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
10782 1qbf 4842 cing recoord 1-original 1 XPLOR/CNS distance NOE ambi


! 11/12/98
! Y1
assign (resid 1 and name HA) (resid 1 and name HD+)  2.5 0.7 1.2
assign (resid 1 and name HB+) (resid 1 and name CZ)  3.0 1.2 3.5 
assign (resid 1 and name HA) (resid 1 and name HB+)  2.5 0.7 1.2 
assign (resid 1 and name CG) (resid 2 and name HD+)  2.5 0.7 3.2 
assign (resid 1 and name HB+) (resid 2 and name HD+)  4.0 2.2 3.0 
assign (resid 1 and name HA) (resid 2 and name HD+)  2.5 0.7 1.2 
assign (resid 1 and name CZ) (resid 2 and name HD+)  4.0 2.2 4.0 
assign (resid 1 and name CZ) (resid 31 and name HA)  4.0 2.2 3.0 
assign (resid 1 and name HA) (resid 30 and name HD++)  4.0 2.2 3.9
assign (resid 1 and name HA) (resid 28 and name HD++)  4.0 2.2 4.4 

! P2
assign (resid 2 and name HD+) (resid 2 and name HG+)  2.5 0.7 2.2
assign (resid 2 and name HA) (resid 3 and name HN)  3.0 1.2 0.5 
assign (resid  2 and name HD+) (resid  28 and name HD++)        4.0 2.2 4.4 
assign (resid  2 and name HD+) (resid  30 and name HD++)        4.0 2.2 4.4 
assign (resid  2 and name HD+) (resid  31 and name HG++)        3.0 1.2 3.9 

! A3
assign (resid 3 and name HA) (resid 3 and name HB+)  2.5 0.7 1.2 
assign (resid 3 and name HA) (resid 3 and name HN)  2.5 0.7 0.2
assign (resid 3 and name HB+) (resid 3 and name HN)  2.5 0.7 0.8
assign (resid 3 and name HB+) (resid 4 and name HN)  2.5 0.7 1.2 
assign (resid   3 and name HB+) (resid  4 and name HA) 3.0 1.2 1.5 
assign (resid 3 and name HN) (resid 27 and name CG)  4.0 2.2 3.0 
assign (resid 3 and name HB+) (resid 28 and name HN)  4.0 2.2 2.0 
assign (resid 3 and name HB+) (resid 27 and name CZ)  3.0 1.2 3.5 
assign (resid 3 and name HA) (resid 26 and name HB+)  4.0 2.2 2.0 
assign (resid 3 and name HA) (resid 27 and name HB+)  4.0 2.2 2.0 
assign (resid 3 and name HA) (resid 30 and name HD++)  4.0 2.2 3.4 

! K4
assign (resid 4 and name HA) (resid 4 and name HN)  3.0 1.2 0.5
assign (resid 4 and name HB+) (resid 4 and name HN)  3.0 1.2 1.1
assign (resid 4 and name HG+) (resid 4 and name HN)  3.0 1.2 1.5
assign (resid   4 and name HA)  (resid  4 and name HB+) 4.0 2.2 2.0
assign (resid 4 and name HG+) (resid 27 and name CZ)  2.5 0.7 3.2 

! P5
assign (resid 5 and name HD+) (resid 6 and name HA)  4.0 2.2 2.0 
assign (resid 5 and name HB+) (resid 20 and name CZ)  3.0 1.2 3.5 
assign (resid 5 and name HG+) (resid 20 and name CZ)  3.0 1.2 3.5 
assign (resid 5 and name HD+) (resid 27 and name CZ)  2.5 0.7 3.2 
assign (resid 5 and name HD+) (resid 27 and name CG)  3.0 1.2 3.5 
assign (resid 5 and name HB+) (resid 30 and name HD++)  4.0 2.2 4.4 
assign (resid 5 and name HA) (resid 6 and name HN)  2.5 0.7 0.2
assign (resid 5 and name HB+) (resid 26 and name HE1)  4.0 2.2 2.0 
assign (resid 5 and name HD+) (resid 26 and name HB+)  3.0 1.2 3.2 

! E6
assign (resid 6 and name HA) (resid 6 and name HN)  2.5 0.7 0.2
assign (resid 6 and name HB+) (resid 6 and name HN)  2.5 0.7 0.8
assign (resid 6 and name HG+) (resid 6 and name HN)  2.5 0.7 1.2
assign (resid   6 and name HA)  (resid  6 and name HB+) 2.5 0.7 1.2
assign (resid   6 and name HA)  (resid  6 and name HG+) 2.5 0.7 1.2
assign (resid 6 and name HA) (resid 7 and name HN)  3.0 1.2 0.5 
assign (resid 6 and name HN) (resid 7 and name HN)  2.5 0.7 0.2
assign (resid 6 and name HG+) (resid 7 and name HN)  2.5 0.7 1.2 
assign (resid 6 and name HA) (resid 7 and name HA)  4.0 2.2 1.0  
assign (resid   6 and name HA)  (resid  7 and name HB+) 3.0 1.2 1.5 
assign (resid 6 and name HG+) (resid 26 and name HE1) 4.0 2.2 3.0 

