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
609762 2nbs 25994 cing 1-original 1 XPLOR/CNS distance NOE simple


!assign (resid 2 and name HA) (resid 2 and name HB#) 3.3 0.6 0.5
!assign (resid 2 and name H) (resid 3 and name H)      3.5 0.6 0.6

!assign (resid 3 and name H) (resid 1 and name HB#)      3.6 0.6 0.6
!assign (resid 3 and name H) (resid 1 and name HG#)      3.1 0.6 0.6
!assign (resid 3 and name H) (resid 2 and name HB#)      3.3 0.6 0.5
!assign (resid 3 and name H) (resid 3 and name HA)      3.5 0.6 0.6
!assign (resid 3 and name H) (resid 2 and name HA)      3.9 0.6 0.6

!assign (resid 4 and name HB2) (resid 4 and name HA) 3.5 0.6 0.6

!assign (resid 5 and name H) (resid 4 and name HA)      3.5 0.6 0.6

!assign (resid 6 and name HA) (resid 6 and name HB#) 2.8 0.5 0.6

!assign (resid 7 and name H) (resid 6 and name HA)      3.5 0.6 0.6
!assign (resid 7 and name H) (resid 6 and name HB#)      3.8 0.6 0.6
!assign (resid 7 and name H) (resid 7 and name HA)      3.5 0.6 0.6
!assign (resid 7 and name H) (resid 7 and name HB)      3.5 0.6 0.6
!assign (resid 7 and name H) (resid 7 and name HG#)     3.5 0.6 0.6
!assign (resid 7 and name HB) (resid 7 and name HA) 3.5 0.6 0.6
!assign (resid 7 and name HB) (resid 7 and name HG#) 3.0 0.6 0.5
!assign (resid 7 and name HG#) (resid 7 and name HA) 3.0 0.6 0.6
!assign (resid 7 and name HG#) (resid 7 and name HB) 3.0 0.6 0.5
!assign (resid 8 and name HA) (resid 9 and name HG*) 5.0 0.5 0.5

!assign (resid 8 and name H) (resid 7 and name HA)      3.4 0.6 0.6
!assign (resid 8 and name H) (resid 7 and name HB)      3.9 0.6 0.6
!assign (resid 8 and name H) (resid 7 and name HG#)     3.9 0.6 0.6
!assign (resid 8 and name H) (resid 8 and name HA)      3.2 0.6 0.6
!assign (resid 8 and name H) (resid 8 and name HG#)      3.5 0.6 0.6
!assign (resid 8 and name H) (resid 8 and name HB#)      2.8 0.5 0.6

!assign (resid 9 and name HA) (resid 9 and name HB2) 3.5 0.6 0.6
!assign (resid 9 and name HA) (resid 9 and name HG*) 3.5 0.6 0.6
!assign (resid 9 and name HB3) (resid 9 and name HG*) 3.5 0.6 0.6
!assign (resid 9 and name HG*) (resid 9 and name HA) 3.6 0.6 0.6
!assign (resid 9 and name HG*) (resid 9 and name HB2) 3.3 0.6 0.5
!assign (resid 9 and name HG*) (resid 54 and name HA) 5.0 0.5 0.5
!assign (resid 9 and name HA) (resid 54 and name HA) 5.0 0.5 0.5
!assign (resid 9 and name HB3) (resid 9 and name HA) 3.5 0.6 0.6
!assign (resid 9 and name HB3) (resid 53 and name HA) 5.0 0.5 0.5
!assign (resid 9 and name HB2) (resid 54 and name HB2) 5.0 0.5 0.5
!assign (resid 9 and name HG*) (resid 8 and name HA) 5.0 0.5 0.5

!assign (resid 10 and name H) (resid 9 and name HA)     3.5 0.6 0.6
assign (resid 10 and name H) (resid 53 and name HB#)    4.2 1.2 1.2
!assign (resid 10 and name H) (resid 9 and name HB3)    3.5 0.5 0.5
!assign (resid 10 and name H) (resid 9 and name HB2)    3.2 0.6 0.6
!assign (resid 10 and name H) (resid 9 and name HG#)     4.3 0.5 0.6
!assign (resid 10 and name H) (resid 10 and name HA)    3.1 0.6 0.6
!assign (resid 10 and name H) (resid 10 and name HB#)    3.1 0.6 0.6
!assign (resid 10 and name HA) (resid 10 and name HB#) 3.0 0.6 0.6

!assign (resid 12 and name H) (resid 11 and name HA)    2.4 0.6 0.5
!assign (resid 12 and name H) (resid 11 and name HB#)   3.5 0.6 0.6
!assign (resid 12 and name H) (resid 12 and name HB#)    3.1 0.6 0.6
!assign (resid 12 and name HA) (resid 12 and name HB#) 2.8 0.5 0.6

!assign (resid 13 and name H) (resid 12 and name HA)    3.1 0.6 0.6
!assign (resid 13 and name H) (resid 13 and name HB)    3.3 0.6 0.5
!assign (resid 13 and name H) (resid 13 and name HG#)   2.8 0.5 0.6

!assign (resid 14 and name H) (resid 13 and name HA)    3.1 0.6 0.6
!assign (resid 14 and name H) (resid 14 and name HD1*)   3.6 0.6 0.6
!assign (resid 14 and name H) (resid 14 and name HG2*)   3.2 0.6 0.6
!assign (resid 14 and name H) (resid 15 and name HB#)    5.0 0.5 0.5
!assign (resid 14 and name HB) (resid 14 and name HG2*) 3.0 0.6 0.6
!assign (resid 14 and name HD1*) (resid 14 and name HB) 3.5 0.6 0.6
!assign (resid 14 and name HD1*) (resid 14 and name HG2*) 2.8 0.5 0.5
!assign (resid 14 and name HD1*) (resid 15 and name HG*) 5.0 0.5 0.5
!assign (resid 14 and name HD1*) (resid 20 and name HG) 4.0 0.5 0.5
!assign (resid 14 and name HD1*) (resid 20 and name HD2*) 5.7 0.6 0.3
assign (resid 14 and name HD1*) (resid 62 and name QD) 1.8 0.0 4.2
assign (resid 14 and name HD1*) (resid 19 and name HB#) 4.2 0.5 1.8
assign (resid 14 and name HD1*) (resid 23 and name HB#) 3.8 0.5 2.2

!assign (resid 15 and name H) (resid 14 and name HA)    3.3 0.6 0.5
!assign (resid 15 and name H) (resid 14 and name HD1*)   3.5 0.6 0.6
!assign (resid 15 and name H) (resid 14 and name HG2*)   3.0 0.5 0.5
!assign (resid 15 and name H) (resid 15 and name HA)    3.5 0.6 0.6
!assign (resid 15 and name H) (resid 15 and name HG*)    2.8 0.5 0.6
!assign (resid 15 and name HA) (resid 15 and name QD) 4.0 0.6 0.6
1assign (resid 15 and name HA) (resid 15 and name HG*) 3.3 0.6 0.5
!assign (resid 15 and name HB#) (resid 15 and name HA) 2.8 0.5 0.6
!assign (resid 15 and name HB#) (resid 15 and name QD) 3.0 0.6 0.5
!assign (resid 15 and name HB#) (resid 15 and name HG*) 3.3 0.6 0.5
!assign (resid 15 and name QD) (resid 15 and name HA) 3.6 0.6 0.6
!assign (resid 15 and name QD) (resid 15 and name QE) 3.2 0.6 0.5
!assign (resid 15 and name QD) (resid 15 and name HG*) 3.2 0.6 0.5
!assign (resid 15 and name HG*) (resid 13 and name HA) 5.0 0.5 0.5
!assign (resid 15 and name HG*) (resid 13 and name HB) 4.8 0.6 0.6
!assign (resid 15 and name HG*) (resid 15 and name HA) 3.4 0.6 0.6
!assign (resid 15 and name HG*) (resid 15 and name QD) 3.2 0.6 0.5
!assign (resid 15 and name HG*) (resid 15 and name QE) 2.8 0.5 0.6


!assign (resid 16 and name H) (resid 14 and name HB)    4.6 0.6 0.6
!assign (resid 16 and name H) (resid 14 and name HD1*)   4.5 0.6 0.6
!assign (resid 16 and name H) (resid 14 and name HG2*)   4.0 0.6 0.6
!assign (resid 16 and name H) (resid 15 and name HA)    3.1 0.6 0.6
!assign (resid 16 and name H) (resid 15 and name H)    3.0 0.6 0.5
!assign (resid 16 and name H) (resid 15 and name HG*)    3.2 0.6 0.6
assign (resid 16 and name H) (resid 16 and name HA)    3.0 0.5 0.5
assign (resid 16 and name H) (resid 16 and name HB3)   4.0 0.5 0.5
assign (resid 16 and name H) (resid 16 and name HB2)   3.3 0.5 0.5
assign (resid 16 and name H) (resid 19 and name H)    4.1 0.5 0.5
assign (resid 16 and name H) (resid 19 and name HB#)    3.1 1.5 1.5
assign (resid 16 and name HA) (resid 16 and name HB3) 2.3 0.5 0.5
assign (resid 16 and name HA) (resid 16 and name HB2) 2.4 0.5 0.5
assign (resid 16 and name HB3) (resid 16 and name HA) 2.3 0.5 0.5
assign (resid 16 and name HB2) (resid 16 and name HA) 2.4 0.5 0.5
assign (resid 16 and name HB3) (resid 18 and name HA) 5.0 0.5 0.5
assign (resid 16 and name HB3) (resid 19 and name HB#) 3.5 0.5 0.5

assign (resid 17 and name H) (resid 16 and name HA)    2.5 0.7 0.7
assign (resid 17 and name H) (resid 16 and name HB3)   3.3 0.6 0.5
assign (resid 17 and name H) (resid 16 and name HB2)   3.5 0.5 0.5
assign (resid 17 and name H) (resid 17 and name HB2)   2.5 0.5 0.5
assign (resid 17 and name H) (resid 17 and name HG)    4.5 0.5 0.5
assign (resid 17 and name H) (resid 17 and name HD*)   3.1 0.6 0.6
assign (resid 17 and name H) (resid 18 and name H)    3.1 0.6 0.6
assign (resid 17 and name H) (resid 19 and name HB#)    5.4 0.5 0.6
assign (resid 17 and name HA) (resid 17 and name HG) 3.1 0.5 0.5
assign (resid 17 and name HA) (resid 17 and name HD*) 2.1 0.3 3.1
assign (resid 17 and name HA) (resid 72 and name HB#) 4.5 1.5 1.5
assign (resid 17 and name HD*) (resid 17 and name HA) 2.1 0.3 3.1
assign (resid 17 and name HD*) (resid 17 and name HB2) 3.4 1.6 1.5
assign (resid 17 and name HD*) (resid 17 and name HG) 2.7 0.8 0.8
assign (resid 17 and name HD*) (resid 20 and name HB3) 4.7 0.5 1.3
assign (resid 17 and name HD*) (resid 20 and name HG) 4.7 0.5 1.3
assign (resid 17 and name HD*) (resid 71 and name HB#) 4.3 1.6 1.6
assign (resid 17 and name HD*) (resid 71 and name HG#) 5.1 0.5 0.9
assign (resid 17 and name HD*) (resid 72 and name HA) 4.5 4.0 0.5
assign (resid 17 and name HD*) (resid 75 and name HB2) 4.2 0.5 1.8

assign (resid 18 and name H) (resid 16 and name HA)    4.2 0.5 0.5
assign (resid 18 and name H) (resid 16 and name HB2)   4.5 0.5 0.5
assign (resid 18 and name H) (resid 17 and name HB2)   2.8 0.5 0.5 
assign (resid 18 and name H) (resid 17 and name HG)    3.8 0.5 0.5
assign (resid 18 and name H) (resid 17 and name H)    3.2 0.6 0.6
assign (resid 18 and name H) (resid 17 and name HD*)   4.8 1.0 1.2 
assign (resid 18 and name H) (resid 18 and name HA)    2.2 0.4 0.5
assign (resid 18 and name H) (resid 18 and name HG#)    3.0 1.2 1.2
assign (resid 18 and name H) (resid 19 and name HA)    5.0 0.8 0.5
assign (resid 18 and name H) (resid 19 and name H)    2.8 0.5 0.5
assign (resid 18 and name H) (resid 19 and name HB#)    5.0 0.5 0.5
assign (resid 18 and name HB2) (resid 18 and name HA) 2.5 0.5 0.5
assign (resid 18 and name HB#) (resid 18 and name HA) 2.7 0.7 0.7

