NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord stage position program type subtype subsubtype
5844 1i25 4988 cing recoord 1-original 1 XPLOR/CNS distance NOE simple


!intra-residue
assign (resid    1 and  name HA   )(resid    1 and  name HB#  ) 2.7 0.9 1.0
assign (resid    1 and  name HA   )(resid    1 and  name HG   ) 2.7 0.9 0.0
assign (resid    1 and  name HA   )(resid    1 and  name HD#  ) 3.5 1.7 2.4

assign (resid    2 and  name HN   )(resid    2 and  name HB#  ) 3.5 1.7 1.0
assign (resid    2 and  name HN   )(resid    2 and  name HD#  ) 5.0 3.2 2.4
assign (resid    2 and  name HD#  )(resid    2 and  name HA   ) 3.5 1.7 2.4
assign (resid    2 and  name HD#  )(resid    2 and  name HB#  ) 3.5 1.7 3.4
assign (resid    2 and  name HE#  )(resid    2 and  name HA   ) 6.0 4.2 2.4
assign (resid    2 and  name HE#  )(resid    2 and  name HB#  ) 6.0 4.2 3.4

assign (resid    3 and  name HN   )(resid    3 and  name HA   ) 5.0 3.2 0.0
assign (resid    3 and  name HN   )(resid    3 and  name HB#  ) 2.7 0.9 1.0
assign (resid    3 and  name HN   )(resid    3 and  name HG#  ) 3.5 1.7 1.0
assign (resid    3 and  name HA   )(resid    3 and  name HB#  ) 2.7 0.9 1.0
assign (resid    3 and  name HA   )(resid    3 and  name HG#  ) 2.7 0.9 1.0

assign (resid    4 and  name HN   )(resid    4 and  name HA   ) 3.5 1.7 0.0
assign (resid    4 and  name HN   )(resid    4 and  name HB#  ) 2.7 0.9 1.0
assign (resid    4 and  name HA   )(resid    4 and  name HB#  ) 2.7 0.9 1.0

assign (resid    5 and  name HN   )(resid    5 and  name HA   ) 3.5 1.7 0.0
assign (resid    5 and  name HN   )(resid    5 and  name HB#  ) 2.7 0.9 1.0
assign (resid    5 and  name HA   )(resid    5 and  name HB#  ) 2.7 0.9 1.0

assign (resid    6 and  name HN   )(resid    6 and  name HB#  ) 2.7 0.9 1.0
assign (resid    6 and  name HN   )(resid    6 and  name HD#  ) 3.5 1.7 2.4
assign (resid    6 and  name HN   )(resid    6 and  name HE#  ) 5.0 1.5 2.4
assign (resid    6 and  name HA   )(resid    6 and  name HB#  ) 2.7 0.9 1.0
assign (resid    6 and  name HA   )(resid    6 and  name HD#  ) 2.7 0.9 2.4
assign (resid    6 and  name HA   )(resid    6 and  name HE#  ) 5.0 3.2 2.4
assign (resid    6 and  name HD#  )(resid    6 and  name HB#  ) 2.7 0.9 3.4
assign (resid    6 and  name HE#  )(resid    6 and  name HB#  ) 5.0 3.2 3.4

assign (resid    7 and  name HN   )(resid    7 and  name HA   ) 3.5 1.7 0.0
assign (resid    7 and  name HN   )(resid    7 and  name HB#  ) 2.7 0.9 1.0
assign (resid    7 and  name HA   )(resid    7 and  name HB#  ) 2.7 0.9 1.0 

assign (resid    8 and  name HN   )(resid    8 and  name HA   ) 5.0 3.2 0.0
assign (resid    8 and  name HN   )(resid    8 and  name HB#  ) 3.5 1.7 1.0
assign (resid    8 and  name HA   )(resid    8 and  name HB#  ) 2.7 0.9 1.0

assign (resid    9 and  name HN   )(resid    9 and  name HB#  ) 2.7 0.9 1.0
assign (resid    9 and  name HN   )(resid    9 and  name HG#  ) 3.5 1.7 1.0
assign (resid    9 and  name HB#  )(resid    9 and  name HA   ) 2.7 0.9 1.0
assign (resid    9 and  name HB#  )(resid    9 and  name HG#  ) 2.7 0.9 2.0

assign (resid   10 and  name HN   )(resid   10 and  name HA   ) 3.5 1.7 0.0
assign (resid   10 and  name HN   )(resid   10 and  name HB   ) 2.7 0.9 0.0
assign (resid   10 and  name HN   )(resid   10 and  name HG1# ) 2.7 0.9 1.0
assign (resid   10 and  name HN   )(resid   10 and  name HG2# ) 3.5 1.7 1.0
assign (resid   10 and  name HN   )(resid   10 and  name HD1# ) 3.5 1.7 1.0
assign (resid   10 and  name HA   )(resid   10 and  name HB   ) 3.5 1.7 0.0
assign (resid   10 and  name HA   )(resid   10 and  name HG1# ) 2.7 0.9 1.0
assign (resid   10 and  name HA   )(resid   10 and  name HG2# ) 3.5 1.7 1.0
assign (resid   10 and  name HA   )(resid   10 and  name HD1# ) 5.0 3.2 1.0

assign (resid   11 and  name HN   )(resid   11 and  name HA   ) 5.0 3.2 0.0
assign (resid   11 and  name HN   )(resid   11 and  name HB#  ) 2.7 0.9 1.0
assign (resid   11 and  name HN   )(resid   11 and  name HG#  ) 3.5 1.7 1.0
assign (resid   11 and  name HB#  )(resid   11 and  name HG#  ) 2.7 0.9 2.0

assign (resid   12 and  name HN   )(resid   12 and  name HB#  ) 2.7 0.9 1.0
assign (resid   12 and  name HN   )(resid   12 and  name HG#  ) 5.0 3.2 1.0
assign (resid   12 and  name HN   )(resid   12 and  name HD#  ) 5.0 3.2 1.0
assign (resid   12 and  name HA   )(resid   12 and  name HB#  ) 2.7 0.9 1.0
assign (resid   12 and  name HA   )(resid   12 and  name HG#  ) 2.7 0.9 1.0
assign (resid   12 and  name HA   )(resid   12 and  name HD#  ) 3.5 1.7 1.0

assign (resid   13 and  name HN   )(resid   13 and  name HA   ) 5.0 3.2 0.0
assign (resid   13 and  name HN   )(resid   13 and  name HB#  ) 2.7 0.9 1.0
assign (resid   13 and  name HN   )(resid   13 and  name HG#  ) 3.5 1.7 1.0

assign (resid   14 and  name HN   )(resid   14 and  name HA#  ) 2.7 0.9 1.0

assign (resid   15 and  name HN   )(resid   15 and  name HA   ) 3.5 1.7 0.0
assign (resid   15 and  name HN   )(resid   15 and  name HB#  ) 2.7 0.9 1.0

assign (resid   16 and  name HN   )(resid   16 and  name HB#  ) 2.7 0.9 1.0
assign (resid   16 and  name HN   )(resid   16 and  name HG#  ) 5.0 3.2 1.0
assign (resid   16 and  name HN   )(resid   16 and  name HD#  ) 5.0 3.2 1.0
assign (resid   16 and  name HA   )(resid   16 and  name HB#  ) 2.7 0.9 1.0
assign (resid   16 and  name HA   )(resid   16 and  name HG#  ) 2.7 0.9 1.0
assign (resid   16 and  name HA   )(resid   16 and  name HD#  ) 5.0 3.2 1.0