! A7
assign (resid 7 and name HB+) (resid 7 and name HN)  2.5 0.7 0.8
assign (resid 7 and name HA) (resid 7 and name HB+)  2.5 0.7 1.2 
assign (resid 7 and name HA) (resid 8 and name HD+)  3.0 1.2 1.5 
assign (resid   7 and name HA)  (resid  20 and name CZ)  2.5 0.7 2.2 
assign (resid   7 and name HB+)  (resid  24 and name HN)  4.0 2.2 2.0 
assign (resid   7 and name HB+)  (resid  26 and name HD2)  4.0 2.2 2.0 
assign (resid   7 and name HB+)  (resid  20 and name CZ)   2.5 0.7 3.2 
assign (resid   7 and name HA)  (resid  8 and name HB+) 4.0 2.2 2.0 

! P8
assign (resid 8 and name HB+) (resid 9 and name HN)  2.5 0.7 1.2 
assign (resid 8 and name HD+) (resid 20 and name CZ)  4.0 2.2 4.0 
assign (resid 8 and name HD+) (resid 20 and name CG)  2.5 0.7 3.2 
assign (resid 8 and name HA) (resid 20 and name CZ)  4.0 2.2 3.0 
assign (resid 8 and name HG+) (resid 20 and name CZ)  4.0 2.2 4.0 

! G9
assign (resid 9 and name HA1) (resid 9 and name HN)  2.5 0.7 0.2
assign (resid 9 and name HA2) (resid 9 and name HN)  2.5 0.7 0.2
assign (resid 9 and name HA1) (resid 10 and name HN)  2.5 0.7 0.2
assign (resid 9 and name HA2) (resid 10 and name HN)  2.5 0.7 0.2
assign (resid 9 and name HN) (resid 10 and name HN)  4.0 2.2 1.0
assign (resid 9 and name HA+) (resid 11 and name HN)  3.0 1.2 1.5 
assign (resid 9 and name HN) (resid 10 and name HG+)  3.0 1.2 1.5 
assign (resid 9 and name HA+) (resid 15 and name HA)  4.0 2.2 2.0 

! E10
assign (resid 10 and name HA) (resid 10 and name HN)  2.5 0.7 0.2
assign (resid 10 and name HB+) (resid 10 and name HN)  3.0 1.2 1.1 
assign (resid 10 and name HG+) (resid 10 and name HN)  2.5 0.7 1.2
assign (resid   10 and name HA) (resid  10 and name HG+) 2.5 0.7 1.2
assign (resid   10 and name HA) (resid  10 and name HB+) 3.0 1.2 1.5
assign (resid 10 and name HA) (resid 11 and name HN)  3.0 1.2 0.5 
assign (resid 10 and name HA) (resid 11 and name HB+)  4.0 2.2 2.0 
assign (resid 10 and name HN) (resid 17 and name HN)  4.0 2.2 1.0 
assign (resid 10 and name HA) (resid 16 and name HN)  4.0 2.2 1.5
assign (resid 10 and name HN) (resid 12 and name HB+)  4.0 2.2 2.0 
assign (resid 10 and name HG+) (resid 11 and name HN)  3.0 1.2 1.5 
assign (resid 10 and name HB+) (resid 11 and name HN)  4.0 2.2 2.0 

! D11
assign (resid 11 and name HA) (resid 11 and name HN)  2.5 0.7 0.2
assign (resid 11 and name HB+) (resid 11 and name HN)  2.5 0.7 1.2 
assign (resid 11 and name HA) (resid 11 and name HB+)  4.0 2.2 1.6 
assign (resid 11 and name HB+) (resid 12 and name HN)  3.0 1.2 1.5 
assign (resid 11 and name HN) (resid 12 and name HN)  2.5 0.7 0.2

! A12
assign (resid 12 and name HA) (resid 12 and name HN)  2.5 0.7 0.2
assign (resid   12 and name HA) (resid  12 and name HB+)         2.5 0.7 1.2`
assign (resid 12 and name HA) (resid 13 and name HN)  3.0 1.2 0.5 
assign (resid 12 and name HB+) (resid 13 and name HN)  2.5 0.7 1.2 
assign (resid 12 and name HB+) (resid 15 and name HB+) 4.0 2.2 2.0  
assign (resid   12 and name HB+)        (resid  15 and name HG+) 4.0 2.2 2.5 
assign (resid 12 and name HB+) (resid 16 and name HB+) 4.0 2.2 2.0 
assign (resid 12 and name HB+) (resid 17 and name HD++)  4.0 2.2 4.4 
assign (resid 12 and name HN) (resid 13 and name HN)  2.5 0.7 0.2
assign (resid 12 and name HB+) (resid 16 and name HN)  4.0 2.2 2.0 

! S13
assign (resid 13 and name HB+) (resid 13 and name HN)  2.5 0.7 0.8 
assign (resid 13 and name HB+) (resid 14 and name HA)  4.0 2.2 1.2 
assign (resid 13 and name HN) (resid 16 and name HN)  2.5 0.7 0.2
assign (resid 13 and name HN) (resid 16 and name HB+) 2.5 0.7 1.2 
assign (resid   13 and name HN) (resid  16 and name HG+) 2.5 0.7 1.2 