assign (resid 19 and name H) (resid 14 and name HG2*)   4.8 0.5 0.8
assign (resid 19 and name H) (resid 16 and name HA)    5.0 0.5 0.5
assign (resid 19 and name H) (resid 18 and name HA)    3.3 0.6 0.5
assign (resid 19 and name H) (resid 18 and name H)    3.4 0.6 0.6
assign (resid 19 and name H) (resid 19 and name HA)    2.8 0.5 0.5
assign (resid 19 and name H) (resid 19 and name HB#)    2.5 0.6 0.5
assign (resid 19 and name H) (resid 19 and name HG#)    4.5 0.6 0.6
assign (resid 19 and name H) (resid 20 and name H)    3.3 0.6 0.5

assign (resid 20 and name H) (resid 14 and name HD1*)   4.5 0.5 1.5
assign (resid 20 and name H) (resid 14 and name HG2*)   3.9 0.9 0.9
assign (resid 20 and name H) (resid 17 and name HB2)   5.7 0.5 0.3
assign (resid 20 and name H) (resid 19 and name HA)    3.5 0.5 0.5
assign (resid 20 and name H) (resid 19 and name H)    3.3 0.6 0.5
assign (resid 20 and name H) (resid 19 and name HB#)    3.3 0.6 0.5
assign (resid 20 and name H) (resid 20 and name HA)    2.9 0.5 0.5
assign (resid 20 and name H) (resid 20 and name HB3)   2.5 0.5 0.5
assign (resid 20 and name H) (resid 20 and name HD2*)   4.9 0.5 1.1
assign (resid 20 and name H) (resid 21 and name H)    3.5 0.6 0.6
assign (resid 20 and name HA) (resid 20 and name HB3) 2.3 0.5 0.5
assign (resid 20 and name HA) (resid 20 and name HD1*) 2.9 1.2 1.2
assign (resid 20 and name HA) (resid 20 and name HD2*) 4.7 0.8 0.8
assign (resid 20 and name HG) (resid 20 and name HD1*) 3.0 1.0 1.0
assign (resid 20 and name HD2*) (resid 14 and name HB#) 5.2 0.5 0.8
assign (resid 20 and name HD2*) (resid 17 and name HG) 5.0 0.5 0.5
assign (resid 20 and name HD2*) (resid 20 and name HA) 4.7 0.8 0.8
assign (resid 20 and name HD2*) (resid 20 and name HB3) 3.2 1.1 1.1
assign (resid 20 and name HD2*) (resid 20 and name HB2) 3.0 1.1 1.1
assign (resid 20 and name HD2*) (resid 20 and name HG) 2.7 0.7 0.7
assign (resid 20 and name HD2*) (resid 24 and name HG2*) 5.0 0.5 0.5
assign (resid 20 and name HD2*) (resid 24 and name HG2*) 5.0 0.5 0.5
assign (resid 20 and name HD1*) (resid 32 and name HG12) 3.4 1.2 1.2
assign (resid 20 and name HD2*) (resid 32 and name HG12) 4.2 0.5 1.8
assign (resid 20 and name HD2*) (resid 32 and name HD*) 4.8 0.5 0.5
assign (resid 20 and name HD2*) (resid 32 and name HG2*) 3.8 0.5 2.2
assign (resid 20 and name HD2*) (resid 64 and name HG2*) 3.5 0.5 2.5
assign (resid 20 and name HD2*) (resid 72 and name HB#) 3.5 1.5 2.0

assign (resid 21 and name H) (resid 17 and name HD*)   5.0 0.5 0.5
assign (resid 21 and name H) (resid 20 and name HB2)   2.7 0.5 0.5
assign (resid 21 and name H) (resid 20 and name H)    2.8 0.5 0.5
assign (resid 21 and name H) (resid 20 and name HD1*)   5.0 0.6 1.0
assign (resid 21 and name H) (resid 21 and name HA)    2.8 0.5 0.5
assign (resid 21 and name H) (resid 21 and name HB#)    2.5 0.5 0.5
assign (resid 21 and name H) (resid 21 and name QD)    5.5 1.0 0.5
!assign (resid 21 and name HB3) (resid 17 and name HA) 5.0 0.5 0.5
assign (resid 21 and name HB#) (resid 21 and name HA) 2.6 0.8 0.8
assign (resid 21 and name HB#) (resid 21 and name QD) 3.2 1.2 1.1
assign (resid 21 and name HB#) (resid 22 and name HA) 4.3 0.5 1.7
assign (resid 21 and name QD) (resid 17 and name HG) 5.0 0.5 0.5
assign (resid 21 and name QD) (resid 21 and name HA) 4.5 0.8 0.7
assign (resid 21 and name QD) (resid 21 and name HB#) 3.2 1.2 1.1

assign (resid 22 and name H) (resid 21 and name HA)    3.6 0.5 0.5
assign (resid 22 and name H) (resid 21 and name H)    2.7 0.5 0.5
assign (resid 22 and name H) (resid 21 and name HB#)    3.4 1.2 1.1
assign (resid 22 and name H) (resid 21 and name HG#)    4.4 1.0 1.0
assign (resid 22 and name H) (resid 22 and name HA)    2.9 0.5 0.5
assign (resid 22 and name H) (resid 22 and name HB#)    3.0 1.1 1.1
assign (resid 22 and name H) (resid 23 and name HB#)    4.3 0.6 0.6
assign (resid 22 and name HA) (resid 1 and name HB#) 5.0 0.5 0.5
assign (resid 22 and name HA) (resid 22 and name HB#) 2.7 0.7 0.7
assign (resid 22 and name HA) (resid 25 and name HB#) 4.0 1.6 1.6

assign (resid 23 and name H) (resid 22 and name H)    2.7 0.5 0.5
assign (resid 23 and name H) (resid 23 and name HA)    2.9 0.5 0.5
assign (resid 23 and name H) (resid 23 and name HB#)    3.0 1.0 1.1

assign (resid 24 and name H) (resid 21 and name HA)    3.6 0.5 0.5
assign (resid 24 and name H) (resid 23 and name HA)    3.1 0.6 0.6
assign (resid 24 and name H) (resid 23 and name HB#)    3.6 0.6 0.6
assign (resid 24 and name H) (resid 24 and name HA)    2.9 0.5 0.5
assign (resid 24 and name H) (resid 24 and name HB)    3.6 0.5 0.5
assign (resid 24 and name H) (resid 24 and name HG2*)   3.0 1.2 1.2
assign (resid 24 and name H) (resid 25 and name H)    2.4 0.5 0.5
assign (resid 24 and name H) (resid 25 and name HB#)    5.0 0.8 0.7
assign (resid 24 and name HG2*) (resid 32 and name HA)    5.6 0.5 0.4

assign (resid 25 and name H) (resid 23 and name HB#)    4.7 0.5 1.3
assign (resid 25 and name H) (resid 24 and name HB)    4.1 0.5 0.5
assign (resid 25 and name H) (resid 24 and name H)    2.4 0.5 0.5
assign (resid 25 and name H) (resid 24 and name HG2*)   4.9 1.0 1.0
assign (resid 25 and name H) (resid 25 and name HB#)    3.0 1.0 1.0
assign (resid 25 and name H) (resid 26 and name H)    2.5 0.5 0.5
assign (resid 25 and name H) (resid 26 and name HB#)    4.7 0.5 1.3
assign (resid 25 and name HA) (resid 25 and name HB#) 2.6 0.8 0.8

assign (resid 26 and name H) (resid 25 and name HA)    3.5 0.5 0.5
assign (resid 26 and name H) (resid 25 and name H)    2.5 0.5 0.5
assign (resid 26 and name H) (resid 25 and name HB#)    3.8 1.0 1.0
assign (resid 26 and name H) (resid 26 and name HB#)    3.0 1.0 1.1
assign (resid 26 and name H) (resid 27 and name H)    4.6 0.5 0.5

assign (resid 27 and name H) (resid 26 and name HA)    2.3 0.5 0.5
assign (resid 27 and name H) (resid 27 and name HA)    2.9 0.5 0.5
assign (resid 27 and name H) (resid 27 and name HB3)   2.7 0.5 0.5
assign (resid 27 and name H) (resid 27 and name HB2)   3.6 0.5 0.5
assign (resid 27 and name H) (resid 28 and name H)    3.5 0.5 1.0
assign (resid 27 and name HA) (resid 27 and name HB3) 3.1 0.5 0.5
assign (resid 27 and name HA) (resid 27 and name HB2) 2.2 0.5 0.5
assign (resid 27 and name HB2) (resid 27 and name HA) 2.2 0.5 0.5

assign (resid 28 and name H) (resid 27 and name HA)    2.4 0.5 0.5
assign (resid 28 and name H) (resid 27 and name H)    3.5 0.5 0.5
assign (resid 28 and name H) (resid 28 and name HA)    3.0 0.5 0.5
assign (resid 28 and name H) (resid 28 and name QD)    4.9 1.0 0.9
assign (resid 28 and name H) (resid 28 and name HG#)    3.9 1.1 1.1
assign (resid 28 and name H) (resid 88 and name HA)    3.8 0.5 0.5
assign (resid 28 and name HA) (resid 28 and name HG#) 3.3 0.9 0.9
assign (resid 28 and name HA) (resid 29 and name HB) 4.7 0.5 0.5

assign (resid 29 and name H) (resid 28 and name HA)    2.3 0.5 0.6
assign (resid 29 and name H) (resid 29 and name HB)    2.5 0.5 1.0
assign (resid 29 and name H) (resid 29 and name HG2*)   4.6 0.7 0.6
assign (resid 29 and name HA) (resid 29 and name HG2*) 3.2 1.1 1.1
assign (resid 29 and name HA) (resid 88 and name HB#) 3.3 1.8 1.8
assign (resid 29 and name HB) (resid 29 and name HG2*) 2.7 0.7 0.7
assign (resid 29 and name HB) (resid 59 and name HG#) 2.5 0.5 3.1
assign (resid 29 and name HG2*) (resid 29 and name HA) 3.2 1.1 1.1
assign (resid 29 and name HG2*) (resid 29 and name HB) 2.7 0.7 0.7
assign (resid 29 and name HG2*) (resid 111 and name HB3) 4.5 0.5 1.5

assign (resid 30 and name H) (resid 28 and name HB#)    5.0 0.5 0.5
assign (resid 30 and name H) (resid 29 and name HA)    2.1 0.3 0.5
assign (resid 30 and name H) (resid 29 and name HB)    4.2 0.5 0.5
assign (resid 30 and name H) (resid 29 and name HG2*)   3.5 0.5 0.5
assign (resid 30 and name H) (resid 30 and name HA)    3.0 0.5 0.5
assign (resid 30 and name H) (resid 30 and name HG)    3.0 0.5 0.5
assign (resid 30 and name H) (resid 30 and name HB#)    2.8 0.6 0.6
assign (resid 30 and name H) (resid 88 and name HG#)    4.6 0.5 1.4

assign (resid 31 and name H) (resid 30 and name HG)    4.8 0.5 0.5
assign (resid 31 and name H) (resid 30 and name HB#)    3.1 0.6 0.6
assign (resid 31 and name H) (resid 31 and name HA)    3.0 0.5 0.5
assign (resid 31 and name H) (resid 31 and name HB)    2.6 0.5 0.5
!assign (resid 31 and name H) (resid 31 and name HG#)   3.9 1.6 1.0 !
assign (resid 31 and name H) (resid 60 and name H)    4.1 0.5 0.5
assign (resid 31 and name H) (resid 61 and name HB)    5.8 0.5 0.2
assign (resid 31 and name HB) (resid 61 and name HG1*) 4.4 0.5 0.5
assign (resid 31 and name HG#) (resid 31 and name HB) 2.7 0.8 0.8
assign (resid 31 and name HG#) (resid 86 and name HB) 4.7 0.5 1.3
assign (resid 31 and name HG#) (resid 108 and name HD*) 2.3 0.5 3.7