assign (resid   17 and  name HA   )(resid   17 and  name HB#  ) 2.7 0.9 1.0
assign (resid   17 and  name HA   )(resid   17 and  name HG#  ) 3.5 1.7 1.0
assign (resid   17 and  name HA   )(resid   17 and  name HD#  ) 3.5 1.7 1.0
assign (resid   17 and  name HB#  )(resid   17 and  name HG#  ) 2.7 0.9 2.0
assign (resid   17 and  name HB#  )(resid   17 and  name HD#  ) 5.0 3.2 2.0
assign (resid   17 and  name HG#  )(resid   17 and  name HD#  ) 2.7 0.9 2.0

assign (resid   18 and  name HN   )(resid   18 and  name HA   ) 5.0 3.2 0.0
assign (resid   18 and  name HN   )(resid   18 and  name HB#  ) 5.0 3.2 1.0
assign (resid   18 and  name HA   )(resid   18 and  name HB#  ) 2.7 0.9 1.0

assign (resid   19 and  name HN   )(resid   19 and  name HA   ) 3.5 1.7 0.0
assign (resid   19 and  name HN   )(resid   19 and  name HB#  ) 2.7 0.9 1.0
assign (resid   19 and  name HN   )(resid   19 and  name HG#  ) 5.0 3.2 1.0
assign (resid   19 and  name HN   )(resid   19 and  name HD#  ) 5.0 3.2 1.0
assign (resid   19 and  name HA   )(resid   19 and  name HB#  ) 2.7 0.9 1.0 
assign (resid   19 and  name HA   )(resid   19 and  name HG#  ) 2.7 0.9 1.0 
assign (resid   19 and  name HA   )(resid   19 and  name HD#  ) 3.5 1.7 1.0 

assign (resid   20 and  name HN   )(resid   20 and  name HA   ) 3.5 1.7 0.0
assign (resid   20 and  name HN   )(resid   20 and  name HB#  ) 2.7 0.9 1.0
assign (resid   20 and  name HN   )(resid   20 and  name HG#  ) 3.5 1.7 1.0
assign (resid   20 and  name HN   )(resid   20 and  name HD#  ) 5.0 3.2 1.0
assign (resid   20 and  name HN   )(resid   20 and  name HE#  ) 5.0 3.2 1.0
assign (resid   20 and  name HA   )(resid   20 and  name HB#  ) 2.7 0.9 1.0
assign (resid   20 and  name HA   )(resid   20 and  name HG#  ) 3.5 1.7 1.0
assign (resid   20 and  name HA   )(resid   20 and  name HD#  ) 5.0 3.2 1.0
assign (resid   20 and  name HA   )(resid   20 and  name HE#  ) 6.0 4.2 1.0
assign (resid   20 and  name HB#  )(resid   20 and  name HE#  ) 3.5 1.7 2.0
assign (resid   20 and  name HG#  )(resid   20 and  name HE#  ) 2.7 0.9 2.0

assign (resid   21 and  name HN   )(resid   21 and  name HA   ) 3.5 1.7 0.0
assign (resid   21 and  name HN   )(resid   21 and  name HB#  ) 2.7 0.9 1.0
assign (resid   21 and  name HN   )(resid   21 and  name HG#  ) 3.5 1.7 1.0
assign (resid   21 and  name HN   )(resid   21 and  name HD#  ) 5.0 3.2 1.0
assign (resid   21 and  name HA   )(resid   21 and  name HB#  ) 2.7 0.9 1.0
assign (resid   21 and  name HA   )(resid   21 and  name HG#  ) 3.5 1.7 1.0
assign (resid   21 and  name HA   )(resid   21 and  name HD#  ) 5.0 3.2 1.0
assign (resid   21 and  name HA   )(resid   21 and  name HE#  ) 5.0 3.2 1.0

assign (resid   22 and  name HN   )(resid   22 and  name HA   ) 3.5 1.7 0.0
assign (resid   22 and  name HN   )(resid   22 and  name HB#  ) 2.7 0.9 1.0
assign (resid   22 and  name HN   )(resid   22 and  name HG#  ) 3.5 1.7 1.0
assign (resid   22 and  name HN   )(resid   22 and  name HD#  ) 5.0 3.2 1.0

assign (resid   23 and  name HN   )(resid   23 and  name HB#  ) 2.7 0.9 1.0
assign (resid   23 and  name HA   )(resid   23 and  name HB#  ) 2.7 0.9 1.0

assign (resid   24 and  name HN   )(resid   24 and  name HA   ) 3.5 1.7 0.0
assign (resid   24 and  name HN   )(resid   24 and  name HB#  ) 2.7 0.9 1.0
assign (resid   24 and  name HN   )(resid   24 and  name HG#  ) 3.5 1.7 1.0
assign (resid   24 and  name HN   )(resid   24 and  name HD#  ) 5.0 3.2 1.0
assign (resid   24 and  name HN   )(resid   24 and  name HE#  ) 5.0 3.2 1.0
assign (resid   24 and  name HA   )(resid   24 and  name HB#  ) 2.7 0.9 1.0
assign (resid   24 and  name HA   )(resid   24 and  name HG#  ) 3.5 1.7 1.0
assign (resid   24 and  name HA   )(resid   24 and  name HD#  ) 3.5 1.7 1.0

assign (resid   25 and  name HN   )(resid   25 and  name HA#  ) 2.7 0.9 1.0

assign (resid   26 and  name HN   )(resid   26 and  name HA#  ) 2.7 0.9 1.0

assign (resid   27 and  name HN   )(resid   27 and  name HA   ) 3.5 1.7 0.0
assign (resid   27 and  name HN   )(resid   27 and  name HB#  ) 2.7 0.9 1.0
assign (resid   27 and  name HA   )(resid   27 and  name HB#  ) 2.7 0.9 1.0
assign (resid   27 and  name HE1  )(resid   27 and  name HD1  ) 2.7 0.9 0.0
assign (resid   27 and  name HD1  )(resid   27 and  name HB# ) 2.7 0.9 1.0
assign (resid   27 and  name HD1  )(resid   27 and  name HA  ) 5.0 3.2 0.0
assign (resid   27 and  name HD1  )(resid   27 and  name HN  ) 5.0 3.2 0.0
assign (resid   27 and  name HE3  )(resid   27 and  name HB#  ) 3.5 1.7 1.0

assign (resid   28 and  name HN   )(resid   28 and  name HB#  ) 2.7 0.9 1.0
assign (resid   28 and  name HN   )(resid   28 and  name HG#  ) 5.0 3.2 1.0
assign (resid   28 and  name HN   )(resid   28 and  name HD#  ) 5.0 3.2 1.0
assign (resid   28 and  name HA   )(resid   28 and  name HB#  ) 2.7 0.9 1.0
assign (resid   28 and  name HA   )(resid   28 and  name HG#  ) 2.7 0.9 1.0
assign (resid   28 and  name HA   )(resid   28 and  name HD#  ) 3.5 1.7 1.0
assign (resid   28 and  name HA   )(resid   28 and  name HE#  ) 5.0 3.2 1.0

assign (resid   29 and  name HN   )(resid   29 and  name HA   ) 5.0 3.2 0.0
assign (resid   29 and  name HN   )(resid   29 and  name HB#  ) 2.7 0.9 1.0
assign (resid   29 and  name HA   )(resid   29 and  name HB#  ) 2.7 0.9 1.0

assign (resid   30 and  name HN   )(resid   30 and  name HA   ) 3.5 1.7 0.0
assign (resid   30 and  name HN   )(resid   30 and  name HB#  ) 2.7 0.9 1.0
assign (resid   30 and  name HN   )(resid   30 and  name HG#  ) 3.5 1.7 1.0
assign (resid   30 and  name HN   )(resid   30 and  name HD#  ) 5.0 3.2 1.0