! P14
assign (resid 14 and name HA) (resid 15 and name HN) 3.0 1.2 0.5 

! E15
assign (resid 15 and name HA) (resid 15 and name HN)  2.5 0.7 0.2
assign (resid 15 and name HB+) (resid 15 and name HN)  2.5 0.7 0.8
assign (resid 15 and name HG+) (resid 15 and name HN) 3.0 1.2 1.5 
assign (resid   15 and name HA) (resid  15 and name HG+) 2.5 0.7 1.2
assign (resid   15 and name HA) (resid  15 and name HB+) 2.5 0.7 1.2
assign (resid 15 and name HA) (resid 16 and name HA)  4.0 2.2 1.0
assign (resid 15 and name HN) (resid 16 and name HN)  2.5 0.7 0.2
assign (resid 15 and name HB+) (resid 16 and name HN)  3.0 1.2 1.5 
assign (resid 15 and name HB+) (resid 17 and name HD++) 4.0 2.2 2.0 
assign (resid   15 and name HG+)        (resid  17 and name HD++) 4.0 2.2 2.0 
assign (resid 15 and name HG+) (resid 19 and name HN)  4.0 2.2 2.5 
assign (resid   15 and name HA) (resid  17 and name HD++) 2.5 0.7 2.6
assign (resid  15 and name HG+)        (resid  18 and name HA) 3.0 1.2 1.5 
assign (resid   15 and name HG+)  (resid  16 and name HA) 3.0 1.2 1.5 

! E16
assign (resid 16 and name HA) (resid 16 and name HN)  2.5 0.7 0.2
assign (resid 16 and name HB+) (resid 16 and name HN)  2.5 0.7 1.2 
assign (resid   16 and name HG+)        (resid  16 and name HN)  2.5 0.7 1.2
assign (resid   16 and name HA) (resid  16 and name HB+) 2.5 0.7 1.2
assign (resid   16 and name HA) (resid  16 and name HG+)        2.5 0.7 1.2
assign (resid 16 and name HN) (resid 17 and name HN)  3.0 1.2 0.5 
assign (resid 16 and name HB+) (resid 17 and name HN)  2.5 0.7 1.2 
assign (resid   16 and name HG+) (resid  17 and name HN)  2.5 0.7 1.2
assign (resid 16 and (name HB+ or name HG+)) (resid 20 and name HN)  4.0 2.2 2.4 
assign (resid 16 and name HN) (resid 17 and name HD++)  4.0 0.7 3.4 

! L17
assign (resid 17 and name HA) (resid 17 and name HN)  2.5 0.7 0.2
assign (resid 17 and name HB+) (resid 17 and name HN)  2.5 0.7 1.2 
assign (resid   17 and name HG)   (resid  17 and name HN)  2.5 0.7 1.2
assign (resid 17 and name HD1+) (resid 17 and name HN)  2.5 0.7 1.2 
assign (resid 17 and name HD2+) (resid 17 and name HN)  2.5 0.7 1.2 
assign (resid   17 and name HA) (resid  17 and name HD++) 2.5 0.7 2.6
assign (resid 17 and name HD++) (resid 18 and name HN)  4.0 0.7 3.4 
assign (resid 17 and name HN) (resid 18 and name HA)  4.0 2.2 1.5 
assign (resid 17 and name HN) (resid 20 and name HN)  4.0 2.2 1.0
assign (resid 17 and name HN) (resid 18 and name HN)  4.0 2.2 1.0
assign (resid 17 and name HN) (resid 20 and name HB+)  4.0 2.2 2.0 
assign (resid 17 and name HD++) (resid 18 and name HA)  3.0 1.2 2.9 
assign (resid   17 and name O) (resid 21 and name HN) 3.0 1.2 0.5 

! S18
assign (resid 18 and name HA) (resid 18 and name HN)  2.5 0.7 0.2
assign (resid 18 and name HB+) (resid 18 and name HN)  2.5 0.7 0.8
assign (resid 18 and name HA) (resid 18 and name HB+)  2.5 0.7 1.2 
assign (resid 18 and name HN) (resid 19 and name HN)  2.5 0.7 0.2
assign (resid 18 and name HA) (resid 19 and name HN)  4.0 2.2 1.0 
assign (resid 18 and name HB+) (resid 19 and name HD+)   2.5 0.7 2.2 
assign (resid 18 and name HB+) (resid 19 and name HN)  3.0 1.2 1.5 
assign (resid 18 and name HA) (resid 19 and name HA)  4.0 2.2 1.0 
assign (resid 18 and name HN) (resid 20 and name HN)  4.0 2.2 1.0
assign (resid 18 and name HA) (resid 21 and name CG)  3.0 1.2 2.5 
assign (resid 18 and name HA) (resid 21 and name HB1)  4.0 2.2 1.5 
assign (resid 18 and name HA) (resid 21 and name HB2)  4.0 2.2 2.0 
assign (resid 18 and name HN) (resid 20 and name CG)  4.0 2.2 3.0 
assign (resid 18 and name HN) (resid 21 and name CG) 4.0 2.2 3.0 
assign (resid   18 and name HA) (resid  19 and (name HB+ or name HG+)) 4.0 2.2 2.4 
assign (resid   18 and name O)  (resid  22 and name HN) 3.0 1.2 0.5 