assign (resid 32 and name H) (resid 31 and name HA)    2.1 0.3 0.5
assign (resid 32 and name H) (resid 31 and name HG#)   3.4 0.5 2.5
assign (resid 32 and name H) (resid 32 and name HB)    2.5 0.5 0.5
assign (resid 32 and name H) (resid 32 and name HG13)  2.3 0.5 0.5
assign (resid 32 and name H) (resid 32 and name HG12)  3.8 0.5 0.5
assign (resid 32 and name H) (resid 31 and name H)    4.2 0.5 0.5
assign (resid 32 and name H) (resid 85 and name H)    3.1 0.5 1.5
assign (resid 32 and name H) (resid 86 and name HA)    3.6 0.5 1.5
assign (resid 32 and name H) (resid 87 and name HB3)    5.3 0.5 0.5
assign (resid 32 and name HG12) (resid 20 and name HG) 4.6 0.5 0.5
assign (resid 32 and name HG13) (resid 24 and name HG2*) 3.8 1.2 1.2
assign (resid 32 and name HG2*) (resid 64 and name HG2*) 3.3 1.6 1.6
assign (resid 32 and name HG2*) (resid 85 and name HB) 4.5 1.0 1.0
assign (resid 32 and name HG2*) (resid 85 and name HG#) 3.0 0.5 0.5
assign (resid 32 and name HG2*) (resid 14 and name HG1*) 3.9 0.5 2.1
!assign (resid 32 and name HG22) (resid 78 and name HG12) 5.4 0.5 0.6

assign (resid 33 and name H) (resid 31 and name HG#)   4.0 0.5 2.0
assign (resid 33 and name H) (resid 32 and name HA)    2.1 0.3 0.5
assign (resid 33 and name H) (resid 32 and name HD*)    4.0 0.5 2.0
assign (resid 33 and name H) (resid 33 and name HB)    2.6 0.5 0.5
assign (resid 33 and name H) (resid 33 and name HG1*)   4.6 0.7 0.7
assign (resid 33 and name H) (resid 33 and name HG2*)   3.4 1.2 1.2
assign (resid 33 and name H) (resid 63 and name HA)    3.0 0.5 0.5
assign (resid 33 and name HB) (resid 33 and name HG1*) 2.7 0.7 0.7
assign (resid 33 and name HG2*) (resid 32 and name HA) 3.5 0.5 0.5
assign (resid 33 and name HG2*) (resid 33 and name HB) 2.7 0.7 0.7
assign (resid 33 and name HG2*) (resid 35 and name HG2*) 5.0 0.5 0.5
assign (resid 33 and name HG2*) (resid 61 and name HG1*) 4.8 0.5 1.2
assign (resid 33 and name HG2*) (resid 63 and name HB#) 4.9 0.5 1.1
assign (resid 33 and name HA) (resid 35 and name HG2*) 4.2 0.5 1.8
assign (resid 33 and name HG1*) (resid 63 and name HB#) 4.8 0.5 1.2

assign (resid 34 and name H) (resid 33 and name HA)    2.1 0.3 0.5
assign (resid 34 and name H) (resid 33 and name HB)    4.4 0.5 0.5
assign (resid 34 and name H) (resid 33 and name HG1*)   4.3 1.6 1.5
assign (resid 34 and name H) (resid 33 and name HG2*)   4.6 0.5 1.4
assign (resid 34 and name H) (resid 34 and name HA)    3.0 0.5 0.5
assign (resid 34 and name H) (resid 34 and name HB3)   2.4 0.5 1.0 !
assign (resid 34 and name H) (resid 34 and name HB2)   3.6 0.5 0.5 
assign (resid 34 and name H) (resid 35 and name H)    4.5 0.5 0.5
assign (resid 34 and name H) (resid 83 and name H)    3.1 0.5 0.5
assign (resid 34 and name H) (resid 64 and name H)    4.7 0.5 0.5
assign (resid 34 and name H) (resid 64 and name HB)    4.5 0.5 0.5
assign (resid 34 and name H) (resid 83 and name HG2*)   5.0 0.5 0.8
assign (resid 34 and name HA) (resid 64 and name HB) 2.6 0.5 0.5
assign (resid 34 and name HB2) (resid 73 and name HG2) 4.6 0.5 0.5


assign (resid 35 and name H) (resid 63 and name HA)    5.8 0.5 0.2
assign (resid 35 and name H) (resid 34 and name HA)    2.1 0.3 0.5
assign (resid 35 and name H) (resid 34 and name HB3)   4.2 0.5 0.5
assign (resid 35 and name H) (resid 35 and name HG2*)   3.9 1.2 1.2
assign (resid 35 and name H) (resid 65 and name HA)    3.1 0.5 0.5
assign (resid 35 and name H) (resid 66 and name HG2*)   3.0 1.2 1.7
assign (resid 35 and name H) (resid 81 and name HG1*)   4.4 0.5 1.6
assign (resid 35 and name HG2*) (resid 33 and name HG2*) 5.0 0.5 0.5
assign (resid 35 and name HG2*) (resid 33 and name HG2*) 5.0 0.5 0.5
assign (resid 35 and name HB) (resid 35 and name HA) 2.4 0.5 0.5
assign (resid 35 and name HB) (resid 35 and name HG2*) 2.7 0.7 0.7
assign (resid 35 and name HB) (resid 46 and name HG3*) 5.8 0.5 0.2
assign (resid 35 and name HG2*) (resid 35 and name HA) 3.2 1.1 1.1
assign (resid 35 and name HG2*) (resid 35 and name HB) 2.7 0.7 0.7
assign (resid 35 and name HG2*) (resid 45 and name HG13) 5.9 0.5 0.1
assign (resid 35 and name HG2*) (resid 49 and name HD#) 4.7 0.5 1.3

assign (resid 36 and name H) (resid 81 and name HG#)   4.5 1.0 1.5
assign (resid 36 and name H) (resid 35 and name HB)    3.5 0.5 0.5
assign (resid 36 and name H) (resid 35 and name HG2*)   3.5 0.5 0.5
assign (resid 36 and name H) (resid 36 and name HB#)    3.2 0.7 0.7
assign (resid 36 and name H) (resid 81 and name HB)    3.9 0.5 1.0

assign (resid 37 and name HA) (resid 37 and name HB3) 3.1 1.0 1.0
assign (resid 37 and name HA) (resid 37 and name HB2) 2.4 0.5 0.5
assign (resid 37 and name HB2) (resid 37 and name HA) 2.4 0.5 0.5

assign (resid 38 and name H) (resid 37 and name HA)    3.5 1.0 0.5
assign (resid 38 and name H) (resid 38 and name HA)    3.0 0.5 0.5
assign (resid 38 and name H) (resid 38 and name HB3)   2.6 0.5 0.5
assign (resid 38 and name H) (resid 38 and name HB2)   3.6 0.5 0.5
assign (resid 38 and name H) (resid 39 and name H)    3.2 0.5 0.5
assign (resid 38 and name HA) (resid 38 and name HB3) 3.1 0.5 0.5

assign (resid 39 and name H) (resid 42 and name HB#)    4.4 1.2 1.1
assign (resid 39 and name H) (resid 38 and name HA)    2.6 0.5 0.5
assign (resid 39 and name HB#) (resid 37 and name HA)    5.0 0.5 1.0

assign (resid 40 and name H) (resid 38 and name HA)    5.5 0.5 0.5
assign (resid 40 and name H) (resid 40 and name HB#)    2.5 0.6 0.5
assign (resid 40 and name H) (resid 41 and name HG#)    5.0 0.5 0.5
assign (resid 40 and name H) (resid 42 and name HB#)    5.0 0.5 1.0

assign (resid 41 and name H) (resid 39 and name HB#)    5.3 0.5 0.7
assign (resid 41 and name H) (resid 41 and name HA)    2.9 0.5 0.5
assign (resid 41 and name H) (resid 41 and name HE)    5.1 0.5 0.5
assign (resid 41 and name H) (resid 41 and name HB#)    3.0 1.0 1.1
assign (resid 41 and name H) (resid 41 and name HG#)    3.3 0.9 0.8

assign (resid 44 and name H) (resid 43 and name HA)    3.6 0.5 0.5
assign (resid 44 and name H) (resid 43 and name HB#)    3.4 1.1 1.1
assign (resid 44 and name H) (resid 43 and name QD)    5.1 0.5 0.9
assign (resid 44 and name H) (resid 44 and name HA)    2.9 0.5 0.5
assign (resid 44 and name H) (resid 44 and name HG2)   2.3 0.5 0.5
assign (resid 44 and name H) (resid 44 and name HB#)    3.0 1.1 1.1
assign (resid 44 and name H) (resid 45 and name HG2*)   4.3 0.5 1.7
assign (resid 44 and name HA) (resid 44 and name HG#) 2.8 0.7 0.7

assign (resid 45 and name H) (resid 44 and name HB#)    2.8 0.7 0.6
assign (resid 45 and name H) (resid 45 and name HA)    3.0 0.5 0.5
assign (resid 45 and name H) (resid 45 and name HG13)  2.0 0.2 0.5
assign (resid 45 and name H) (resid 45 and name HG12)  3.0 0.5 0.5
assign (resid 45 and name H) (resid 45 and name HG2*)   3.1 1.2 1.2
assign (resid 45 and name HB) (resid 45 and name HA) 2.5 0.5 0.5
assign (resid 45 and name HB) (resid 45 and name HG13) 3.0 0.5 0.5
assign (resid 45 and name HB) (resid 45 and name HG2*) 2.7 0.7 0.7
assign (resid 45 and name HG12) (resid 82 and name HB2) 4.9 0.5 0.5
assign (resid 45 and name HG13) (resid 101 and name HG1*) 4.3 1.0 1.0
assign (resid 45 and name HG2*) (resid 45 and name HA) 3.2 1.1 1.1
assign (resid 45 and name HG2*) (resid 45 and name HB) 2.7 0.7 0.7
assign (resid 45 and name HG2*) (resid 99 and name HB3) 5.0 0.5 0.5
assign (resid 45 and name HG2*) (resid 101 and name HB) 4.4 0.5 1.6
assign (resid 45 and name HG2*) (resid 101 and name HD1*) 4.0 0.5 2.0
assign (resid 45 and name HG2*) (resid 101 and name HG1*) 3.0 0.5 2.5

assign (resid 46 and name H) (resid 45 and name HB)    4.4 0.5 0.5
assign (resid 46 and name H) (resid 45 and name HG2*)   4.8 0.5 1.2 
assign (resid 46 and name H) (resid 45 and name HG1*)   3.5 0.7 0.7 
assign (resid 46 and name H) (resid 46 and name HB3)   2.4 0.5 1.0 !
assign (resid 46 and name H) (resid 46 and name HG2)   2.3 0.5 1.0 !
assign (resid 46 and name HE2) (resid 43 and name HA) 2.0 0.2 0.5
assign (resid 46 and name HE2) (resid 46 and name HB2) 4.7 0.5 0.5
assign (resid 46 and name HE2) (resid 46 and name HG2) 2.5 0.5 0.5
assign (resid 46 and name HG2) (resid 42 and name HB#) 4.9 0.5 1.1
assign (resid 46 and name HG2) (resid 43 and name HB#) 4.2 1.0 1.0
assign (resid 46 and name HG2) (resid 44 and name HA) 5.3 0.5 0.5
assign (resid 46 and name HG2) (resid 46 and name QD) 2.7 0.7 0.7


assign (resid 47 and name H) (resid 46 and name HB3)   2.4 0.5 1.0 !
assign (resid 47 and name H) (resid 47 and name HA)    2.9 0.5 0.5
assign (resid 47 and name H) (resid 47 and name HB#)    2.5 0.5 0.5
assign (resid 47 and name H) (resid 47 and name HG#)    4.4 0.5 0.6

assign (resid 48 and name H) (resid 48 and name QD)    4.4 0.9 0.9
assign (resid 48 and name HA) (resid 51 and name HG#) 4.4 1.2 1.2
assign (resid 48 and name HA) (resid 52 and name HB2) 5.0 0.5 0.5

assign (resid 49 and name H) (resid 49 and name HA)    2.9 0.5 0.5
assign (resid 49 and name H) (resid 49 and name HB3)   2.5 0.5 0.5
assign (resid 49 and name H) (resid 49 and name HB2)   2.4 0.5 0.5
assign (resid 49 and name H) (resid 49 and name HD*)   4.7 1.0 1.3
assign (resid 49 and name H) (resid 50 and name HA)    5.3 0.5 0.5
assign (resid 49 and name H) (resid 50 and name H)    2.7 0.5 0.6
assign (resid 49 and name H) (resid 48 and name H)    3.0 0.5 0.5
assign (resid 49 and name HA) (resid 49 and name HB3) 2.3 0.5 1.0
assign (resid 49 and name HA) (resid 49 and name HB2) 3.1 0.5 0.5 
assign (resid 49 and name HA) (resid 49 and name HG) 3.2 0.5 0.5
assign (resid 49 and name HA) (resid 49 and name HD*) 3.5 1.9 1.9
assign (resid 49 and name HA) (resid 52 and name HB2) 2.6 0.5 0.5
assign (resid 49 and name HA) (resid 52 and name HD*) 3.8 0.5 2.2
assign (resid 49 and name HA) (resid 104 and name HD23) 4.8 0.5 0.5
assign (resid 49 and name HD*) (resid 49 and name HA)     3.5 1.9 1.9
assign (resid 49 and name HD*) (resid 49 and name HB2)    3.4 1.5 1.5
assign (resid 49 and name HD*) (resid 52 and name HB2)    2.5 0.5 3.5
assign (resid 49 and name HD*) (resid 52 and name HG)     5.2 0.5 0.7
assign (resid 49 and name HD*) (resid 53 and name HB#)     4.4 0.5 1.6
assign (resid 49 and name HD13) (resid 101 and name HG12)   4.8 0.5 0.5

