign (resid    36 and  name HA   )(resid   37 and  name HA   ) 1.8 0.0 3.2
assign (resid    37 and  name HE2# )(resid   34 and  name HA   ) 1.8 0.0 3.2
assign (resid    37 and  name HE2# )(resid   32 and  name HA   ) 1.8 0.0 3.7
assign (resid    37 and  name HE2# )(resid   32 and  name HB#  ) 1.8 0.0 3.2
assign (resid    37 and  name HE2# )(resid   32 and  name HD#  ) 1.8 0.0 3.2
assign (resid    37 and  name HE2# )(resid   32 and  name HG#  ) 1.8 0.0 3.2


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