! R19
assign (resid 19 and name HB+) (resid 19 and name HN)  2.5 0.7 0.8 
assign (resid 19 and name HD+) (resid 19 and name HN)  4.0 2.2 2.0 
assign (resid 19 and name HD1) (resid 19 and name HE)  2.5 0.7 0.3
assign (resid 19 and name HD2) (resid 19 and name HE)  2.5 0.7 0.3
assign (resid 19 and name HB+) (resid 19 and name HE)  2.5 0.7 1.2 
assign (resid   19 and name HG+)        (resid  19 and name HE)  2.5 0.7 1.2
assign (resid 19 and name HA) (resid 20 and name HB+)  4.0 2.2 2.0 
assign (resid 19 and name HN) (resid 22 and name HN) 4.0 2.2 2.5 
assign (resid   19 and name O)  (resid  23 and name HN) 3.0 1.2 2.5 

! Y20
assign (resid 20 and name HA) (resid 20 and name HN)  2.5 0.7 0.2
assign (resid 20 and name HB+) (resid 20 and name HN)  2.5 0.7 0.8
assign (resid 20 and name HA) (resid 20 and name HD+)  2.5 0.7 1.2 
assign (resid 20 and name HN) (resid 20 and name CG)  3.0 1.2 2.5 
assign (resid 20 and name HB+) (resid 20 and name CG)  2.5 0.7 3.2 
assign (resid 20 and name HB+) (resid 21 and name HA)  4.0 2.2  2.0 
assign (resid 20 and name HB+) (resid 21 and name HN)  3.0 1.2 1.5 
assign (resid 20 and name HN) (resid 21 and name HN)  2.5 0.7 0.2
assign (resid 20 and name HN) (resid 21 and name HA)  4.0 2.2 1.0 
assign (resid 20 and name CG) (resid 21 and name HA)  3.0 1.2 2.5 
assign (resid 20 and name CZ) (resid 21 and name HA)  4.0 2.2 3.0 
assign (resid 20 and name CG) (resid 21 and name HN)  2.5 0.7 2.2 
assign (resid 20 and name HN) (resid 21 and name CG)  4.0 2.2 3.0 
assign (resid 20 and name CZ) (resid 21 and name CZ)  4.0 2.2 6.0 
assign (resid 20 and name CZ) (resid 21 and name CG)  4.0 2.2 5.0 
assign (resid 20 and name HB+) (resid 22 and name HN)  4.0 2.2 2.0 
assign (resid 20 and name HB+) (resid 21 and name CZ)  4.0 2.2 4.0 
assign (resid 20 and name HA) (resid 21 and name CZ)  4.0 2.2 3.5 
assign (resid 20 and name CZ) (resid 21 and name HB+)  4.0 2.2 4.0 
assign (resid 20 and name CZ) (resid 23 and name HB+)  4.0 2.2 4.0 
assign (resid 20 and name HN) (resid 24 and name HD++)  4.0 2.2 3.9 
assign (resid 20 and name CZ) (resid 24 and name HG)  4.0 2.2 3.0 
assign (resid   20 and name O)  (resid  24 and name HN) 3.0 1.2 0.5 

! Y21
assign (resid 21 and name HA) (resid 21 and name HN)  2.5 0.7 0.2
assign (resid 21 and name HB+) (resid 21 and name HN)  2.5 0.7 0.8 
assign (resid 21 and name HA) (resid 21 and name HB+)  2.5 0.7 1.2 
assign (resid 21 and name HN) (resid 21 and name CG)  3.0 1.2 2.5 
assign (resid 21 and name HB+) (resid 21 and name CG)  2.5 0.7 3.2 
assign (resid 21 and name HA) (resid 21 and name CG)  2.5 0.7 2.2 
assign (resid 21 and name HB+) (resid 21 and name CZ)  3.0 1.2 3.5 
assign (resid 21 and name HA) (resid 21 and name CZ)  4.0 2.2 3.0 
assign (resid 21 and name HN) (resid 22 and name HN) 3.0 1.2 0.5 
assign (resid 21 and name HA) (resid 22 and name HN)  3.0 1.2 0.5 
assign (resid 21 and name HB+) (resid 22 and name HN)  4.0 2.2 2.0 
assign (resid 21 and name HN) (resid 23 and name HN)  4.0 2.2 1.0 
assign (resid 21 and name HB+) (resid 23 and name HN)  4.0 2.2 2.0 
assign (resid 21 and name CG) (resid 22 and name HN)  3.0 1.2 2.5 
assign (resid 21 and name CZ) (resid 25 and name HD+)  3.0 1.2 3.5 
assign (resid 21 and name CG) (resid 24 and name HG)  4.0 2.2 3.0 
assign (resid 21 and name CG) (resid 22 and name HB+)  4.0 2.2 4.0 
assign (resid 21 and name CG) (resid 24 and name HB+)  4.0 2.2 4.5 
assign (resid 21 and name CZ) (resid 22 and name HB+) 4.0 2.2 4.5 
assign (resid   21 and name O)  (resid  25 and name HN) 3.0 1.2 0.5 