assign (resid 50 and name H) (resid 48 and name H)    4.5 0.5 0.5
assign (resid 50 and name H) (resid 49 and name HG)    3.7 0.5 0.5
assign (resid 50 and name H) (resid 49 and name H)    2.7 0.5 0.5
assign (resid 50 and name H) (resid 49 and name HD*)   4.7 0.5 1.3
assign (resid 50 and name H) (resid 50 and name HA)    2.8 0.5 0.5
assign (resid 50 and name H) (resid 50 and name HB#)    3.0 1.1 1.1
assign (resid 50 and name H) (resid 50 and name HG#)    3.0 1.2 1.2
assign (resid 50 and name H) (resid 51 and name H)    3.3 0.6 0.5
assign (resid 50 and name HA) (resid 49 and name HG)      3.9 0.5 0.5
assign (resid 50 and name HA) (resid 50 and name HG#)      2.7 0.7 0.7
assign (resid 50 and name HA) (resid 53 and name HB#)      3.8 1.2 1.2

assign (resid 51 and name H) (resid 50 and name HA)    3.6 0.5 0.5
assign (resid 51 and name H) (resid 51 and name HA)    2.9 0.5 0.5
assign (resid 51 and name H) (resid 51 and name HB#)    3.0 1.2 1.2
assign (resid 51 and name H) (resid 51 and name QD)    4.5 0.9 0.9
assign (resid 51 and name H) (resid 51 and name HG#)    3.0 1.0 1.0
assign (resid 51 and name QD) (resid 51 and name HA)      4.5 0.6 0.7
assign (resid 51 and name QD) (resid 51 and name HB#)      2.8 0.8 0.8
assign (resid 51 and name QD) (resid 51 and name QE)      2.7 0.7 0.7

assign (resid 52 and name H) (resid 52 and name HA)    2.9 0.5 0.5
assign (resid 52 and name H) (resid 52 and name HB3)   2.2 0.4 0.5
assign (resid 52 and name H) (resid 52 and name HB2)   2.6 0.5 0.5
assign (resid 52 and name H) (resid 52 and name HD1*)   4.7 0.5 1.3
assign (resid 52 and name H) (resid 52 and name HD2*)   4.7 0.5 1.3
assign (resid 52 and name H) (resid 53 and name H)    2.8 0.5 0.5
assign (resid 52 and name HB3) (resid 49 and name HA)     3.1 0.5 0.5
assign (resid 52 and name HB2) (resid 49 and name HA)     2.5 0.5 0.5
assign (resid 52 and name HB2) (resid 52 and name HD1*)    3.2 0.9 0.9
assign (resid 52 and name HB3) (resid 101 and name HD12)   4.4 0.5 1.0 !
assign (resid 52 and name HD1*) (resid 49 and name HB3)    5.1 0.5 0.9
assign (resid 52 and name HD*) (resid 49 and name HB3)    5.1 0.5 0.9
assign (resid 52 and name HD1*) (resid 52 and name HA)     4.6 1.3 0.8 !
assign (resid 52 and name HD1*) (resid 52 and name HB3)    3.1 1.1 1.1
assign (resid 52 and name HD2*) (resid 52 and name HG)     2.7 0.7 0.7
assign (resid 52 and name HD2*) (resid 55 and name HB3)    4.3 0.5 1.7
assign (resid 52 and name HD2*) (resid 56 and name HB2)    4.6 1.0 1.0
assign (resid 52 and name HD1*) (resid 56 and name QD)     3.5 0.5 2.5
assign (resid 52 and name HD1*) (resid 101 and name HA)    4.4 1.4 1.4
assign (resid 52 and name HD1*) (resid 104 and name HG)    3.0 1.2 1.1
assign (resid 52 and name HD1*) (resid 104 and name HD1*)   4.6 0.5 1.4
assign (resid 52 and name HD*) (resid 104 and name HD1*)   4.6 0.5 1.4
assign (resid 52 and name HD1*) (resid 108 and name HB2)   5.5 0.5 0.5
assign (resid 52 and name HD*) (resid 108 and name HB2)   4.6 0.5 1.4
assign (resid 52 and name HD*) (resid 108 and name HD*)   2.2 0.4 3.8

assign (resid 53 and name H) (resid 52 and name HA)    3.6 0.5 0.5
assign (resid 53 and name H) (resid 52 and name HB#)    3.3 1.0 1.0
assign (resid 53 and name H) (resid 52 and name HD*)   3.8 0.5 2.2
assign (resid 53 and name H) (resid 53 and name HA)    2.9 0.5 0.5
assign (resid 53 and name H) (resid 53 and name HB#)    2.7 0.7 0.7
assign (resid 53 and name H) (resid 54 and name H)    3.4 0.6 0.6
assign (resid 53 and name H) (resid 55 and name H)    4.1 0.5 0.5
assign (resid 53 and name HA) (resid 53 and name HB#)      2.7 0.7 0.7
assign (resid 53 and name HB#) (resid 50 and name HA)      3.8 1.2 1.2
assign (resid 53 and name HB#) (resid 53 and name HA)      2.7 0.7 0.7
assign (resid 53 and name HB#) (resid 61 and name HG1*)     4.4 1.8 1.6
!assign (resid 53 and name HB#) (resid 9 and name HB3)      4.0 0.5 2.0

assign (resid 54 and name H) (resid 51 and name HA)    3.5 0.5 0.5
assign (resid 54 and name H) (resid 52 and name HB2)   5.0 0.5 0.5
assign (resid 54 and name H) (resid 53 and name H)    2.7 0.5 0.5
assign (resid 54 and name H) (resid 53 and name HB#)    3.4 1.2 1.2
assign (resid 54 and name H) (resid 54 and name HA)    2.9 0.5 0.5
assign (resid 54 and name H) (resid 54 and name HB2)   3.6 1.0 0.5 !
assign (resid 54 and name H) (resid 54 and name HG#)    3.3 1.0 0.9
assign (resid 54 and name H) (resid 55 and name H)    2.7 0.5 0.5
assign (resid 54 and name H) (resid 56 and name H)    4.1 0.5 0.5
assign (resid 54 and name HA) (resid 54 and name HG#)      2.7 0.6 0.7
assign (resid 54 and name HG#) (resid 54 and name HB2)     2.7 0.7 0.7

assign (resid 55 and name H) (resid 52 and name HA)    3.5 0.5 0.5
assign (resid 55 and name H) (resid 54 and name HB2)   3.6 0.5 0.5
assign (resid 55 and name H) (resid 54 and name H)    2.7 0.5 0.5
assign (resid 55 and name H) (resid 54 and name HG#)    4.8 0.9 0.9
assign (resid 55 and name H) (resid 55 and name HA)    3.0 0.5 0.5
assign (resid 55 and name H) (resid 55 and name HB3)   2.3 0.5 0.5
assign (resid 55 and name H) (resid 55 and name HB2)   3.6 0.5 0.5 
assign (resid 55 and name H) (resid 56 and name H)    3.3 0.6 0.5
assign (resid 55 and name HB3) (resid 55 and name HA)     3.1 0.5 0.5

assign (resid 56 and name HA) (resid 56 and name HB2)     2.5 0.5 0.5
assign (resid 56 and name HA) (resid 57 and name QD)      2.8 1.0 1.0
assign (resid 56 and name H) (resid 52 and name HA)    4.1 0.5 0.5
assign (resid 56 and name H) (resid 52 and name HD2*)   4.4 1.3 1.3
assign (resid 56 and name H) (resid 55 and name HA)    3.1 0.6 0.6
assign (resid 56 and name H) (resid 55 and name HB3)   3.2 0.5 0.5
assign (resid 56 and name H) (resid 55 and name HB2)   4.0 0.5 0.5
assign (resid 56 and name H) (resid 55 and name H)    3.3 0.6 0.5
assign (resid 56 and name H) (resid 56 and name HA)    3.0 0.5 0.5 
assign (resid 56 and name H) (resid 56 and name HB3)   2.7 0.5 0.5
assign (resid 56 and name H) (resid 56 and name HB2)   3.8 0.5 0.5
assign (resid 56 and name H) (resid 56 and name QD)    4.2 0.8 0.8
assign (resid 56 and name H) (resid 57 and name QD)    3.5 0.9 0.9

assign (resid 57 and name HA) (resid 57 and name HB3)     2.8 0.5 0.5
assign (resid 57 and name HA) (resid 57 and name HB2)     2.4 0.5 0.5
assign (resid 57 and name HB2) (resid 57 and name HA)     2.4 0.5 0.5

assign (resid 58 and name H) (resid 56 and name HA)    3.4 0.5 0.5
assign (resid 58 and name H) (resid 57 and name HA)    3.5 0.5 0.5
assign (resid 58 and name H) (resid 57 and name QD)    3.5 1.0 1.1
assign (resid 58 and name H) (resid 57 and name HG#)    3.7 1.3 1.2
assign (resid 58 and name H) (resid 58 and name HA)    3.0 0.5 0.5 
assign (resid 58 and name H) (resid 58 and name HB3)   2.5 0.5 0.5
assign (resid 58 and name H) (resid 58 and name HB2)   3.6 0.5 0.5
assign (resid 58 and name H) (resid 59 and name H)    2.5 0.5 0.5
assign (resid 58 and name H) (resid 59 and name HG#)   3.9 0.5 2.1
assign (resid 58 and name HA) (resid 58 and name HB3)     3.1 0.5 0.5
assign (resid 58 and name HA) (resid 58 and name HB2)     2.4 0.5 0.5

assign (resid 59 and name H) (resid 58 and name HB2)   4.1 0.5 0.5
assign (resid 59 and name H) (resid 58 and name H)    2.5 0.5 0.5
assign (resid 59 and name H) (resid 59 and name HA)    3.0 0.5 0.5
assign (resid 59 and name H) (resid 59 and name HB)    2.6 0.5 0.5
assign (resid 59 and name H) (resid 59 and name HG#)   3.8 1.6 1.5
assign (resid 59 and name HB) (resid 29 and name HG2*)     4.8 0.5 1.2
assign (resid 59 and name HB) (resid 59 and name HG#)     2.7 0.7 0.7

assign (resid 60 and name H) (resid 29 and name HB)    4.4 0.5 0.5
assign (resid 60 and name H) (resid 29 and name HG2*)   4.4 0.5 1.6
assign (resid 60 and name H) (resid 59 and name HA)    2.1 0.3 0.5
assign (resid 60 and name H) (resid 59 and name HB)    4.1 0.5 0.5
assign (resid 60 and name H) (resid 60 and name HA)    3.0 0.5 0.5
assign (resid 60 and name H) (resid 60 and name HB2)   3.6 0.5 0.5
assign (resid 60 and name H) (resid 31 and name H)    4.1 0.5 0.5
assign (resid 60 and name H) (resid 30 and name HG)    4.1 0.5 0.5
assign (resid 60 and name HA) (resid 60 and name HB2)     2.4 0.5 0.5

assign (resid 61 and name H) (resid 60 and name HA)    2.1 0.3 0.5
assign (resid 61 and name H) (resid 60 and name HB3)   4.2 0.5 0.5
assign (resid 61 and name H) (resid 61 and name HB)    2.7 0.5 0.5
assign (resid 61 and name H) (resid 61 and name HG1*)   3.4 1.2 1.2
assign (resid 61 and name HG2*) (resid 33 and name HG2*) 3.4 1.5 2.0
assign (resid 61 and name HG1*) (resid 31 and name HB)     4.4 0.5 0.5
assign (resid 61 and name HG1*) (resid 33 and name HG2*)    4.8 0.5 1.2
assign (resid 61 and name HG1*) (resid 53 and name HB#)     5.0 0.5 0.5
assign (resid 61 and name HG1*) (resid 53 and name HB#)     5.0 0.5 0.5
assign (resid 61 and name HG1*) (resid 53 and name HB#)     5.0 0.5 0.5
assign (resid 61 and name HG1*) (resid 49 and name HA)     5.8 0.5 0.2

assign (resid 62 and name H) (resid 32 and name HG13)  5.2 0.5 0.5
assign (resid 62 and name H) (resid 61 and name HA)    2.1 0.3 0.5
assign (resid 62 and name H) (resid 62 and name HB3)   2.5 0.5 0.5
assign (resid 62 and name H) (resid 62 and name HB2)   3.7 0.5 0.5
assign (resid 62 and name H) (resid 62 and name HA)    3.0 0.5 0.5
assign (resid 62 and name H) (resid 32 and name HA)    3.1 0.5 2.0
assign (resid 62 and name H) (resid 33 and name H)    3.7 0.5 1.0 !