assign (resid   31 and  name HN   )(resid   31 and  name HA   ) 3.5 1.7 0.0
assign (resid   31 and  name HN   )(resid   31 and  name HB#  ) 3.5 1.7 1.0
assign (resid   31 and  name HN   )(resid   31 and  name HD#  ) 5.0 3.2 2.4
assign (resid   31 and  name HN   )(resid   31 and  name HE#  ) 5.0 3.2 2.4
assign (resid   31 and  name HD#  )(resid   31 and  name HA   ) 2.7 0.9 2.4
assign (resid   31 and  name HD#  )(resid   31 and  name HB#  ) 2.7 0.9 3.4
assign (resid   31 and  name HE#  )(resid   31 and  name HA   ) 5.0 3.2 2.4
assign (resid   31 and  name HE#  )(resid   31 and  name HB#  ) 5.0 3.2 3.4

assign (resid   32 and  name HN   )(resid   32 and  name HA   ) 3.5 1.7 0.0
assign (resid   32 and  name HN   )(resid   32 and  name HB#  ) 2.7 0.9 1.0
assign (resid   32 and  name HA   )(resid   32 and  name HB#  ) 2.7 0.9 1.0
assign (resid   32 and  name HD2# )(resid   32 and  name HB#  ) 3.5 1.7 2.0
assign (resid   32 and  name HD2# )(resid   32 and  name HA   ) 5.0 3.2 1.0

assign (resid   33 and  name HN   )(resid   33 and  name HA   ) 3.5 1.7 0.0
assign (resid   33 and  name HN   )(resid   33 and  name HB#  ) 2.7 0.9 1.0
assign (resid   33 and  name HN   )(resid   33 and  name HG#  ) 5.0 3.2 1.0
assign (resid   33 and  name HA   )(resid   33 and  name HB#  ) 2.7 0.9 1.0
assign (resid   33 and  name HA   )(resid   33 and  name HG#  ) 2.7 0.9 1.0
assign (resid   33 and  name HA   )(resid   33 and  name HE#  ) 5.0 3.2 2.4

assign (resid   34 and  name HN   )(resid   34 and  name HA   ) 3.5 1.7 0.0
assign (resid   34 and  name HN   )(resid   34 and  name HB#  ) 2.7 0.9 1.0
assign (resid   34 and  name HA   )(resid   34 and  name HB#  ) 2.7 0.9 1.0

assign (resid   35 and  name HN   )(resid   35 and  name HB   ) 3.5 1.7 0.0
assign (resid   35 and  name HN   )(resid   35 and  name HG#  ) 2.7 0.9 2.4

assign (resid   36 and  name HN   )(resid   36 and  name HA   ) 3.5 1.7 0.0
assign (resid   36 and  name HN   )(resid   36 and  name HB#  ) 2.7 0.9 1.0
assign (resid   36 and  name HN   )(resid   36 and  name HG#  ) 3.5 1.7 1.0
assign (resid   36 and  name HN   )(resid   36 and  name HD#  ) 5.0 3.2 1.0
assign (resid   36 and  name HN   )(resid   36 and  name HE#  ) 6.0 4.2 1.0
assign (resid   36 and  name HA   )(resid   36 and  name HB#  ) 2.7 0.9 1.0
assign (resid   36 and  name HA   )(resid   36 and  name HG#  ) 2.7 0.9 1.0
assign (resid   36 and  name HA   )(resid   36 and  name HD#  ) 3.5 1.7 1.0

assign (resid   37 and  name HN   )(resid   37 and  name HA   ) 3.5 1.7 0.0
assign (resid   37 and  name HN   )(resid   37 and  name HB   ) 2.7 0.9 0.0
assign (resid   37 and  name HN   )(resid   37 and  name HG#  ) 3.5 1.7 2.4 
assign (resid   37 and  name HA   )(resid   37 and  name HB   ) 2.7 0.9 0.0
assign (resid   37 and  name HA   )(resid   37 and  name HG#  ) 3.5 1.7 2.4 

!sequential
assign (resid    2 and  name HN   )(resid    1 and  name HA   ) 2.7 0.9 0.0
assign (resid    2 and  name HN   )(resid    1 and  name HB#  ) 5.0 3.2 1.0
assign (resid    2 and  name HN   )(resid    1 and  name HG   ) 5.0 3.2 0.0
assign (resid    2 and  name HN   )(resid    1 and  name HD#  ) 5.0 3.2 2.4
assign (resid    2 and  name HD#  )(resid    1 and  name HA   ) 5.0 3.2 2.4
assign (resid    2 and  name HD#  )(resid    1 and  name HD#  ) 5.0 3.2 4.8
assign (resid    2 and  name HD#  )(resid    3 and  name HB#  ) 5.0 3.2 3.4
assign (resid    2 and  name HD#  )(resid    3 and  name HA   ) 5.0 3.2 2.4
assign (resid    2 and  name HE#  )(resid    3 and  name HB#  ) 6.0 4.2 3.4

assign (resid    3 and  name HN   )(resid    2 and  name HB#  ) 3.5 1.7 1.0
assign (resid    3 and  name HN   )(resid    2 and  name HD#  ) 5.0 3.2 2.4
assign (resid    3 and  name HN   )(resid    4 and  name HN   ) 5.0 3.2 0.0

assign (resid    4 and  name HN   )(resid    3 and  name HA   ) 3.5 1.7 0.0
assign (resid    4 and  name HN   )(resid    3 and  name HB#  ) 3.5 1.7 1.0
assign (resid    4 and  name HN   )(resid    3 and  name HG#  ) 3.5 1.7 1.0
assign (resid    4 and  name HN   )(resid    5 and  name HN   ) 5.0 3.2 0.0
assign (resid    4 and  name HA   )(resid    5 and  name HA   ) 5.0 3.2 0.0

assign (resid    5 and  name HN   )(resid    4 and  name HA   ) 2.7 0.9 0.0
assign (resid    5 and  name HN   )(resid    4 and  name HB#  ) 3.5 1.7 1.0
assign (resid    5 and  name HN   )(resid    6 and  name HN   ) 2.7 0.9 0.0
assign (resid    5 and  name HN   )(resid    6 and  name HD#  ) 5.0 3.2 2.4
assign (resid    5 and  name HA   )(resid    6 and  name HA   ) 5.0 3.2 0.0

assign (resid    6 and  name HN   )(resid    5 and  name HA   ) 5.0 3.2 0.0
assign (resid    6 and  name HN   )(resid    5 and  name HB#  ) 3.5 1.7 1.0
assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 2.7 0.9 0.0
assign (resid    6 and  name HN   )(resid    7 and  name HB#  ) 6.0 4.2 1.0
assign (resid    6 and  name HA   )(resid    5 and  name HB#  ) 5.0 3.2 1.0
assign (resid    6 and  name HD#  )(resid    5 and  name HB#  ) 5.0 3.2 3.4
assign (resid    6 and  name HD#  )(resid    7 and  name HB#  ) 5.0 3.2 3.4
assign (resid    6 and  name HE#  )(resid    5 and  name HB#  ) 6.0 4.2 3.4

assign (resid    7 and  name HN   )(resid    6 and  name HB#  ) 3.5 1.7 1.0
assign (resid    7 and  name HN   )(resid    6 and  name HD#  ) 3.5 1.7 2.4
assign (resid    7 and  name HN   )(resid    6 and  name HE#  ) 5.0 3.2 2.4
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 5.0 3.2 0.0
assign (resid    7 and  name HA   )(resid    6 and  name HD#  ) 6.0 4.2 2.4
assign (resid    7 and  name HA   )(resid    8 and  name HA   ) 5.0 3.2 0.0

assign (resid    8 and  name HN   )(resid    7 and  name HA   ) 5.0 3.2 0.0
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 2.7 0.9 0.0
assign (resid    8 and  name HN   )(resid    9 and  name HB#  ) 5.0 3.2 1.0
assign (resid    8 and  name HA   )(resid    9 and  name HA   ) 5.0 3.2 0.0