! A22
assign (resid 22 and name HA) (resid 22 and name HN)  2.5 0.7 0.2
assign (resid 22 and name HA) (resid 22 and name HB+)  2.5 0.7 1.2 
assign (resid 22 and name HB+) (resid 22 and name HN)  2.5 0.7 0.8 
assign (resid 22 and name HB+) (resid 23 and name HN) 3.0 1.2 1.5 
assign (resid 22 and name HN) (resid 23 and name HN)  2.5 0.7 0.2
assign (resid 22 and name HB+) (resid 25 and name HN)  4.0 2.2 2.0 

! S23
assign (resid 23 and name HA) (resid 23 and name HN)  2.5 0.7 0.2
assign (resid 23 and name HB+) (resid 23 and name HN)  2.5 0.7 0.8
assign (resid 23 and name HA) (resid 23 and name HB+)  2.5 0.7 1.2 
assign (resid 23 and name HA) (resid 24 and name HN)  3.0 1.2 0.5
assign (resid 23 and name HB+) (resid 24 and name HN)  3.0 1.2 1.5 
assign (resid 23 and name HN) (resid 25 and name HD+)  4.0 2.2 2.0 
assign (resid 23 and name HN) (resid 24 and name HD++)  3.0 1.2 2.9 
assign (resid 23 and name HA) (resid 24 and name HD++)  4.0 2.2 2.9 

! L24
assign (resid 24 and name HA) (resid 24 and name HN)  3.0 1.2 0.5
assign (resid 24 and name HB+) (resid 24 and name HN)  2.5 0.7 0.8
assign (resid 24 and name HG) (resid 24 and name HN)  2.5 0.7 0.2
assign (resid 24 and name HD++) (resid 24 and name HN)  2.5 0.7 2.6 
assign (resid   24 and name HA) (resid  24 and name HD++) 2.5 0.7 2.6
assign (resid   24 and name HA) (resid  24 and name HG) 3.0 1.2 0.5 
assign (resid 24 and name HN) (resid 25 and name HN)  3.0 1.2 0.5
assign (resid 24 and name HN) (resid 26 and name HE1)  4.0 2.2 1.0 
assign (resid 24 and name HN) (resid 25 and (name HB+ or name HG+))  4.0 2.2 2.4 
assign (resid 24 and name HG) (resid 27 and name HN)  4.0 2.2 3.1 
assign (resid 24 and name HD++) (resid 25 and name HN)  4.0 0.7 3.4 
assign (resid 24 and name HG) (resid 25 and name HN)  4.0 2.2 1.1

! R25
assign (resid 25 and name HA) (resid 25 and name HN)  2.5 0.7 0.2
assign (resid 25 and name HG+) (resid 25 and name HN)  2.5 0.7 1.2 
assign (resid 25 and name HD+) (resid 25 and name HE)   2.5 0.7 1.2 
assign (resid 25 and name HN) (resid 25 and name HE)  4.0 2.2 2.5
assign (resid 25 and name HB+) (resid 25 and name HE)  2.5 0.7 1.2 
assign (resid   25 and name HA) (resid   25 and name HG+) 2.5 0.7 1.2
assign (resid 25 and name HN) (resid 27 and name CG)  4.0 2.2 4.0 
assign (resid 25 and name HN) (resid 26 and name HE1)  4.0 2.2 1.0
assign (resid 25 and name HE) (resid 26 and name HN)  4.0 0.7 0.2
assign (resid 25 and name HN) (resid 26 and name HB+)  4.0 2.2 2.0 
assign (resid 25 and (name HB+ or name HG+)) (resid 26 and name HN)  2.5 0.7 1.6 
assign (resid 25 and (name HB+ or name HG+)) (resid 27 and name CG)  4.0 2.2 4.9 
assign (resid 25 and (name HB+ or name HG+)) (resid 29 and name HD++)  4.0 2.2 4.8 
assign (resid 25 and name O) (resid 29 and name HN) 2.5 0.7 0.2 

! H26
assign (resid 26 and name HN) (resid 26 and name HA)  2.5 0.7 0.2
assign (resid 26 and name HA) (resid 26 and name HB+)  2.5 0.7 1.2 
assign (resid 26 and name HB+) (resid 26 and name HN)  3.0 1.2 1.1  
assign (resid 26 and name HB+) (resid 26 and name HE1)  4.0 2.2 2.0 
assign (resid 26 and name HN) (resid 27 and name HN)  3.0 1.2 0.5 
assign (resid 26 and name HB+) (resid 27 and name CG)  4.0 2.2 4.0 
assign (resid 26 and name HB+) (resid 27 and name CZ)  4.0 2.2 4.5 
assign (resid 26 and name HE1) (resid 30 and name HD++) 4.0 2.2 3.9 
assign (resid 26 and name HD2) (resid 30 and name HD++)  4.0 2.2 3.9 
assign (resid 26 and name HD2) (resid 31 and name HG++)  4.0 2.2 3.4 
assign (resid   26 and name O)  (resid  30 and name HN) 3.0 1.2 0.5 