assign (resid 63 and name H) (resid 13 and name HA)    3.1 0.5 0.5
assign (resid 63 and name H) (resid 63 and name HA)    2.9 0.5 0.5
assign (resid 63 and name H) (resid 62 and name HA)    2.2 0.4 0.5
assign (resid 63 and name H) (resid 63 and name HB#)    2.6 0.7 0.6
assign (resid 63 and name HG) (resid 63 and name HB#) 2.7 0.7 0.7
assign (resid 63 and name HA) (resid 35 and name HG2*)     4.7 0.5 1.3

assign (resid 64 and name H) (resid 63 and name HA)    2.1 0.3 0.5
assign (resid 64 and name H) (resid 64 and name HA)    3.0 0.5 0.5
assign (resid 64 and name H) (resid 64 and name HB)    2.6 0.5 0.5
assign (resid 64 and name H) (resid 64 and name HG2*)   3.4 1.2 1.2
assign (resid 64 and name H) (resid 32 and name HG2*)   4.9 1.0 1.1
assign (resid 64 and name H) (resid 33 and name HB)    3.6 0.5 0.5
assign (resid 64 and name HB) (resid 64 and name HG1*)     2.7 0.5 0.5
assign (resid 64 and name HG2*) (resid 20 and name HD1*)    4.0 2.0 2.0
assign (resid 64 and name HG2*) (resid 32 and name HG12)   3.6 0.8 0.8
assign (resid 64 and name HG2*) (resid 32 and name HD*)     5.0 0.5 0.5
assign (resid 64 and name HG1*) (resid 64 and name HA)     3.1 1.1 1.1
assign (resid 64 and name HG2*) (resid 64 and name HA)     3.1 1.1 1.1
assign (resid 64 and name HG2*) (resid 64 and name HB)     2.7 0.8 0.8
assign (resid 64 and name HG2*) (resid 14 and name HB#)     3.5 1.8 1.8

assign (resid 65 and name H) (resid 64 and name HA)    2.9 0.6 0.6
assign (resid 65 and name H) (resid 64 and name HB)    4.4 0.6 0.6
assign (resid 65 and name H) (resid 64 and name HG1*)   3.0 0.6 0.6
assign (resid 65 and name H) (resid 64 and name HG2*)   3.4 0.6 0.6
assign (resid 65 and name H) (resid 65 and name HA)    2.9 0.5 0.5
assign (resid 65 and name H) (resid 65 and name HB3)   2.5 0.5 1.0 !
assign (resid 65 and name H) (resid 64 and name H)    4.1 0.5 0.5
assign (resid 65 and name HB2) (resid 65 and name HA) 2.5 0.5 0.5
assign (resid 65 and name HB2) (resid 65 and name HB3) 2.5 0.7 0.5
assign (resid 65 and name HB2) (resid 65 and name HA) 2.5 0.5 0.5
assign (resid 65 and name HB2) (resid 65 and name HB3) 2.5 0.7 0.5
assign (resid 65 and name HA) (resid 37 and name HD2)      4.2 0.7 0.7
assign (resid 65 and name HA) (resid 65 and name HB3)     2.6 0.5 0.5
!assign (resid 65 and name HA) (resid 65 and name HB2)     2.9 0.5 0.5
assign (resid 65 and name H) (resid 14 and name HG2*)   5.8 0.5 0.2
assign (resid 65 and name H) (resid 65 and name HB2)   2.5 0.5 1.0 !

assign (resid 66 and name H) (resid 65 and name HA)    2.1 0.3 0.5
assign (resid 66 and name H) (resid 66 and name HB)    3.7 0.5 0.5
assign (resid 66 and name H) (resid 66 and name HG2*)   2.9 1.2 1.3
assign (resid 66 and name HG2*) (resid 34 and name HB3)    4.6 0.7 0.6
assign (resid 66 and name HG2*) (resid 64 and name HG1*)    4.0 0.5 2.0
assign (resid 66 and name HG2*) (resid 66 and name HA)     3.1 1.1 1.1
assign (resid 66 and name HG2*) (resid 66 and name HB)     2.7 0.7 0.7
assign (resid 66 and name HG2*) (resid 78 and name HB)     4.8 0.5 1.2
assign (resid 66 and name HG2*) (resid 81 and name HG#)    2.3 0.5 3.7

assign (resid 67 and name H) (resid 65 and name HA)    3.9 0.5 0.5
assign (resid 67 and name H) (resid 65 and name HB3)   5.0 1.0 0.5
assign (resid 67 and name H) (resid 66 and name HG2*)   4.4 0.4 1.6
assign (resid 67 and name H) (resid 67 and name HA)    2.9 0.5 0.5
assign (resid 67 and name H) (resid 67 and name HB3)   2.7 0.5 0.5
assign (resid 67 and name H) (resid 67 and name HB2)   2.4 0.5 0.5
assign (resid 67 and name H) (resid 68 and name H)    2.5 0.5 0.5
assign (resid 67 and name H) (resid 68 and name HG2*)   4.2 0.5 1.8
assign (resid 67 and name H) (resid 69 and name H)    3.9 0.5 0.5
assign (resid 67 and name HB3) (resid 67 and name HA)     3.4 0.6 0.6

assign (resid 68 and name H) (resid 65 and name HB3)   4.8 0.6 0.6
assign (resid 68 and name H) (resid 65 and name HB2)   3.1 0.5 0.5
assign (resid 68 and name H) (resid 67 and name H)    2.5 0.5 0.5
assign (resid 68 and name H) (resid 68 and name HB)    3.7 0.5 0.5
assign (resid 68 and name H) (resid 68 and name HG2*)   3.2 1.2 1.2
assign (resid 68 and name H) (resid 69 and name HA)    5.1 0.5 0.5
assign (resid 68 and name H) (resid 69 and name H)    2.4 0.5 0.5
assign (resid 68 and name H) (resid 70 and name QD)    4.7 1.1 1.1

assign (resid 69 and name H) (resid 64 and name HG1*)   4.7 0.5 1.3
assign (resid 69 and name H) (resid 66 and name HB)    5.0 0.5 0.5
assign (resid 69 and name H) (resid 67 and name HB2)   5.0 0.5 0.5
assign (resid 69 and name H) (resid 67 and name H)    3.6 0.6 0.6
assign (resid 69 and name H) (resid 68 and name HB)    4.2 0.5 0.5
assign (resid 69 and name H) (resid 68 and name H)    2.4 0.5 0.5
assign (resid 69 and name H) (resid 68 and name HG2*)   4.6 0.5 1.4
assign (resid 69 and name H) (resid 69 and name HB3)   3.0 0.5 0.5
assign (resid 69 and name H) (resid 69 and name HB2)   3.8 0.5 0.5
assign (resid 69 and name H) (resid 70 and name HG#)    5.0 0.5 0.5
assign (resid 69 and name HB3) (resid 64 and name HG1*)    2.8 0.9 1.0
assign (resid 69 and name HB2) (resid 64 and name HG1*)    3.8 1.4 1.4
assign (resid 69 and name HB3) (resid 72 and name HB#)     4.0 1.8 1.8
assign (resid 69 and name HB2) (resid 72 and name HB#)     3.5 1.8 1.8

assign (resid 70 and name HA) (resid 70 and name HB3)     2.8 0.5 0.5
assign (resid 70 and name HA) (resid 70 and name HB2)     2.3 0.5 0.5
assign (resid 70 and name HA) (resid 73 and name HB#)      3.0 0.8 0.8
assign (resid 70 and name HB3) (resid 70 and name HA)     2.8 0.5 0.5
assign (resid 70 and name HG#) (resid 70 and name HB2)     2.7 0.8 0.8
assign (resid 70 and name HG#) (resid 70 and name QD)      2.7 0.7 0.7

assign (resid 71 and name H) (resid 70 and name HB3)   4.5 0.5 0.5
assign (resid 71 and name H) (resid 71 and name HA)    2.9 0.5 0.5
assign (resid 71 and name H) (resid 71 and name HG#)    2.5 0.5 0.6
assign (resid 71 and name H) (resid 72 and name H)    2.7 0.5 0.5
assign (resid 71 and name H) (resid 72 and name HB#)    4.9 1.5 1.1 !
assign (resid 71 and name H) (resid 70 and name HD#)    3.5 0.9 0.9
assign (resid 71 and name HG#) (resid 71 and name HA)      2.8 0.7 0.7

assign (resid 72 and name H) (resid 17 and name HD*)   4.1 0.5 1.9
assign (resid 72 and name H) (resid 69 and name HB2)   3.1 0.5 0.5
assign (resid 72 and name H) (resid 71 and name H)    2.7 0.5 0.5
assign (resid 72 and name H) (resid 71 and name HB#)    3.3 0.9 0.9
assign (resid 72 and name H) (resid 71 and name HG#)    4.9 1.0 1.0
assign (resid 72 and name H) (resid 72 and name HA)    2.9 0.5 0.5
assign (resid 72 and name H) (resid 72 and name HB#)    2.7 0.7 0.7
assign (resid 72 and name H) (resid 73 and name H)    2.6 0.5 0.5
assign (resid 72 and name HB#) (resid 64 and name HG1*)     5.0 0.5 0.5
assign (resid 72 and name HB#) (resid 69 and name HB3)     4.0 1.8 1.8

assign (resid 73 and name H) (resid 74 and name H)    2.7 0.9 0.5
assign (resid 73 and name QD) (resid 73 and name HG#)      2.6 0.7 0.7
assign (resid 73 and name HD2) (resid 79 and name HA)      4.7 0.5 0.5
assign (resid 73 and name HG#) (resid 73 and name QD)      2.6 0.7 0.7

assign (resid 74 and name H) (resid 73 and name HA)    3.3 0.6 0.5
assign (resid 74 and name H) (resid 73 and name H)    2.9 0.5 0.5
assign (resid 74 and name H) (resid 74 and name HA)    2.9 0.5 0.5
assign (resid 74 and name H) (resid 74 and name HB#)    3.0 1.2 1.2
assign (resid 74 and name H) (resid 75 and name HB3)   5.0 0.5 0.5
assign (resid 74 and name H) (resid 78 and name HB)    5.6 0.5 0.4
assign (resid 74 and name HA) (resid 74 and name HB#)      2.6 0.7 0.7
assign (resid 74 and name HA) (resid 74 and name HG#)      2.7 0.7 0.7
assign (resid 74 and name HG#) (resid 74 and name HA)      2.7 0.7 0.7

assign (resid 75 and name H) (resid 74 and name HA)    3.3 0.6 0.5
assign (resid 75 and name H) (resid 74 and name H)    3.3 0.6 0.5
assign (resid 75 and name H) (resid 74 and name HB#)    2.5 0.7 0.6
assign (resid 75 and name H) (resid 74 and name HG#)    4.9 0.9 0.9
assign (resid 75 and name H) (resid 75 and name HB3)   2.5 0.5 0.5
assign (resid 75 and name H) (resid 75 and name HB2)   2.7 0.5 0.5
assign (resid 75 and name H) (resid 75 and name HD*)    4.6 0.5 0.5
assign (resid 75 and name H) (resid 76 and name H)    2.7 0.5 0.5
assign (resid 75 and name HA) (resid 75 and name HB3)     2.5 0.5 0.5
assign (resid 75 and name HA) (resid 75 and name HB2)     3.0 0.6 0.5

assign (resid 76 and name H) (resid 75 and name HB2)   3.2 0.6 0.6
assign (resid 76 and name H) (resid 75 and name H)    3.0 0.6 0.6
assign (resid 76 and name H) (resid 76 and name HA)    3.0 0.5 0.5
assign (resid 76 and name H) (resid 76 and name HB3)   2.4 0.5 0.5
assign (resid 76 and name H) (resid 76 and name HB2)   3.6 0.5 0.5
assign (resid 76 and name H) (resid 78 and name H)    5.0 0.5 0.5