assign (resid    9 and  name HN   )(resid    8 and  name HA   ) 5.0 3.2 0.0
assign (resid    9 and  name HN   )(resid    8 and  name HB#  ) 5.0 3.2 1.0
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 2.7 0.9 0.0
assign (resid    9 and  name HN   )(resid   10 and  name HB   ) 5.0 3.2 0.0
assign (resid    9 and  name HN   )(resid   10 and  name HG1# ) 5.0 3.2 1.0
assign (resid    9 and  name HN   )(resid   10 and  name HD1# ) 6.0 4.2 1.0
assign (resid    9 and  name HB#  )(resid   10 and  name HB   ) 5.0 3.2 1.0
assign (resid    9 and  name HB#  )(resid   10 and  name HG1# ) 5.0 3.2 2.0
assign (resid    9 and  name HB#  )(resid   10 and  name HG2# ) 6.0 4.2 2.0
assign (resid    9 and  name HB#  )(resid   10 and  name HD1# ) 6.0 4.2 2.0
assign (resid    9 and  name HG#  )(resid   10 and  name HB   ) 6.0 4.2 1.0
assign (resid    9 and  name HG#  )(resid   10 and  name HG1# ) 5.0 3.2 2.0
assign (resid    9 and  name HG#  )(resid   10 and  name HG2# ) 6.0 4.2 2.0
assign (resid    9 and  name HG#  )(resid   10 and  name HD1# ) 6.0 4.2 2.0

assign (resid   10 and  name HN   )(resid    9 and  name HB#  ) 2.7 0.9 1.0
assign (resid   10 and  name HN   )(resid    9 and  name HG#  ) 5.0 3.2 1.0
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 5.0 3.2 0.0
assign (resid   10 and  name HA   )(resid    9 and  name HA   ) 5.0 3.2 0.0
assign (resid   10 and  name HA   )(resid    9 and  name HB#  ) 5.0 3.2 1.0
assign (resid   10 and  name HA   )(resid    9 and  name HG#  ) 5.0 3.2 1.0
assign (resid   10 and  name HA   )(resid   11 and  name HA   ) 5.0 3.2 0.0
assign (resid   10 and  name HA   )(resid   11 and  name HB#  ) 5.0 3.2 1.0
assign (resid   10 and  name HA   )(resid   11 and  name HG#  ) 5.0 3.2 1.0

assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 5.0 3.2 0.0
assign (resid   11 and  name HN   )(resid   10 and  name HB   ) 5.0 3.2 0.0
assign (resid   11 and  name HN   )(resid   10 and  name HG1# ) 5.0 3.2 1.0
assign (resid   11 and  name HN   )(resid   10 and  name HG2# ) 3.5 1.7 1.0
assign (resid   11 and  name HN   )(resid   10 and  name HD1# ) 6.0 4.2 1.0
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 3.5 1.7 0.0
assign (resid   11 and  name HB#  )(resid   12 and  name HA   ) 5.0 3.2 1.0

assign (resid   12 and  name HN   )(resid   11 and  name HA   ) 5.0 3.2 0.0
assign (resid   12 and  name HN   )(resid   11 and  name HB#  ) 5.0 3.2 1.0
assign (resid   12 and  name HN   )(resid   11 and  name HG#  ) 5.0 3.2 1.0
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 5.0 3.2 0.0
assign (resid   12 and  name HA   )(resid   13 and  name HA   ) 5.0 3.2 0.0

assign (resid   13 and  name HN   )(resid   12 and  name HB#  ) 3.5 1.7 1.0
assign (resid   13 and  name HN   )(resid   12 and  name HG#  ) 5.0 3.2 1.0
assign (resid   13 and  name HN   )(resid   12 and  name HD#  ) 5.0 3.2 1.0
assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 5.0 3.2 0.0

assign (resid   14 and  name HN   )(resid   13 and  name HA   ) 5.0 3.2 0.0
assign (resid   14 and  name HN   )(resid   13 and  name HB#  ) 3.5 1.7 1.0
assign (resid   14 and  name HN   )(resid   13 and  name HG#  ) 5.0 3.2 1.0
assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 5.0 3.2 0.0
assign (resid   14 and  name HA#  )(resid   15 and  name HA   ) 5.0 3.2 1.0

assign (resid   15 and  name HN   )(resid   14 and  name HA#  ) 2.7 0.9 1.0
assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 2.7 0.9 0.0
assign (resid   15 and  name HN   )(resid   16 and  name HB#  ) 5.0 3.2 1.0
assign (resid   15 and  name HN   )(resid   16 and  name HG#  ) 6.0 4.2 1.0

assign (resid   16 and  name HN   )(resid   15 and  name HA   ) 5.0 3.2 0.0
assign (resid   16 and  name HN   )(resid   15 and  name HB#  ) 3.5 1.7 1.0
assign (resid   16 and  name HN   )(resid   17 and  name HG#  ) 6.0 4.2 1.0
assign (resid   16 and  name HN   )(resid   17 and  name HD#  ) 6.0 4.2 1.0
assign (resid   16 and  name HA   )(resid   15 and  name HA   ) 5.0 3.2 0.0
assign (resid   16 and  name HA   )(resid   15 and  name HB#  ) 5.0 3.2 1.0
assign (resid   16 and  name HA   )(resid   17 and  name HG#  ) 3.5 1.7 1.0
assign (resid   16 and  name HA   )(resid   17 and  name HD#  ) 2.7 0.9 1.0

assign (resid   17 and  name HA   )(resid   18 and  name HA   ) 5.0 3.2 0.0
assign (resid   17 and  name HA   )(resid   18 and  name HB#  ) 5.0 3.2 1.0
assign (resid   17 and  name HD#  )(resid   16 and  name HG#  ) 5.0 3.2 2.0
assign (resid   17 and  name HD#  )(resid   16 and  name HD#  ) 5.0 3.2 2.0

assign (resid   18 and  name HN   )(resid   17 and  name HB#  ) 5.0 3.2 1.0
assign (resid   18 and  name HN   )(resid   17 and  name HG#  ) 5.0 3.2 1.0
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 5.0 3.2 0.0
assign (resid   18 and  name HA   )(resid   17 and  name HB#  ) 5.0 3.2 1.0
assign (resid   18 and  name HA   )(resid   17 and  name HG#  ) 6.0 4.2 1.0
assign (resid   18 and  name HA   )(resid   19 and  name HA   ) 5.0 3.2 0.0
assign (resid   18 and  name HA   )(resid   19 and  name HB#  ) 5.0 3.2 1.0

assign (resid   19 and  name HN   )(resid   18 and  name HA   ) 2.7 0.9 0.0
assign (resid   19 and  name HN   )(resid   18 and  name HB#  ) 2.7 0.9 1.0
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 5.0 3.2 0.0
assign (resid   19 and  name HA   )(resid   18 and  name HB#  ) 5.0 3.2 1.0 

assign (resid   20 and  name HN   )(resid   19 and  name HA   ) 2.7 0.9 0.0
assign (resid   20 and  name HN   )(resid   19 and  name HB#  ) 3.5 1.7 1.0
assign (resid   20 and  name HN   )(resid   19 and  name HG#  ) 3.5 1.7 1.0
assign (resid   20 and  name HN   )(resid   19 and  name HD#  ) 5.0 3.2 1.0
assign (resid   20 and  name HN   )(resid   21 and  name HN   ) 5.0 3.2 0.0
assign (resid   20 and  name HA   )(resid   21 and  name HA   ) 5.0 3.2 0.0

assign (resid   21 and  name HN   )(resid   20 and  name HA   ) 2.7 0.9 0.0
assign (resid   21 and  name HN   )(resid   20 and  name HB#  ) 3.5 1.7 1.0
assign (resid   21 and  name HN   )(resid   20 and  name HG#  ) 5.0 3.2 1.0
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 5.0 3.2 0.0