! Y27
assign (resid 27 and name HA) (resid 27 and name HB+)  2.5 0.7 1.2 
assign (resid 27 and name HA) (resid 27 and name HD+)  3.0 1.2 1.5 
assign (resid 27 and name HN) (resid 27 and name CG)  2.5 0.7 2.2 
assign (resid 27 and name HB+) (resid 27 and name CG)  2.5 0.7 3.2 
assign (resid 27 and name HB+) (resid 28 and name HN)  2.5 0.7 1.2
assign (resid 27 and name HN) (resid 28 and name HN)   4.0 2.2 1.0    
assign (resid 27 and name HN) (resid 28 and name HA)  4.0 2.2 2.0 
assign (resid 27 and name CZ) (resid 30 and name HD++)  4.0 2.2 5.4 
assign (resid 27 and name CG) (resid 30 and name HD++)  2.5 0.7 4.6 
assign (resid 27 and name CZ) (resid 31 and name HG1+)  2.5 0.7 3.2 
assign (resid 27 and name CZ) (resid 31 and name HG2+) 3.0 1.2 3.5 
assign (resid 27 and name CG) (resid 31 and name HG1+)  2.5 0.7 3.2 
assign (resid 27 and name CG) (resid 31 and name HG2+)  2.5 0.7 3.2 
assign (resid 27 and name CZ) (resid 32 and name HG2+)  4.0 2.2 4.5 
assign (resid 27 and name CZ) (resid 28 and name HN)  3.0 1.2 2.5 
assign (resid 27 and name HN) (resid 30 and name HN)  4.0 2.2 1.0
assign (resid 27 and name CG) (resid 29 and name HN)  4.0 2.2 3.0 
assign (resid 27 and name CG) (resid 31 and name HN)  4.0 2.2 3.0 
assign (resid 27 and name HB+) (resid 30 and name HN)  4.0 2.2 2.0 
assign (resid 27 and name CG) (resid 28 and name HA)  3.0 1.2 2.5 
assign (resid 27 and name CZ) (resid 28 and name HA)  4.0 2.2 3.0 
assign (resid 27 and name HN) (resid 28 and name HD++)  4.0 2.2 3.4 
assign (resid 27 and name CG) (resid 28 and name HD++)  2.5 0.7 4.6 
assign (resid 27 and name CG) (resid 32 and name HG2+)  4.0 2.2 4.0 
assign (resid 27 and name CG) (resid 28 and name HG)  4.0 2.2 3.0 
assign (resid 27 and name CG) (resid 30 and name HB+)  4.0 2.2 3.0 
assign (resid 27 and name CZ) (resid 28 and name HD++)  2.5 0.7 4.6 
assign (resid 27 and name CZ) (resid 31 and name HB)  4.0 2.2 3.5 
assign (resid   27 and name O)  (resid  31 and name HN) 4.0 2.2 1.0 

! L28
assign (resid 28 and name HA) (resid 28 and name HN)  2.5 0.7 0.2
assign (resid 28 and name HD++) (resid 28 and name HN)  2.5 0.7 2.6 
assign (resid 28 and name HG) (resid 28 and name HN) 4.0 1.2 1.0 
assign (resid 28 and name HA) (resid 28 and name HB+)  2.5 0.7 1.2
assign (resid 28 and name HA) (resid 28 and name HD++)  2.5 0.7 2.6 
assign (resid 28 and name HN) (resid 29 and name HN)  2.5 0.7 0.2
assign (resid 28 and name HD++) (resid 29 and name HN)  2.5 0.7 2.6 
assign (resid 28 and name HB+) (resid 29 and name HN)  3.0 1.2 1.5 
assign (resid 28 and name HD++) (resid 31 and name HG1+)  3.0 1.2 3.9 
assign (resid 28 and name HD++) (resid 31 and name HG2+)  2.5 0.7 3.6 
assign (resid 28 and name HN) (resid 32 and name HB)  4.0 2.2 1.0 
assign (resid 28 and name HN) (resid 31 and name HG++) 2.5 0.7 2.6 
assign (resid 28 and name HD++) (resid 35 and name HN)  4.0 2.2 4.4 
assign (resid 28 and name HD++) (resid 31 and name HN)  2.5 0.7 2.6 
assign (resid 28 and name HD++) (resid 32 and name HN)  3.0 1.2 2.9 
assign (resid   28 and name O)  (resid  32 and name HN) 4.0 2.2 1.0 