assign (resid 77 and name H) (resid 76 and name HB2)   3.9 0.6 0.6
assign (resid 77 and name H) (resid 77 and name HA)    2.3 0.5 0.5
assign (resid 77 and name H) (resid 77 and name HB3)   3.2 0.5 0.5
assign (resid 77 and name H) (resid 78 and name HG1*)   5.0 0.5 0.5
assign (resid 77 and name HA) (resid 77 and name HB3)     2.8 0.5 0.5
assign (resid 77 and name HA) (resid 77 and name HB2)     2.8 0.5 0.5
assign (resid 77 and name HB3) (resid 77 and name HA)     2.8 0.5 0.5
assign (resid 77 and name HB2) (resid 77 and name HA)     2.8 0.5 0.5

assign (resid 78 and name H) (resid 73 and name HA)    3.4 0.5 0.5
assign (resid 78 and name H) (resid 76 and name H)    5.0 0.5 0.5
assign (resid 78 and name H) (resid 77 and name HA)    2.7 0.5 0.5
assign (resid 78 and name H) (resid 77 and name HB2)   4.0 0.5 0.5
assign (resid 78 and name H) (resid 78 and name HB)    2.5 0.5 0.5
assign (resid 78 and name H) (resid 78 and name HD1*)   4.0 0.9 0.9
assign (resid 78 and name H) (resid 78 and name HG2*)   4.5 0.9 0.9
assign (resid 78 and name H) (resid 78 and name HG1*)   3.0 1.2 1.7
assign (resid 78 and name HA) (resid 78 and name HD1*)     3.0 1.2 1.8
assign (resid 78 and name HA) (resid 78 and name HG2*)     3.2 1.3 1.3
assign (resid 78 and name HD1*) (resid 32 and name HG2*)    5.5 0.5 0.5
assign (resid 78 and name HD1*) (resid 78 and name HA)     3.0 1.2 1.8
assign (resid 78 and name HD1*) (resid 78 and name HB)     3.5 1.7 1.7
assign (resid 78 and name HD1*) (resid 78 and name HG2*)    3.6 1.8 2.0
assign (resid 78 and name HD1*) (resid 78 and name HG1*)    3.0 1.2 0.5
assign (resid 78 and name HD1*) (resid 83 and name HB)     3.3 1.5 1.5
assign (resid 78 and name HD1*) (resid 83 and name HG2*)    2.1 0.3 3.9
assign (resid 78 and name HD1*) (resid 85 and name HG2*)    3.4 1.6 1.9
assign (resid 78 and name HG1*) (resid 66 and name HG2*)    4.8 0.5 1.2
assign (resid 78 and name HG2*) (resid 34 and name HB2)    3.5 1.2 1.2
assign (resid 78 and name HG2*) (resid 66 and name HG2*)    4.1 0.5 1.9
assign (resid 78 and name HG2*) (resid 78 and name HA)     3.2 1.2 1.2
assign (resid 78 and name HG2*) (resid 78 and name HB)     2.7 0.7 0.7
assign (resid 78 and name HG2*) (resid 78 and name HD1*)    3.6 1.8 2.0
assign (resid 78 and name HG2*) (resid 83 and name HB)     3.3 1.5 1.5
assign (resid 78 and name HG2*) (resid 83 and name HG2*)    3.0 0.5 3.0

assign (resid 79 and name H) (resid 78 and name HA)    2.0 0.2 0.5
assign (resid 79 and name H) (resid 78 and name HD1*)   4.1 1.0 1.0
assign (resid 79 and name H) (resid 79 and name HB)    3.8 0.5 0.5
assign (resid 79 and name H) (resid 79 and name HG1*)   3.5 0.5 0.5
assign (resid 79 and name H) (resid 79 and name HG2*)   4.0 1.7 1.7
assign (resid 79 and name H) (resid 80 and name H)    2.1 0.3 0.5
assign (resid 79 and name HB) (resid 79 and name HG2*)     2.7 0.7 0.7

assign (resid 80 and name H) (resid 78 and name HA)    3.8 0.5 0.5
assign (resid 80 and name H) (resid 78 and name HG2*)   3.4 1.3 1.3
assign (resid 80 and name H) (resid 79 and name HB)    4.1 0.5 0.5
assign (resid 80 and name H) (resid 79 and name HG1*)   4.2 0.5 0.5
assign (resid 80 and name H) (resid 79 and name H)    2.1 0.3 0.5
assign (resid 80 and name H) (resid 79 and name HG2*)   4.5 0.5 1.5
assign (resid 80 and name H) (resid 80 and name HA)    2.9 0.5 0.5
assign (resid 80 and name H) (resid 80 and name HB#)    3.7 0.8 0.8
assign (resid 80 and name H) (resid 81 and name HG1*)   4.5 0.5 1.5
assign (resid 80 and name HA) (resid 80 and name HB#)      2.5 0.6 0.5
assign (resid 80 and name HB#) (resid 80 and name HA)      2.5 0.6 0.5

assign (resid 81 and name H) (resid 80 and name HA)    2.3 0.5 0.5
assign (resid 81 and name H) (resid 80 and name HB#)    3.1 1.2 1.2
!assign (resid 81 and name H) (resid 81 and name HG#)   3.5 1.9 1.9
assign (resid 81 and name HB) (resid 35 and name HA)      2.8 0.5 1.0
!assign (resid 81 and name HB) (resid 81 and name HG#)     2.7 0.8 0.8
assign (resid 81 and name HG#) (resid 34 and name HB2)    3.2 0.5 2.8
assign (resid 81 and name HG#) (resid 35 and name HA)     3.7 0.5 2.3
assign (resid 81 and name HG#) (resid 36 and name HB#)     3.4 0.5 2.6
assign (resid 81 and name HG#) (resid 42 and name HB#)     5.0 0.6 0.5
!assign (resid 81 and name HG#) (resid 81 and name HB)     2.7 0.7 0.7
!assign (resid 81 and name HG#) (resid 82 and name QD)  3.9 0.8 2.1
assign (resid 81 and name HG#) (resid 73 and name HG2)     5.4 0.5 0.6

!assign (resid 82 and name HA) (resid 81 and name HB)      2.5 0.8 1.0
!assign (resid 82 and name HA) (resid 81 and name HG#)     4.2 1.3 1.3
!assign (resid 82 and name HA) (resid 82 and name QD)      4.0 0.8 0.8

assign (resid 83 and name H) (resid 78 and name HG2*)   4.7 0.5 1.3
!assign (resid 83 and name H) (resid 81 and name HG1*)   4.1 0.5 1.9
!assign (resid 83 and name H) (resid 82 and name HA)    2.2 0.4 0.5
!assign (resid 83 and name H) (resid 82 and name HB#)    3.3 0.9 0.9
!assign (resid 83 and name H) (resid 82 and name QD)    3.3 0.9 0.9
assign (resid 83 and name H) (resid 83 and name HA)    3.0 0.5 0.5
assign (resid 83 and name H) (resid 83 and name HB)    2.9 0.5 0.5
assign (resid 83 and name H) (resid 83 and name HG2*)   3.1 1.1 1.1
assign (resid 83 and name H) (resid 34 and name H)    3.1 0.5 0.5
assign (resid 83 and name HB) (resid 83 and name HG2*)     2.7 0.7 0.7
assign (resid 83 and name HG2*) (resid 78 and name HD1*)    3.6 1.8 1.9
assign (resid 83 and name HG2*) (resid 78 and name HG2*)    3.0 0.5 3.0
assign (resid 83 and name HG2*) (resid 83 and name HA)     3.1 1.1 1.1
assign (resid 83 and name HG2*) (resid 83 and name HB)     2.7 0.7 0.7
assign (resid 83 and name HG2*) (resid 84 and name HA)     3.8 0.5 2.2
assign (resid 83 and name HG2*) (resid 95 and name HB#)     3.7 0.5 2.3
assign (resid 83 and name HG2*) (resid 95 and name HG#)     5.0 0.5 1.0
assign (resid 83 and name HG2*) (resid 97 and name QD)     5.0 0.5 0.5
assign (resid 83 and name HG2*) (resid 97 and name QE)     5.0 0.5 0.5

assign (resid 84 and name H) (resid 83 and name HA)    2.2 0.4 0.5
assign (resid 84 and name H) (resid 83 and name H)    4.4 0.5 0.5
assign (resid 84 and name H) (resid 83 and name HG2*)   3.1 1.1 1.1
assign (resid 84 and name H) (resid 84 and name HA)    3.0 0.5 0.5
assign (resid 84 and name H) (resid 84 and name HB3)   2.7 0.5 1.0
!assign (resid 84 and name H) (resid 84 and name HB2)   3.8 1.0 0.5 !
assign (resid 84 and name H) (resid 84 and name QD)    4.0 1.5 1.5
assign (resid 84 and name H) (resid 95 and name HA)    4.7 0.5 0.5
assign (resid 84 and name H) (resid 96 and name HB)    3.6 0.5 0.5
assign (resid 84 and name H) (resid 96 and name HG1*)   4.6 0.5 1.4
assign (resid 84 and name H) (resid 97 and name HG#)    5.1 0.6 0.9
assign (resid 84 and name HB2) (resid 84 and name HD#) 3.0 1.1 1.1
assign (resid 84 and name HB2) (resid 84 and name HA) 2.5 0.5 0.5
assign (resid 84 and name HB3) (resid 84 and name HA)     3.0 0.5 0.5
assign (resid 84 and name HB3) (resid 84 and name QD)     3.0 1.1 1.1

assign (resid 85 and name H) (resid 31 and name HA)    4.2 0.5 1.5
assign (resid 85 and name H) (resid 31 and name HG#)   3.6 0.5 2.4
assign (resid 85 and name H) (resid 32 and name HA)    4.6 0.5 0.5
assign (resid 85 and name H) (resid 32 and name HG1*)   5.0 0.5 0.5
assign (resid 85 and name H) (resid 84 and name HA)    2.2 0.4 0.5
assign (resid 85 and name H) (resid 84 and name HB3)   4.2 0.5 0.5
assign (resid 85 and name H) (resid 84 and name HB2)   3.3 0.5 1.5 !
assign (resid 85 and name H) (resid 84 and name H)    4.4 0.5 0.5
assign (resid 85 and name H) (resid 85 and name HA)    3.0 0.5 0.5
assign (resid 85 and name H) (resid 85 and name HB)    2.7 0.5 0.5
assign (resid 85 and name H) (resid 85 and name HG#)   3.9 1.5 1.5
assign (resid 85 and name H) (resid 32 and name HB)    2.9 0.5 0.5
assign (resid 85 and name H) (resid 32 and name HG1*)   5.0 0.5 0.5
assign (resid 85 and name HA) (resid 32 and name HB)      4.9 0.5 0.5
assign (resid 85 and name HA) (resid 85 and name HB)      3.0 0.5 0.5
assign (resid 85 and name HA) (resid 85 and name HG#)     3.1 1.1 1.1
assign (resid 85 and name HB) (resid 85 and name HG#)     2.7 0.8 0.7
assign (resid 85 and name HG#) (resid 32 and name HB)     3.3 0.6 0.5
assign (resid 85 and name HG#) (resid 85 and name HA)     2.8 0.5 0.6
assign (resid 85 and name HG#) (resid 85 and name HB)     2.7 0.8 0.7

assign (resid 86 and name H) (resid 85 and name HA)    2.1 0.5 0.5
assign (resid 86 and name H) (resid 85 and name HB)    4.2 0.5 0.5
assign (resid 86 and name H) (resid 85 and name HG1*)   3.6 1.2 1.2
assign (resid 86 and name H) (resid 86 and name HB)    2.6 0.5 0.5
assign (resid 86 and name H) (resid 86 and name HD1*)   4.7 1.0 1.0
assign (resid 86 and name H) (resid 87 and name HA)    5.0 0.5 0.5
assign (resid 86 and name H) (resid 87 and name H)    4.2 0.6 0.6
assign (resid 86 and name H) (resid 94 and name H)    3.3 0.5 0.5
assign (resid 86 and name H) (resid 93 and name H)    4.2 0.5 0.5
assign (resid 86 and name HA) (resid 31 and name HA)      2.5 0.5 1.0 !
assign (resid 86 and name HA) (resid 86 and name HB)      3.0 0.5 0.5
assign (resid 86 and name HA) (resid 86 and name HD1*)     4.7 0.7 0.7
assign (resid 86 and name HD1*) (resid 86 and name HA)     4.7 0.7 0.7
assign (resid 86 and name HD1*) (resid 86 and name HB)     3.1 1.1 1.1
assign (resid 86 and name HD1*) (resid 93 and name HB3)    5.0 0.6 1.0
assign (resid 86 and name HD1*) (resid 93 and name HB2)    5.2 0.5 0.8
assign (resid 86 and name HD1*) (resid 104 and name HD1*)   3.6 1.8 2.3
assign (resid 86 and name HD1*) (resid 108 and name HG)    4.8 0.7 0.7
assign (resid 86 and name QG2) (resid 87 and name HB#)     5.3 0.5 0.7
assign (resid 86 and name QG2) (resid 93 and name HB3)    3.0 1.4 1.4
assign (resid 86 and name QG2) (resid 93 and name HB2)    4.0 1.3 1.3
assign (resid 86 and name QG2) (resid 104 and name HD1*)   5.5 0.5 0.5
assign (resid 86 and name QG2) (resid 108 and name HG)    5.0 0.5 1.0