assign (resid   22 and  name HN   )(resid   21 and  name HA   ) 2.7 0.9 0.0
assign (resid   22 and  name HN   )(resid   21 and  name HB#  ) 3.5 1.7 1.0
assign (resid   22 and  name HN   )(resid   21 and  name HG#  ) 3.5 1.7 1.0
assign (resid   22 and  name HN   )(resid   21 and  name HD#  ) 5.0 3.2 1.0
assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 5.0 3.2 0.0

assign (resid   23 and  name HN   )(resid   22 and  name HA   ) 2.7 0.9 0.0
assign (resid   23 and  name HN   )(resid   22 and  name HB#  ) 3.5 1.7 1.0
assign (resid   23 and  name HN   )(resid   22 and  name HG#  ) 5.0 3.2 1.0
assign (resid   23 and  name HN   )(resid   22 and  name HD#  ) 5.0 3.2 1.0
assign (resid   23 and  name HN   )(resid   24 and  name HN   ) 5.0 3.2 0.0
assign (resid   23 and  name HA   )(resid   24 and  name HA   ) 5.0 3.2 0.0
assign (resid   23 and  name HA   )(resid   24 and  name HB#  ) 5.0 3.2 1.0
assign (resid   23 and  name HA   )(resid   24 and  name HG#  ) 5.0 3.2 1.0
assign (resid   23 and  name HA   )(resid   22 and  name HA   ) 5.0 3.2 0.0

assign (resid   24 and  name HN   )(resid   23 and  name HA   ) 3.5 1.7 0.0
assign (resid   24 and  name HN   )(resid   23 and  name HB#  ) 2.7 0.9 1.0
assign (resid   24 and  name HA   )(resid   25 and  name HA#  ) 5.0 3.2 1.0

assign (resid   25 and  name HN   )(resid   24 and  name HN   ) 5.0 3.2 0.0
assign (resid   25 and  name HN   )(resid   24 and  name HA   ) 2.7 0.9 0.0
assign (resid   25 and  name HN   )(resid   24 and  name HB#  ) 2.7 0.9 1.0
assign (resid   25 and  name HN   )(resid   24 and  name HG#  ) 5.0 3.2 1.0
assign (resid   25 and  name HN   )(resid   24 and  name HD#  ) 5.0 3.2 1.0
assign (resid   25 and  name HN   )(resid   26 and  name HN   ) 5.0 3.2 0.0

assign (resid   26 and  name HN   )(resid   25 and  name HA#  ) 2.7 0.9 1.0
assign (resid   26 and  name HN   )(resid   27 and  name HN   ) 3.5 1.7 0.0

assign (resid   27 and  name HN   )(resid   26 and  name HA#  ) 5.0 3.2 1.0
assign (resid   27 and  name HN   )(resid   28 and  name HN   ) 5.0 3.2 0.0
assign (resid   27 and  name HA   )(resid   26 and  name HA#  ) 3.5 1.7 1.0
assign (resid   27 and  name HA   )(resid   28 and  name HA   ) 5.0 3.2 0.0
assign (resid   27 and  name HA   )(resid   28 and  name HB#  ) 5.0 3.2 1.0
assign (resid   27 and  name HD1  )(resid   25 and  name HA#  ) 5.0 3.2 1.0
assign (resid   27 and  name HD1  )(resid   26 and  name HA#  ) 3.5 1.7 1.0
assign (resid   27 and  name HD1  )(resid   26 and  name HN   ) 3.5 1.7 0.0
assign (resid   27 and  name HE3  )(resid   28 and  name HN   ) 5.0 3.2 0.0

assign (resid   28 and  name HN   )(resid   27 and  name HA   ) 2.7 0.9 0.0
assign (resid   28 and  name HN   )(resid   27 and  name HB#  ) 3.5 1.7 1.0
assign (resid   28 and  name HN   )(resid   29 and  name HN   ) 5.0 3.2 0.0
assign (resid   28 and  name HA   )(resid   29 and  name HA   ) 5.0 3.2 0.0
assign (resid   28 and  name HA   )(resid   27 and  name HB#  ) 5.0 3.2 1.0

assign (resid   29 and  name HN   )(resid   28 and  name HB#  ) 3.5 1.7 1.0
assign (resid   29 and  name HN   )(resid   28 and  name HG#  ) 5.0 3.2 1.0
assign (resid   29 and  name HN   )(resid   30 and  name HN   ) 5.0 3.2 0.0
assign (resid   29 and  name HA   )(resid   28 and  name HB#  ) 5.0 3.2 1.0
assign (resid   29 and  name HA   )(resid   30 and  name HA   ) 5.0 3.2 0.0

assign (resid   30 and  name HN   )(resid   29 and  name HA   ) 2.7 0.9 0.0
assign (resid   30 and  name HN   )(resid   29 and  name HB#  ) 3.5 1.7 1.0
assign (resid   30 and  name HN   )(resid   31 and  name HN   ) 5.0 3.2 0.0

assign (resid   31 and  name HN   )(resid   32 and  name HN   ) 3.5 1.7 0.0
assign (resid   31 and  name HN   )(resid   30 and  name HA   ) 3.5 1.7 0.0
assign (resid   31 and  name HN   )(resid   30 and  name HB#  ) 3.5 1.7 1.0
assign (resid   31 and  name HN   )(resid   30 and  name HG#  ) 3.5 1.7 1.0
assign (resid   31 and  name HN   )(resid   30 and  name HD#  ) 5.0 3.2 1.0
assign (resid   31 and  name HD#  )(resid   30 and  name HA   ) 5.0 3.2 2.4
assign (resid   31 and  name HD#  )(resid   30 and  name HB#  ) 3.5 1.7 3.4
assign (resid   31 and  name HD#  )(resid   30 and  name HG#  ) 5.0 3.2 3.4
assign (resid   31 and  name HD#  )(resid   30 and  name HE#  ) 5.0 3.2 3.4
assign (resid   31 and  name HE#  )(resid   30 and  name HA   ) 5.0 3.2 2.4
assign (resid   31 and  name HE#  )(resid   30 and  name HB#  ) 5.0 3.2 3.4
assign (resid   31 and  name HE#  )(resid   30 and  name HG#  ) 5.0 3.2 3.4
assign (resid   31 and  name HE#  )(resid   30 and  name HE#  ) 5.0 3.2 3.4

assign (resid   32 and  name HN   )(resid   31 and  name HA   ) 5.0 3.2 0.0
assign (resid   32 and  name HN   )(resid   31 and  name HB#  ) 3.5 1.7 1.0
assign (resid   32 and  name HN   )(resid   31 and  name HD#  ) 5.0 3.2 2.4
assign (resid   32 and  name HN   )(resid   33 and  name HN   ) 2.7 0.9 0.0
assign (resid   32 and  name HA   )(resid   33 and  name HA   ) 5.0 3.2 0.0

assign (resid   33 and  name HN   )(resid   32 and  name HA   ) 3.5 1.7 0.0
assign (resid   33 and  name HN   )(resid   32 and  name HB#  ) 3.5 1.7 1.0
assign (resid   33 and  name HN   )(resid   34 and  name HN   ) 5.0 3.2 0.0

assign (resid   34 and  name HN   )(resid   33 and  name HA   ) 3.5 1.7 0.0 
assign (resid   34 and  name HN   )(resid   33 and  name HB#  ) 3.5 1.7 1.0
assign (resid   34 and  name HN   )(resid   33 and  name HG#  ) 5.0 3.2 1.0
assign (resid   34 and  name HN   )(resid   33 and  name HE#  ) 6.0 4.2 2.4
assign (resid   34 and  name HN   )(resid   35 and  name HN   ) 5.0 3.2 0.0
assign (resid   34 and  name HA   )(resid   33 and  name HE#  ) 6.0 4.2 2.4