! N29
assign (resid 29 and name HN) (resid 29 and name HA)  2.5 0.7 0.2
assign (resid 29 and name HN) (resid 29 and name HB+)  3.0 1.2 1.5 
assign (resid 29 and name HA) (resid 29 and name HB+)  2.5 0.7 1.2 
assign (resid 29 and name HB1) (resid 29 and name HD2+)  2.5 0.7 1.2 
assign (resid 29 and name HB2) (resid 29 and name HD2+)  3.0 1.2 1.5 
assign (resid 29 and name HN) (resid 29 and name HD2+)  4.0 2.2 2.0 
assign (resid 29 and name HN) (resid 30 and name HN)  2.5 0.7 0.2
assign (resid 29 and name HA) (resid 30 and name HN)  3.0 1.2 0.5 
assign (resid 29 and name HB+) (resid 30 and name HN)  3.0 1.2 1.5 
assign (resid 29 and name HN) (resid 31 and name HA)   4.0 2.2 1.7 
assign (resid 29 and name HB+) (resid 31 and name HN)   4.0 2.2 2.0 
assign (resid 29 and name HD2+) (resid 30 and name HN)   3.0 1.2 1.5 
assign (resid 29 and name HD2+) (resid 30 and name HA)   3.0 1.2 1.5 
assign (resid 29 and name HD2+) (resid 32 and name HB)   4.0 2.2 2.5 
assign (resid 29 and name HN) (resid 30 and name HD++)   4.0 2.2 3.4 
assign (resid 29 and name HA) (resid 30 and name HD++)   4.0 2.2 3.4 
assign (resid 29 and name HD2+) (resid 32 and name HG2+)  4.0 2.2 3.0 
assign (resid 29 and name O) (resid 33 and name HN) 2.5 0.7 0.2 
! L30
assign (resid 30 and name HA) (resid 30 and name HN)  2.5 0.7 0.2
assign (resid 30 and name HD++) (resid 30 and name HN) 2.5 0.7 2.6 
assign (resid 30 and name HG) (resid 30 and name HN)  3.0 1.2 0.5 
assign (resid 30 and name HB+) (resid 30 and name HN)  3.0 1.2 0.6
assign (resid 30 and name HD++) (resid 30 and name HB+)  2.5 0.7 3.6 
assign (resid   30 and name HD++)       (resid  30 and name HG) 2.5 0.7 2.6
assign (resid   30 and name HA) (resid  30 and name HD++) 2.5 0.7 2.6
assign (resid   30 and name HA) (resid  30 and name HG) 3.0 1.2 0.5 
assign (resid   30 and name HA) (resid  30 and name HB+) 2.5 0.7 1.2
assign (resid 30 and name HN) (resid 31 and name HA)  4.0 2.2 1.0 
assign (resid 30 and name HA) (resid 31 and name HN)  3.0 1.2 0.5 
assign (resid 30 and name HD++) (resid 31 and name HN)  2.5 0.7 2.6 
assign (resid 30 and name HG) (resid 31 and name HN)  3.0 1.2 0.5 
assign (resid 30 and name HD++) (resid 31 and name HG1+)  2.5 0.7 3.6 
assign (resid 30 and name HD++) (resid 31 and name HG2+)  4.0 2.2 4.4 
assign (resid 30 and name HN) (resid 32 and name HA)  4.0 2.2 2.0 
assign (resid 30 and name HB+) (resid 31 and name HG++)  4.0 2.2 4.4 
assign (resid 30 and name HN) (resid 31 and name HN)  2.5 0.7 0.2
assign (resid 30 and name HA) (resid 34 and name HE2+)  4.0 2.2 3.0 
assign (resid 30 and name HD++) (resid 35 and name HN)  4.0 2.2 3.9 
assign (resid   30 and name O) (resid  34 and name HN) 2.5 0.7 0.2

! V31
assign (resid 31 and name HG1+) (resid 31 and name HN)  3.0 1.2 1.5 
assign (resid 31 and name HG2+) (resid 31 and name HN)  2.5 0.7 1.2 
assign (resid 31 and name HG1+) (resid 31 and name HB)  2.5 0.7 1.2 
assign (resid 31 and name HG2+) (resid 31 and name HB)  2.5 0.7 1.2 
assign (resid 31 and name HA) (resid 31 and name HN)  2.5 0.7 0.2
assign (resid 31 and name HG++) (resid 31 and name HN)  2.5 0.7 2.9 
assign (resid   31 and name HA) (resid  31 and name HB)  2.5 0.7 0.2
assign (resid   31 and name HA) (resid   31 and name HG1+) 2.5 0.7 1.2
assign (resid   31 and name HA) (resid   31 and name HG2+)      2.5 0.7 1.2
assign (resid 31 and name HA) (resid 32 and name HA)  4.0 2.2 1.0
assign (resid 31 and name HG1+) (resid 32 and name HN)  3.0 1.2 1.5 
assign (resid 31 and name HG2+) (resid 32 and name HN)  2.5 0.7 1.2 
assign (resid 31 and name HG1+) (resid 32 and name HG2+)  4.0 2.2 3.0 
assign (resid 31 and name HG2+) (resid 32 and name HG2+)   3.0 1.2 2.5 
assign (resid 31 and name HA) (resid 32 and name HB)  4.0 2.2 2.0 
assign (resid 31 and name HA) (resid 35 and name HN)  4.0 2.2 1.6
assign (resid 31 and name HG++) (resid 35 and name HE)  4.0 2.2 3.4 
assign (resid 31 and name HB) (resid 32 and name HN) 4.0 2.2 1.0 
assign (resid   31 and name HA) (resid  32 and name HG++) 2.5 0.7 2.6
assign (resid  31 and name HG1+)       (resid  32 and name HA) 4.0 2.2 2.5
assign (resid  31 and name HG2+)       (resid  32 and name HA)  4.0 2.2 2.0
assign (resid   31 and name HG++)       (resid  32 and name HB) 4.0 2.2 3.4