assign (resid 87 and name H) (resid 85 and name HG#)   4.5 0.5 0.6
assign (resid 87 and name H) (resid 86 and name HA)    2.1 0.5 0.5
assign (resid 87 and name H) (resid 86 and name HB)    4.1 0.5 0.5
assign (resid 87 and name H) (resid 86 and name HD1*)   5.7 0.5 0.3
assign (resid 87 and name H) (resid 87 and name HB#)    2.8 0.5 0.5
assign (resid 87 and name H) (resid 31 and name HA)    5.0 0.5 0.5
assign (resid 87 and name H) (resid 31 and name HA)    5.0 0.5 0.5
assign (resid 87 and name HA) (resid 87 and name HB#)      2.7 0.7 0.7
assign (resid 87 and name HA) (resid 92 and name HA)      3.2 0.5 0.5
assign (resid 87 and name HA) (resid 93 and name HD*)     3.1 0.5 2.9
assign (resid 87 and name HB#) (resid 24 and name HB)      3.5 1.2 1.2
assign (resid 87 and name HB#) (resid 85 and name HG#)     4.3 0.6 0.6
assign (resid 87 and name HB#) (resid 87 and name HA)      2.7 0.7 0.7

assign (resid 88 and name H) (resid 93 and name HD*)   5.0 0.5 0.5
assign (resid 88 and name H) (resid 93 and name HD*)   4.6 0.5 0.5
assign (resid 88 and name H) (resid 87 and name HA)    2.3 0.5 0.5
assign (resid 88 and name H) (resid 87 and name HB#)    3.2 1.1 1.1
assign (resid 88 and name H) (resid 88 and name HA)    3.0 0.5 0.5
assign (resid 88 and name H) (resid 88 and name HG#)    4.7 0.6 0.6
assign (resid 88 and name H) (resid 92 and name HA)    5.0 0.5 0.5
assign (resid 88 and name HA) (resid 88 and name HB#)      2.7 0.8 0.8
assign (resid 88 and name HA) (resid 88 and name HG#)      2.7 0.8 0.9

assign (resid 89 and name H) (resid 88 and name HA)    2.2 0.4 0.5
assign (resid 89 and name H) (resid 88 and name HB#)    4.2 0.6 0.6
assign (resid 89 and name H) (resid 88 and name HG#)    3.1 0.5 0.5
assign (resid 89 and name H) (resid 89 and name HA3)   2.3 0.5 0.5
assign (resid 89 and name H) (resid 89 and name HA2)   2.8 0.5 0.5

assign (resid 90 and name H) (resid 87 and name HB2)   3.7 0.5 0.5
assign (resid 90 and name H) (resid 89 and name HA3)   3.5 0.6 0.6
assign (resid 90 and name H) (resid 90 and name HA3)   2.3 0.5 0.5
assign (resid 90 and name H) (resid 90 and name HA2)   2.9 0.5 0.5
assign (resid 90 and name H) (resid 91 and name H)    2.7 0.5 0.5

assign (resid 91 and name H) (resid 87 and name HA)    4.6 0.5 0.5
assign (resid 91 and name H) (resid 91 and name HA)    3.0 0.5 0.5

assign (resid 92 and name HB2) (resid 87 and name HB#) 5.8 0.5 0.2
assign (resid 92 and name HB2) (resid 92 and name HG#) 2.7 0.7 0.7
assign (resid 92 and name HB3) (resid 92 and name HB2) 2.0 0.2 0.5
assign (resid 92 and name HB3) (resid 92 and name HG#) 2.5 0.6 0.7
assign (resid 92 and name HA) (resid 92 and name HB3)     2.8 0.5 0.5
assign (resid 92 and name HB3) (resid 92 and name HA)     2.8 0.5 0.5
assign (resid 92 and name HB2) (resid 92 and name HA)     2.4 0.5 0.5
assign (resid 92 and name HG#) (resid 92 and name HB2)     2.7 0.7 0.7
assign (resid 92 and name HG#) (resid 92 and name QD)      2.9 0.9 0.9

assign (resid 93 and name H) (resid 87 and name HA)    2.7 0.5 0.5
assign (resid 93 and name H) (resid 92 and name HA)    2.2 0.4 0.5
assign (resid 93 and name H) (resid 92 and name HB3)   3.7 0.5 0.5
assign (resid 93 and name H) (resid 92 and name HB2)   4.1 0.5 0.5
assign (resid 93 and name H) (resid 93 and name HB3)   2.4 0.5 0.5
assign (resid 93 and name H) (resid 93 and name HB2)   3.7 1.0 1.0 !
assign (resid 93 and name H) (resid 93 and name HD*)   4.6 1.1 1.1
assign (resid 93 and name H) (resid 94 and name H)    2.1 0.3 0.5
assign (resid 93 and name H) (resid 88 and name H)    5.0 0.5 0.5
assign (resid 93 and name HB2) (resid 93 and name HD*)    3.5 1.4 1.3
assign (resid 93 and name HD*) (resid 93 and name HA)     3.3 1.7 1.6
assign (resid 93 and name HD*) (resid 93 and name HB3)    3.5 1.4 1.3
assign (resid 93 and name HD*) (resid 93 and name HB2)    3.2 1.2 1.1
assign (resid 93 and name HD1*) (resid 111 and name HA)    5.7 0.5 0.3

assign (resid 94 and name H) (resid 86 and name QG2)   4.5 0.5 1.5
assign (resid 94 and name H) (resid 87 and name HA)    4.6 0.5 0.5
assign (resid 94 and name H) (resid 92 and name HB3)   4.0 0.5 2.0
assign (resid 94 and name H) (resid 92 and name HB2)   4.0 0.5 0.6
assign (resid 94 and name H) (resid 93 and name HA)    3.5 0.5 0.5
assign (resid 94 and name H) (resid 93 and name HG)    4.6 0.5 0.5
assign (resid 94 and name H) (resid 93 and name H)    2.1 0.5 0.5
assign (resid 94 and name H) (resid 94 and name QA)    2.8 0.6 0.6
assign (resid 94 and name H) (resid 95 and name H)    4.3 0.5 0.5

assign (resid 95 and name H) (resid 94 and name H)    4.3 0.5 0.5
assign (resid 95 and name H) (resid 94 and name QA)    2.5 0.6 0.6
assign (resid 95 and name H) (resid 95 and name HA)    2.9 0.5 0.5
assign (resid 95 and name H) (resid 96 and name H)    3.6 0.6 0.6
assign (resid 95 and name HA) (resid 85 and name HA)      2.6 0.5 0.5
assign (resid 95 and name HA) (resid 85 and name HG#)     4.2 0.5 1.8
assign (resid 95 and name HA) (resid 95 and name HB#)      2.5 0.5 0.5
assign (resid 95 and name HA) (resid 95 and name HG#)      3.8 0.6 0.6
assign (resid 95 and name HB#) (resid 83 and name HG2*)     5.0 0.5 0.5
assign (resid 95 and name HB#) (resid 95 and name HA)      2.5 0.5 0.5
assign (resid 95 and name HG#) (resid 83 and name HG2*)     5.0 0.5 0.5
assign (resid 95 and name HG#) (resid 95 and name HA)      3.8 0.6 0.6

assign (resid 96 and name H) (resid 83 and name HA)    4.8 0.5 0.5
assign (resid 96 and name H) (resid 83 and name HG2*)   4.6 1.0 1.0
assign (resid 96 and name H) (resid 84 and name HA)    4.6 0.5 0.5
assign (resid 96 and name H) (resid 84 and name HB3)   2.9 0.5 1.0 !
assign (resid 96 and name H) (resid 84 and name HB2)   4.1 0.5 0.5
assign (resid 96 and name H) (resid 95 and name HA)    2.5 0.7 0.7
assign (resid 96 and name H) (resid 95 and name H)    3.8 0.6 0.6
assign (resid 96 and name H) (resid 95 and name HB#)    3.3 0.6 0.5
assign (resid 96 and name H) (resid 96 and name HA)    3.0 0.5 0.5
assign (resid 96 and name H) (resid 96 and name HG1*)   4.7 0.8 0.8
assign (resid 96 and name H) (resid 96 and name HG2*)   3.7 1.1 1.1
assign (resid 96 and name H) (resid 97 and name H)    4.2 0.5 0.5
assign (resid 96 and name H) (resid 84 and name H)    2.9 0.5 0.5
assign (resid 96 and name HG1*) (resid 96 and name HA) 3.1 1.1 1.1
assign (resid 96 and name HG1*) (resid 100 and name HB2) 4.5 0.5 0.5
assign (resid 96 and name HG1*) (resid 100 and name HB3) 4.5 0.5 0.5
assign (resid 96 and name HG1*) (resid 96 and name HB) 2.7 0.7 0.7
assign (resid 96 and name HG2*) (resid 84 and name HD#) 5.0 0.5 0.5
assign (resid 96 and name HG2*) (resid 84 and name HD#) 5.0 0.5 0.5
assign (resid 96 and name HG1*) (resid 100 and name HB2) 4.5 0.5 0.5
assign (resid 96 and name HG1*) (resid 100 and name HB3) 4.5 0.5 0.5
assign (resid 96 and name HB) (resid 96 and name HG1*)     2.7 0.7 0.7
assign (resid 96 and name HB) (resid 96 and name HG2*)     2.7 0.8 0.8
assign (resid 96 and name HG2*) (resid 96 and name HA)     3.1 1.1 1.1
assign (resid 96 and name HG2*) (resid 96 and name HB)     2.7 0.8 0.8
assign (resid 96 and name HG2*) (resid 104 and name HD1*)   3.1 0.5 2.9
assign (resid 96 and name HG2*) (resid 103 and name QD)    5.6 0.5 0.4

assign (resid 97 and name H) (resid 83 and name HG2*)   4.8 0.5 1.2
assign (resid 97 and name H) (resid 96 and name HA)    2.8 0.5 0.6
assign (resid 97 and name H) (resid 96 and name HG2*)   3.3 0.6 0.5
assign (resid 97 and name H) (resid 97 and name HB#)    2.5 0.7 0.5
assign (resid 97 and name H) (resid 97 and name HG#)    3.1 0.6 0.6
assign (resid 97 and name H) (resid 98 and name H)    3.7 0.6 0.6
assign (resid 97 and name HA) (resid 83 and name HG2*)     3.5 1.3 1.3
assign (resid 97 and name HA) (resid 97 and name HB#)      2.7 0.7 0.7
assign (resid 97 and name HA) (resid 97 and name QD)      4.5 0.6 0.7
assign (resid 97 and name HA) (resid 97 and name HG#)      2.9 0.8 0.8
assign (resid 97 and name HB#) (resid 97 and name HA)      2.7 0.7 0.7
assign (resid 97 and name HB#) (resid 97 and name HG#)      2.8 0.9 0.9

assign (resid 98 and name H) (resid 83 and name HG2*)   4.7 1.2 1.2
assign (resid 98 and name H) (resid 97 and name HA)    2.0 0.5 0.5
assign (resid 98 and name H) (resid 97 and name HB#)    3.7 1.0 1.0
assign (resid 98 and name H) (resid 97 and name HG#)    4.6 0.9 0.9
assign (resid 98 and name H) (resid 98 and name QA)    2.5 0.7 0.7
assign (resid 98 and name H) (resid 99 and name HA)    5.4 0.5 0.5
assign (resid 98 and name H) (resid 99 and name HD3)   5.0 0.5 0.5