assign (resid   35 and  name HN   )(resid   34 and  name HA   ) 2.7 0.9 0.0
assign (resid   35 and  name HN   )(resid   34 and  name HB#  ) 3.5 1.7 1.0
assign (resid   35 and  name HN   )(resid   36 and  name HN   ) 5.0 3.2 0.0
assign (resid   35 and  name HG#  )(resid   34 and  name HA   ) 5.0 3.2 2.4

assign (resid   36 and  name HN   )(resid   35 and  name HB   ) 5.0 3.2 0.0 
assign (resid   36 and  name HN   )(resid   35 and  name HG#  ) 3.5 1.7 2.4
assign (resid   36 and  name HN   )(resid   37 and  name HN   ) 5.0 3.2 0.0
assign (resid   36 and  name HA   )(resid   35 and  name HG#  ) 5.0 3.2 2.4
assign (resid   36 and  name HA   )(resid   37 and  name HB   ) 5.0 3.2 0.0
assign (resid   36 and  name HA   )(resid   37 and  name HG#  ) 5.0 3.2 2.4

assign (resid   37 and  name HN   )(resid   36 and  name HA   ) 2.7 0.9 0.0
assign (resid   37 and  name HN   )(resid   36 and  name HB#  ) 3.5 1.7 1.0
assign (resid   37 and  name HN   )(resid   36 and  name HG#  ) 3.5 1.7 1.0
assign (resid   37 and  name HN   )(resid   36 and  name HD#  ) 5.0 3.2 1.0
assign (resid   37 and  name HN   )(resid   36 and  name HE#  ) 6.0 4.2 1.0
assign (resid   37 and  name HG#  )(resid   36 and  name HN   ) 6.0 4.2 2.4
assign (resid   37 and  name HA   )(resid   36 and  name HA   ) 5.0 3.2 0.0

!Middle range
assign (resid    2 and  name HD#  )(resid    4 and  name HA   ) 6.0 4.2 2.4

assign (resid    4 and  name HB#  )(resid    7 and  name HB#  ) 3.5 1.7 2.0

assign (resid    5 and  name HN   )(resid    7 and  name HN   ) 5.0 3.2 0.0

assign (resid    6 and  name HN   )(resid    4 and  name HA   ) 5.0 3.2 0.0
assign (resid    6 and  name HN   )(resid    4 and  name HB#  ) 5.0 3.2 1.0

assign (resid    7 and  name HN   )(resid    4 and  name HA   ) 5.0 3.2 0.0
assign (resid    7 and  name HN   )(resid    4 and  name HB#  ) 5.0 3.2 1.0 
assign (resid    7 and  name HN   )(resid    5 and  name HA   ) 6.0 4.2 0.0
assign (resid    7 and  name HN   )(resid    5 and  name HB#  ) 5.0 3.2 1.0
assign (resid    7 and  name HA   )(resid    4 and  name HB#  ) 5.0 3.2 1.0 

assign (resid    8 and  name HN   )(resid   10 and  name HN   ) 5.0 3.2 0.0

assign (resid   10 and  name HN   )(resid   12 and  name HN   ) 6.0 4.2 0.0

assign (resid   12 and  name HN   )(resid   10 and  name HA   ) 6.0 4.2 0.0
assign (resid   12 and  name HN   )(resid   10 and  name HB   ) 5.0 3.2 0.0
assign (resid   12 and  name HN   )(resid   10 and  name HG2# ) 2.7 0.9 2.4
assign (resid   12 and  name HN   )(resid   10 and  name HD1# ) 5.0 3.2 2.4

assign (resid   13 and  name HN   )(resid   15 and  name HN   ) 5.0 3.2 0.0
assign (resid   13 and  name HN   )(resid   16 and  name HN   ) 5.0 3.2 0.0

assign (resid   14 and  name HN   )(resid   16 and  name HN   ) 5.0 3.2 0.0

assign (resid   15 and  name HN   )(resid   13 and  name HB#  ) 6.0 4.2 1.0

assign (resid   16 and  name HN   )(resid   14 and  name HA#  ) 5.0 3.2 1.0
assign (resid   16 and  name HN   )(resid   13 and  name HA   ) 6.0 4.2 0.0

assign (resid   23 and  name HN   )(resid   27 and  name HB#  ) 6.0 4.2 1.0
assign (resid   23 and  name HA   )(resid   27 and  name HB#  ) 5.0 3.2 1.0
assign (resid   23 and  name HA   )(resid   21 and  name HG#  ) 6.0 4.2 1.0
assign (resid   23 and  name HA   )(resid   21 and  name HE#  ) 6.0 4.2 1.0
assign (resid   23 and  name HB#  )(resid   27 and  name HB#  ) 5.0 3.2 2.0

assign (resid   24 and  name HN   )(resid   27 and  name HN   ) 5.0 3.2 0.0
assign (resid   24 and  name HN   )(resid   27 and  name HB#  ) 3.5 1.7 1.0

assign (resid   25 and  name HN   )(resid   27 and  name HN   ) 5.0 3.2 0.0

assign (resid   26 and  name HN   )(resid   24 and  name HA   ) 6.0 4.2 0.0

assign (resid   27 and  name HN   )(resid   24 and  name HA   ) 6.0 4.2 0.0
assign (resid   27 and  name HN   )(resid   23 and  name HB#  ) 5.0 3.2 1.0
assign (resid   27 and  name HN   )(resid   25 and  name HA#  ) 5.0 3.2 1.0

assign (resid   27 and  name HE1  )(resid   24 and  name HB#  ) 3.5 1.7 1.0
assign (resid   27 and  name HE1  )(resid   24 and  name HG#  ) 5.0 3.2 1.0
assign (resid   27 and  name HE1  )(resid   24 and  name HD#  ) 5.0 3.2 1.0
assign (resid   27 and  name HE1  )(resid   24 and  name HE#  ) 5.0 3.2 1.0

assign (resid   27 and  name HD1  )(resid   24 and  name HN  ) 5.0 3.2 0.0
assign (resid   27 and  name HD1  )(resid   24 and  name HA  ) 5.0 3.2 0.0
assign (resid   27 and  name HD1  )(resid   25 and  name HN  ) 5.0 3.2 0.0
assign (resid   27 and  name HD1  )(resid   24 and  name HB# ) 3.5 1.7 1.0
assign (resid   27 and  name HD1  )(resid   24 and  name HG# ) 5.0 3.2 1.0 
assign (resid   27 and  name HD1  )(resid   24 and  name HE# ) 5.0 3.2 1.0 

assign (resid   30 and  name HN   )(resid   32 and  name HN   ) 5.0 3.2 0.0
assign (resid   30 and  name HN   )(resid   33 and  name HN   ) 3.5 1.7 0.0

assign (resid   31 and  name HN   )(resid   33 and  name HN   ) 5.0 3.2 0.0

assign (resid   32 and  name HN   )(resid   30 and  name HA   ) 6.0 4.2 0.0

assign (resid   33 and  name HN   )(resid   30 and  name HA   ) 5.0 3.2 0.0
assign (resid   33 and  name HN   )(resid   31 and  name HA   ) 5.0 3.2 0.0
assign (resid   33 and  name HN   )(resid   31 and  name HB#  ) 5.0 3.2 1.0

assign (resid   35 and  name HG#  )(resid   33 and  name HG#  ) 5.0 3.2 3.4

assign (resid   37 and  name HN   )(resid   35 and  name HG#  ) 6.0 4.2 2.4
assign (resid   37 and  name HA   )(resid   35 and  name HG#  ) 5.0 3.2 2.4