! T32
assign (resid 32 and name HA) (resid 32 and name HN)  2.5 0.7 0.2
assign (resid 32 and name HB) (resid 32 and name HN)  3.0 1.2 0.5 
assign (resid 32 and name HG2+) (resid 32 and name HN)  2.5 0.7 1.2
assign (resid   32 and name HA) (resid  32 and name HG++) 2.5 0.7 2.6
assign (resid   32 and name HB) (resid  32 and name HG++) 2.5 0.7 2.6
assign (resid 32 and name HA) (resid 33 and name HN)  4.0 2.2 1.0 
assign (resid 32 and name HB) (resid 33 and name HN)  4.0 2.2 1.0 
assign (resid 32 and name HB) (resid 33 and name HD+)  4.0 2.2 2.0 
assign (resid 32 and name HN) (resid 34 and name HN)  4.0 2.2 1.0
assign (resid 32 and name HB) (resid 34 and name HE2+)   3.0 1.2 1.5 
assign (resid 32 and name HG2+) (resid 34 and name HN)  4.0 2.2 2.0 
assign (resid 32 and name HN) (resid 33 and name HG+)  4.0 2.2 2.0 

! R33
assign (resid 33 and name HD+) (resid 33 and name HN)  4.0 2.2 2.0 
assign (resid 33 and name HB+) (resid 33 and name HE)  3.0 1.2 1.5 
assign (resid 33 and name HG+) (resid 33 and name HE)  2.5 0.7 1.2 
assign (resid 33 and name HA) (resid 33 and name HD+)  4.0 2.2 2.0 
assign (resid 33 and name HN) (resid 35 and name HN)  3.0 1.2 0.5 
assign (resid 33 and name HN) (resid 34 and name HN)  2.5 0.7 0.2
assign (resid 33 and name HD+) (resid 34 and name HN)  3.0 1.2 1.5 
assign (resid 33 and name HN) (resid 34 and name HA)  4.0 2.2 1.0 
assign (resid 33 and name HD+) (resid 34 and name HE2+)   2.5 0.7 2.2 
assign (resid 33 and name HG+) (resid 35 and name HE)  4.0 2.2 2.0 
assign (resid 33 and name HB+) (resid 34 and name HE2+)   3.0 1.2 2.5 
assign (resid 33 and name HG+) (resid 34 and name HE2+)   3.0 1.2 2.5 

! Q34
assign (resid 34 and name HA) (resid 34 and name HN)  2.5 0.7 0.2
assign (resid 34 and name HB+) (resid 34 and name HN)  2.5 0.7 1.2 
assign (resid   34 and name HG+)        (resid  34 and name HN)  2.5 0.7 1.2
assign (resid 34 and name HA) (resid 34 and name HE2+)  3.0 1.2 1.5 
assign (resid 34 and name HB+) (resid 34 and name HE2+)  2.5 0.7 2.2 
assign (resid   34 and name HG+)        (resid  34 and name HE2+)        2.5 0.7 2.2 
assign (resid   34 and name HA) (resid  34 and name HB+) 2.5 0.7 1.2
assign (resid 34 and name HN) (resid 35 and (name HB+ or name HG+)) 4.0 2.2 2.4 
assign (resid 34 and name HE2+) (resid 35 and name HN)  4.0 2.2 2.0 
assign (resid 34 and name HE2+) (resid 35 and name HD+)  4.0 2.2 3.0 
assign (resid 34 and (name HB+ or name HG+)) (resid 35 and name HE)  4.0 2.2 2.4 

! R35
assign (resid 35 and name HA) (resid 35 and name HN)  2.5 0.7 0.2
assign (resid 35 and name HA) (resid 35 and name HD+) 3.0 1.2 1.5
assign (resid 35 and name HB+) (resid 35 and name HN)  3.0 1.2 1.1 
assign (resid 35 and name HG+) (resid 35 and name HN)  2.5 0.7 1.2
assign (resid 35 and name HD+) (resid 35 and name HN)  4.0 2.2 2.0 
assign (resid 35 and name HA) (resid 35 and name HE)  2.5 0.7 1.0 
assign (resid 35 and name HE) (resid 35 and name HB+) 2.5 0.7 1.2 
assign (resid   35 and name HA) (resid  35 and name HB+) 2.5 0.7 1.2
assign (resid   35 and name HA) (resid  35 and name HG+)        2.5 0.7 1.2
assign (resid 35 and name HA) (resid 36 and name HN)  2.5 0.7 0.2
assign (resid 35 and name HD+) (resid 36 and name HB+)  3.0 1.2 2.5 

! Y36
assign (resid 36 and name HA) (resid 36 and name HN)  2.5 0.7 0.2
assign (resid 36 and name HB+) (resid 36 and name HN)  2.5 0.7 1.2 
assign (resid 36 and name HB1) (resid 36 and name CG)  2.5 0.7 2.2 
assign (resid 36 and name HB2) (resid 36 and name CG)  2.5 0.7 2.2 
assign (resid 36 and name HA) (resid 36 and name H+)  3.0 1.2 1.5 
assign (resid 36 and name HB1) (resid 36 and name H+)  2.5 0.7 1.2 
assign (resid 36 and name HB2) (resid 36 and name H+)  2.5 0.7 1.2 
assign (resid 36 and name HN) (resid 36 and name H+)  2.5 0.7 1.2 
assign (resid 36 and name HN) (resid 36 and name CG)  2.5 0.7 2.2 
assign (resid 36 and name HA) (resid 36 and name CG)  2.5 0.7 2.2 
assign (resid 36 and name HB+) (resid 36 and name CZ)  4.0 2.2 4.0 


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