!Long range
assign (resid    2 and  name HD#  )(resid   18 and  name HB#  ) 6.0 4.2 3.4
assign (resid    2 and  name HD#  )(resid   18 and  name HA   ) 6.0 4.2 2.4
assign (resid    2 and  name HE#  )(resid   16 and  name HE#  ) 6.0 4.2 3.4

assign (resid    3 and  name HN   )(resid   19 and  name HN   ) 6.0 4.2 0.0
assign (resid    3 and  name HA   )(resid   18 and  name HB#  ) 5.0 3.2 1.0
assign (resid    3 and  name HA   )(resid   19 and  name HB#  ) 3.5 1.7 1.0
assign (resid    3 and  name HA   )(resid   19 and  name HG#  ) 5.0 3.2 1.0
assign (resid    3 and  name HA   )(resid   19 and  name HD#  ) 5.0 3.2 1.0

assign (resid    4 and  name HN   )(resid   18 and  name HB#  ) 3.5 1.7 1.0
assign (resid    4 and  name HN   )(resid   19 and  name HN   ) 5.0 3.2 0.0
assign (resid    4 and  name HN   )(resid   19 and  name HB#  ) 5.0 3.2 1.0
assign (resid    4 and  name HN   )(resid   20 and  name HA   ) 5.0 3.2 0.0
assign (resid    4 and  name HN   )(resid   21 and  name HN   ) 5.0 3.2 0.0
assign (resid    4 and  name HA   )(resid   13 and  name HB#  ) 5.0 3.2 1.0
assign (resid    4 and  name HA   )(resid   13 and  name HG#  ) 5.0 3.2 1.0
assign (resid    4 and  name HA   )(resid   18 and  name HB#  ) 2.7 0.9 1.0
assign (resid    4 and  name HA   )(resid   18 and  name HA   ) 6.0 4.2 0.0
assign (resid    4 and  name HB#  )(resid   13 and  name HB#  ) 5.0 3.2 2.0
assign (resid    4 and  name HB#  )(resid   13 and  name HG#  ) 5.0 3.2 2.0
assign (resid    4 and  name HB#  )(resid   18 and  name HB#  ) 5.0 3.2 2.0

assign (resid    5 and  name HN   )(resid   13 and  name HB#  ) 5.0 3.2 1.0
assign (resid    5 and  name HN   )(resid   13 and  name HG#  ) 5.0 3.2 1.0
assign (resid    5 and  name HN   )(resid   18 and  name HB#  ) 5.0 3.2 1.0
assign (resid    5 and  name HA   )(resid   21 and  name HB#  ) 5.0 3.2 1.0
assign (resid    5 and  name HA   )(resid   21 and  name HG#  ) 5.0 3.2 1.0
assign (resid    5 and  name HA   )(resid   21 and  name HD#  ) 5.0 3.2 1.0

assign (resid    6 and  name HN   )(resid   13 and  name HB#  ) 5.0 3.2 1.0
assign (resid    6 and  name HN   )(resid   13 and  name HG#  ) 5.0 3.2 1.0
assign (resid    6 and  name HD#  )(resid   13 and  name HB#  ) 5.0 3.2 3.4
assign (resid    6 and  name HD#  )(resid   13 and  name HG#  ) 5.0 3.2 3.4
assign (resid    6 and  name HE#  )(resid   13 and  name HB#  ) 6.0 4.2 3.4
assign (resid    6 and  name HE#  )(resid   13 and  name HG#  ) 5.0 3.2 3.4
assign (resid    6 and  name HE#  )(resid   13 and  name HA   ) 6.0 4.2 2.4

assign (resid    7 and  name HN   )(resid   13 and  name HB#  ) 5.0 3.2 1.0
assign (resid    7 and  name HN   )(resid   13 and  name HG#  ) 5.0 3.2 1.0
assign (resid    7 and  name HA   )(resid   32 and  name HA   ) 5.0 3.2 0.0

assign (resid    8 and  name HN   )(resid   32 and  name HA   ) 3.5 1.7 0.0
assign (resid    8 and  name HA   )(resid   20 and  name HA   ) 5.0 3.2 0.0
assign (resid    8 and  name HA   )(resid   20 and  name HB#  ) 6.0 4.2 1.0
assign (resid    8 and  name HA   )(resid   21 and  name HB#  ) 5.0 3.2 1.0
assign (resid    8 and  name HA   )(resid   21 and  name HG#  ) 6.0 4.2 1.0
assign (resid    8 and  name HB#  )(resid   21 and  name HB#  ) 5.0 3.2 2.0
assign (resid    8 and  name HB#  )(resid   21 and  name HG#  ) 6.0 4.2 2.0
assign (resid    8 and  name HB#  )(resid   29 and  name HB#  ) 5.0 3.2 2.0

assign (resid    9 and  name HN   )(resid   32 and  name HA   ) 3.5 1.7 0.0
assign (resid    9 and  name HN   )(resid   32 and  name HN   ) 6.0 4.2 0.0

assign (resid   10 and  name HN   )(resid   32 and  name HD2# ) 5.0 3.2 1.0
assign (resid   10 and  name HN   )(resid   32 and  name HA   ) 5.0 3.2 0.0

assign (resid   11 and  name HG#  )(resid   20 and  name HB#  ) 5.0 3.2 2.0
assign (resid   11 and  name HG#  )(resid   20 and  name HG#  ) 5.0 3.2 2.0
assign (resid   11 and  name HG#  )(resid   20 and  name HE#  ) 5.0 3.2 2.0
assign (resid   11 and  name HA   )(resid    4 and  name HB#  ) 5.0 3.2 1.0

assign (resid   17 and  name HA   )(resid    1 and  name HD#  ) 5.0 3.2 2.4
assign (resid   17 and  name HB#  )(resid    1 and  name HD#  ) 5.0 3.2 3.4
assign (resid   17 and  name HG#  )(resid    1 and  name HD#  ) 5.0 3.2 3.4
assign (resid   17 and  name HD#  )(resid    1 and  name HD#  ) 5.0 3.2 3.4

assign (resid   18 and  name HN   )(resid    1 and  name HD#  ) 5.0 3.2 2.4
assign (resid   18 and  name HN   )(resid   11 and  name HB#  ) 5.0 3.2 1.0
assign (resid   18 and  name HN   )(resid   11 and  name HG#  ) 5.0 3.2 1.0
assign (resid   18 and  name HA   )(resid    1 and  name HD#  ) 5.0 3.2 2.4

assign (resid   19 and  name HN   )(resid    3 and  name HA   ) 5.0 3.2 0.0
assign (resid   19 and  name HN   )(resid    1 and  name HD#  ) 5.0 3.2 2.4
assign (resid   19 and  name HA   )(resid    1 and  name HD#  ) 5.0 3.2 2.4

assign (resid   20 and  name HN   )(resid   11 and  name HB#  ) 5.0 3.2 1.0
assign (resid   20 and  name HN   )(resid   11 and  name HG#  ) 5.0 3.2 1.0 
assign (resid   20 and  name HA   )(resid    4 and  name HB#  ) 3.5 1.7 1.0
assign (resid   20 and  name HA   )(resid   11 and  name HG#  ) 5.0 3.2 1.0

assign (resid   21 and  name HN   )(resid    8 and  name HA   ) 3.5 1.7 0.0
assign (resid   21 and  name HN   )(resid    8 and  name HB#  ) 5.0 3.2 1.0
assign (resid   21 and  name HN   )(resid    4 and  name HB#  ) 5.0 3.2 1.0
assign (resid   21 and  name HA   )(resid    3 and  name HA   ) 6.0 4.2 0.0
assign (resid   21 and  name HA   )(resid    3 and  name HB#  ) 5.0 3.2 1.0
assign (resid   21 and  name HA   )(resid    3 and  name HG#  ) 3.5 1.7 1.0

assign (resid   22 and  name HN   )(resid    3 and  name HG#  ) 5.0 3.2 1.0

assign (resid   23 and  name HA   )(resid   34 and  name HB#  ) 5.0 3.2 1.0
assign (resid   23 and  name HB#  )(resid   34 and  name HB#  ) 5.0 3.2 2.0

assign (resid   24 and  name HN   )(resid   34 and  name HB#  ) 6.0 4.2 1.0

assign (resid   27 and  name HN   )(resid   37 and  name HN   ) 5.0 3.2 0.0
assign (resid   27 and  name HN   )(resid   37 and  name HG#  ) 5.0 3.2 2.4
assign (resid   27 and  name HA   )(resid   36 and  name HA   ) 2.7 0.9 0.0
assign (resid   27 and  name HA   )(resid   36 and  name HB#  ) 5.0 3.2 1.0
assign (resid   27 and  name HA   )(resid   36 and  name HG#  ) 5.0 3.2 1.0
assign (resid   27 and  name HA   )(resid   37 and  name HG#  ) 5.0 3.2 2.4
assign (resid   27 and  name HA   )(resid   37 and  name HB   ) 5.0 3.2 0.0

assign (resid   27 and  name HE1  )(resid   36 and  name HA   ) 5.0 3.2 0.0
assign (resid   27 and  name HE1  )(resid   36 and  name HB#  ) 5.0 3.2 1.0
assign (resid   27 and  name HE1  )(resid   36 and  name HG#  ) 3.5 1.7 1.0
assign (resid   27 and  name HE1  )(resid   36 and  name HD#  ) 5.0 3.2 1.0
assign (resid   27 and  name HE1  )(resid   36 and  name HE#  ) 3.5 1.7 1.0

assign (resid   27 and  name HD1  )(resid   36 and  name HA   ) 5.0 3.2 0.0
assign (resid   27 and  name HD1  )(resid   37 and  name HN   ) 6.0 4.2 0.0

assign (resid   27 and  name HE3  )(resid   34 and  name HA   ) 5.0 3.2 0.0
assign (resid   27 and  name HE3  )(resid   34 and  name HN   ) 6.0 4.2 0.0
assign (resid   27 and  name HE3  )(resid   34 and  name HB#  ) 5.0 3.2 1.0
assign (resid   27 and  name HE3  )(resid   35 and  name HN   ) 5.0 3.2 0.0
assign (resid   27 and  name HE3  )(resid   35 and  name HA   ) 5.0 3.2 0.0
assign (resid   27 and  name HE3  )(resid   35 and  name HG#  ) 5.0 3.2 2.4
assign (resid   27 and  name HE3  )(resid   36 and  name HN   ) 5.0 3.2 0.0
assign (resid   27 and  name HE3  )(resid   36 and  name HA   ) 5.0 3.2 0.0
assign (resid   27 and  name HE3  )(resid   36 and  name HB#  ) 5.0 3.2 1.0
assign (resid   27 and  name HE3  )(resid   36 and  name HG#  ) 5.0 3.2 1.0

assign (resid   27 and  name HZ3  )(resid   36 and  name HN   ) 5.0 3.2 0.0
assign (resid   27 and  name HZ3  )(resid   35 and  name HG#  ) 5.0 3.2 2.4

assign (resid   27 and  name HZ2  )(resid   36 and  name HB# ) 5.0 3.2 1.0
assign (resid   27 and  name HZ2  )(resid   36 and  name HG# ) 5.0 3.2 1.0
assign (resid   27 and  name HZ2  )(resid   36 and  name HD# ) 5.0 3.2 1.0
assign (resid   27 and  name HZ2  )(resid   36 and  name HE# ) 5.0 3.2 1.0

assign (resid   28 and  name HN   )(resid   34 and  name HA   ) 6.0 4.2 0.0
assign (resid   28 and  name HN   )(resid   35 and  name HN   ) 3.5 1.7 0.0
assign (resid   28 and  name HN   )(resid   35 and  name HB   ) 5.0 3.2 0.0
assign (resid   28 and  name HN   )(resid   35 and  name HG#  ) 5.0 3.2 2.4
assign (resid   28 and  name HN   )(resid   36 and  name HA   ) 3.5 1.7 0.0
assign (resid   28 and  name HN   )(resid   36 and  name HN   ) 5.0 3.2 0.0
assign (resid   28 and  name HN   )(resid   37 and  name HN   ) 3.5 1.7 0.0
assign (resid   28 and  name HN   )(resid   37 and  name HG#  ) 5.0 3.2 2.4
assign (resid   28 and  name HN   )(resid   23 and  name HB#  ) 5.0 3.2 1.0
assign (resid   28 and  name HA   )(resid   23 and  name HB#  ) 5.0 3.2 1.0

assign (resid   29 and  name HA   )(resid    8 and  name HB#  ) 5.0 3.2 1.0
assign (resid   29 and  name HA   )(resid   34 and  name HA   ) 2.7 0.9 1.0
assign (resid   29 and  name HA   )(resid   34 and  name HB#  ) 5.0 3.2 1.0
assign (resid   29 and  name HA   )(resid   35 and  name HG#  ) 5.0 3.2 2.4

assign (resid   30 and  name HN   )(resid   35 and  name HG#  ) 5.0 3.2 2.4

assign (resid   32 and  name HN   )(resid    9 and  name HB#  ) 5.0 3.2 1.0
assign (resid   32 and  name HA   )(resid    9 and  name HB#  ) 5.0 3.2 1.0
assign (resid   32 and  name HD2# )(resid   10 and  name HB   ) 5.0 3.2 1.0
assign (resid   32 and  name HD2# )(resid   10 and  name HG1# ) 6.0 4.2 2.0
assign (resid   32 and  name HD2# )(resid   10 and  name HG2# ) 6.0 4.2 2.0
assign (resid   32 and  name HD2# )(resid   10 and  name HD1# ) 6.0 4.2 2.0

assign (resid   33 and  name HA   )(resid    6 and  name HB#  ) 6.0 4.2 1.0
assign (resid   33 and  name HA   )(resid    6 and  name HD#  ) 5.0 3.2 2.4
assign (resid   33 and  name HA   )(resid    6 and  name HA   ) 6.0 4.2 0.0
assign (resid   33 and  name HA   )(resid    7 and  name HA   ) 6.0 4.2 0.0
assign (resid   33 and  name HA   )(resid    8 and  name HB#  ) 6.0 4.2 1.0

assign (resid   34 and  name HA   )(resid    8 and  name HB#  ) 5.0 3.2 1.0
assign (resid   34 and  name HA   )(resid   23 and  name HB#  ) 5.0 3.2 1.0
assign (resid   34 and  name HA   )(resid   27 and  name HB#  ) 5.0 3.2 1.0
assign (resid   34 and  name HA   )(resid   28 and  name HA   ) 6.0 4.2 0.0

assign (resid   35 and  name HN   )(resid   27 and  name HB#  ) 5.0 3.2 1.0
assign (resid   35 and  name HN   )(resid   28 and  name HB#  ) 5.0 3.2 1.0
assign (resid   35 and  name HN   )(resid   28 and  name HG#  ) 6.0 4.2 1.0

assign (resid   36 and  name HN   )(resid   27 and  name HE1  ) 6.0 4.2 0.0
assign (resid   36 and  name HA   )(resid   27 and  name HB#  ) 5.0 3.2 1.0

assign (resid   37 and  name HN   )(resid   27 and  name HA   ) 3.5 1.7 0.0
assign (resid   37 and  name HN   )(resid   27 and  name HB#  ) 5.0 3.2 1.0
assign (resid   37 and  name HA   )(resid   28 and  name HB#  ) 5.0 3.2 1.0
assign (resid   37 and  name HG#  )(resid   28 and  name HB#  ) 5.0 3.2 3.4
assign (resid   37 and  name HG#  )(resid   28 and  name HG#  ) 5.0 3.2 3.4



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