assign (resid 100 and name H) (resid 96 and name HG1*)  5.0 0.5 0.5
assign (resid 100 and name H) (resid 98 and name QA)   4.6 0.5 0.5
assign (resid 100 and name H) (resid 99 and name HA)   2.3 0.5 0.5
assign (resid 100 and name H) (resid 99 and name HB3)  4.3 0.5 0.5
assign (resid 100 and name H) (resid 99 and name HB2)  4.6 0.5 0.5
assign (resid 100 and name H) (resid 99 and name HD3)  4.7 0.6 0.6
assign (resid 100 and name H) (resid 99 and name HG#)   4.0 0.5 0.6
assign (resid 100 and name H) (resid 100 and name HA)  3.0 0.5 0.5
assign (resid 100 and name H) (resid 100 and name HB2) 3.8 0.5 0.5
assign (resid 100 and name H) (resid 101 and name H)  3.3 0.6 0.5
assign (resid 100 and name H) (resid 101 and name HG1*) 5.0 1.4 1.0
assign (resid 100 and name H) (resid 103 and name H)  5.7 0.5 0.3
assign (resid 100 and name HB3) (resid 100 and name HA)   3.1 0.5 0.5

assign (resid 101 and name H) (resid 99 and name HB3)  4.9 0.5 0.5
assign (resid 101 and name H) (resid 100 and name HA)  2.5 0.5 0.5
assign (resid 101 and name H) (resid 100 and name HB3) 4.5 0.5 0.5
assign (resid 101 and name H) (resid 100 and name HB2) 4.2 0.5 0.5
assign (resid 101 and name H) (resid 101 and name HA)  2.9 0.5 0.5
assign (resid 101 and name H) (resid 101 and name HB)  2.5 0.5 0.5
assign (resid 101 and name H) (resid 101 and name HG2*) 4.6 0.7 0.7
assign (resid 101 and name H) (resid 101 and name HG1*) 2.9 1.3 1.3
assign (resid 101 and name H) (resid 102 and name H)  3.3 0.6 0.5
assign (resid 101 and name H) (resid 103 and name H)  4.5 0.5 0.5
assign (resid 101 and name HA) (resid 101 and name HB)    3.0 0.5 0.5
assign (resid 101 and name HA) (resid 101 and name HD1*)   2.8 1.3 1.3
assign (resid 101 and name HA) (resid 101 and name HG2*)   3.1 1.1 1.1
assign (resid 101 and name HA) (resid 104 and name HG)    4.7 0.5 0.5
assign (resid 101 and name HB) (resid 101 and name HD1*)   4.0 0.7 0.7
assign (resid 101 and name HB) (resid 101 and name HG2*)   2.7 0.7 0.7
assign (resid 101 and name HB) (resid 101 and name HG1*)   2.4 0.5 0.5
!assign (resid 101 and name HD1*) (resid 45 and name HB)    3.3 1.2 1.2
assign (resid 101 and name HD1*) (resid 45 and name HG12)  3.7 0.5 2.3
assign (resid 101 and name HD1*) (resid 45 and name HG1*)   3.7 0.5 2.3
assign (resid 101 and name HD1*) (resid 52 and name HB3)    4.4 0.5 1.6
assign (resid 101 and name HD1*) (resid 49 and name HB3)   3.5 1.3 1.3
assign (resid 101 and name HD12) (resid 49 and name HG)    5.2 0.5 0.8
assign (resid 101 and name HD1*) (resid 52 and name HD1*)   3.6 0.5 2.4
assign (resid 101 and name HD1*) (resid 52 and name HB#)    4.3 0.5 1.7
assign (resid 101 and name HD1*) (resid 101 and name HA)   2.8 1.3 1.3
assign (resid 101 and name HD1*) (resid 101 and name HB)   4.0 0.7 0.7
assign (resid 101 and name HD1*) (resid 101 and name HG1*)  2.7 0.7 0.7
assign (resid 101 and name HD1*) (resid 52 and name HB2)   4.4 0.5 1.6
assign (resid 101 and name HD1*) (resid 104 and name HG)   4.8 0.5 1.2
!assign (resid 101 and name HD1*) (resid 104 and name HD1*)  5.7 0.5 0.3
assign (resid 101 and name HG1*) (resid 101 and name HB)   2.4 0.5 0.5
assign (resid 101 and name HG1*) (resid 104 and name HD2*)  5.5 0.5 0.5
assign (resid 101 and name HG2*) (resid 45 and name HB)    5.0 0.5 0.5
assign (resid 101 and name HG2*) (resid 52 and name HB2)   4.7 1.2 1.2
assign (resid 101 and name HG2*) (resid 52 and name HG)    4.5 0.5 1.3
assign (resid 101 and name HG2*) (resid 101 and name HA)   3.1 1.1 1.1
assign (resid 101 and name HG2*) (resid 101 and name HB)   2.7 0.7 0.7
assign (resid 101 and name HG2*) (resid 104 and name HG)   4.8 0.5 1.2
assign (resid 101 and name HG2*) (resid 105 and name HD3)   3.7 1.7 2.3
assign (resid 101 and name HG2*) (resid 101 and name HG1*)  3.6 1.6 1.5

assign (resid 102 and name H) (resid 101 and name HB)  3.5 0.5 0.5
assign (resid 102 and name H) (resid 101 and name H)  3.3 0.6 0.5
assign (resid 102 and name H) (resid 101 and name HG2*) 3.5 0.6 0.6
assign (resid 102 and name H) (resid 101 and name HG1*) 5.0 0.8 0.5
assign (resid 102 and name H) (resid 102 and name HA)  2.9 0.5 0.5
assign (resid 102 and name H) (resid 102 and name HB#)  3.0 1.0 1.0
assign (resid 102 and name H) (resid 103 and name H)  2.7 0.5 0.5
assign (resid 102 and name H) (resid 103 and name HB3)  4.8 0.5 0.5
assign (resid 102 and name HB#) (resid 102 and name HA)    2.8 0.9 0.9

assign (resid 103 and name H) (resid 100 and name HB3) 5.0 0.5 0.5
assign (resid 103 and name H) (resid 101 and name HA)  4.4 0.5 0.5
assign (resid 103 and name H) (resid 101 and name HG2*) 5.4 0.5 0.6
assign (resid 103 and name H) (resid 102 and name HA)  3.5 0.5 0.5
assign (resid 103 and name H) (resid 102 and name H)  2.7 0.5 0.5
assign (resid 103 and name H) (resid 102 and name HB#)  3.1 0.9 0.9
assign (resid 103 and name H) (resid 103 and name HA)  2.9 0.5 0.5
assign (resid 103 and name H) (resid 103 and name HB#)  3.0 1.1 1.1
assign (resid 103 and name H) (resid 103 and name HG#)  3.0 1.0 1.0
assign (resid 103 and name HA) (resid 103 and name HB#)    2.7 0.7 0.7
assign (resid 103 and name HA) (resid 103 and name QD)    4.5 0.6 0.7
assign (resid 103 and name HA) (resid 103 and name HG#)    2.7 0.7 0.7
assign (resid 103 and name HB#) (resid 103 and name HA)    2.7 0.7 0.7
assign (resid 103 and name QD) (resid 96 and name HG1*)    5.0 0.5 0.5
assign (resid 103 and name QD) (resid 103 and name HA)    4.5 0.6 0.7

assign (resid 104 and name H) (resid 101 and name HA)  3.1 0.5 0.5
assign (resid 104 and name H) (resid 103 and name HA)  2.8 0.6 0.5
assign (resid 104 and name H) (resid 103 and name HG#)  4.8 0.8 0.8
assign (resid 104 and name H) (resid 104 and name HG)  4.5 0.5 0.5
assign (resid 104 and name H) (resid 105 and name H)  2.8 0.5 0.5
assign (resid 104 and name HD23) (resid 49 and name HB3)   5.3 0.5 0.7
assign (resid 104 and name HD2*) (resid 52 and name HB3)   4.8 0.6 0.6
assign (resid 104 and name HD2*) (resid 104 and name HG)   2.7 0.8 0.8
assign (resid 104 and name HD2*) (resid 101 and name HG1*)  5.5 0.5 0.5
assign (resid 104 and name HD2*) (resid 108 and name HG)   4.8 0.5 1.2

assign (resid 105 and name H) (resid 104 and name HA)  3.6 0.5 0.5
assign (resid 105 and name H) (resid 104 and name HG)  3.7 0.5 0.5
assign (resid 105 and name H) (resid 104 and name HD1*) 5.0 0.6 1.0
assign (resid 105 and name H) (resid 104 and name HD2*) 4.6 0.5 1.4
assign (resid 105 and name H) (resid 104 and name HB#)  3.3 1.2 1.2
assign (resid 105 and name HA) (resid 105 and name HB#)    2.7 0.7 0.7
assign (resid 105 and name QD) (resid 52 and name HD1*)    4.1 0.5 1.9
assign (resid 105 and name HD2) (resid 55 and name HB3)    5.3 0.5 0.5

assign (resid 106 and name H) (resid 106 and name HB#)  3.3 0.6 0.5
assign (resid 106 and name H) (resid 107 and name HA)  5.0 0.5 0.5

assign (resid 107 and name H) (resid 104 and name HA)  3.4 0.5 0.5
assign (resid 107 and name H) (resid 105 and name HB#)  5.1 0.5 0.9
assign (resid 107 and name H) (resid 106 and name HB#)  3.2 1.0 1.0
assign (resid 107 and name H) (resid 107 and name HA)  2.9 0.5 0.5
assign (resid 107 and name H) (resid 107 and name HB)  2.5 0.5 0.5
assign (resid 107 and name H) (resid 107 and name HG2*) 4.6 0.7 0.7
assign (resid 107 and name H) (resid 108 and name HA)  5.3 0.5 0.5
assign (resid 107 and name H) (resid 108 and name HB3) 4.6 0.5 0.5
assign (resid 107 and name H) (resid 108 and name H)  2.7 0.5 0.5
assign (resid 107 and name H) (resid 110 and name HG2) 5.0 0.5 0.5
assign (resid 107 and name HA) (resid 107 and name HG2*)   3.1 1.1 1.1
assign (resid 107 and name HG2*) (resid 107 and name HA)   3.1 1.1 1.1
assign (resid 107 and name HG2*) (resid 107 and name HB)   2.7 0.7 0.7
assign (resid 107 and name HG2*) (resid 108 and name HB3)  5.4 0.5 0.6
assign (resid 107 and name HG2*) (resid 111 and name HB3)  4.5 0.5 1.5
assign (resid 107 and name HG2*) (resid 111 and name HB2)  5.5 0.5 0.5
assign (resid 107 and name HG2*) (resid 111 and name HD*)  2.8 0.5 2.9
assign (resid 107 and name HG2*) (resid 94 and name HA#)  3.7 0.5 2.3

assign (resid 108 and name H) (resid 105 and name HA)  3.7 0.5 0.5
assign (resid 108 and name H) (resid 106 and name HB#)  5.0 0.5 0.5
assign (resid 108 and name H) (resid 107 and name HA)  3.6 0.5 0.5
assign (resid 108 and name H) (resid 107 and name HB)  2.6 0.5 0.5
assign (resid 108 and name H) (resid 107 and name H)  2.7 0.5 0.5
assign (resid 108 and name H) (resid 107 and name HG2*) 4.1 1.0 1.1
assign (resid 108 and name H) (resid 108 and name HA)  2.9 0.5 0.5
assign (resid 108 and name H) (resid 108 and name HB3) 2.2 0.4 0.5
assign (resid 108 and name H) (resid 108 and name HB2) 3.6 0.5 0.5
assign (resid 108 and name H) (resid 108 and name HG)  2.4 0.5 0.5
assign (resid 108 and name H) (resid 108 and name HD*) 4.3 1.0 1.0
assign (resid 108 and name H) (resid 104 and name HG) 4.4 0.5 0.5
assign (resid 108 and name HD*) (resid 31 and name HG#)   2.5 0.5 3.5
assign (resid 108 and name HD*) (resid 29 and name HG2*)   3.1 0.5 2.9
assign (resid 108 and name HD*) (resid 52 and name HD1*)   2.5 0.5 3.5
assign (resid 108 and name HD*) (resid 52 and name HD*)   2.2 0.4 3.8
assign (resid 108 and name HD*) (resid 104 and name HG)   2.8 0.5 3.2
assign (resid 108 and name HD*) (resid 104 and name HD1*)  4.2 0.5 1.8
assign (resid 108 and name HD*) (resid 107 and name HG2*)  4.0 0.5 2.0
assign (resid 108 and name HD*) (resid 108 and name HB2)  3.2 1.2 1.2
assign (resid 108 and name HD*) (resid 108 and name HG)   2.8 0.8 0.8

assign (resid 109 and name H) (resid 108 and name HB2) 4.0 0.5 0.5
assign (resid 109 and name H) (resid 109 and name HA)  2.8 0.5 0.5
assign (resid 109 and name H) (resid 109 and name HB3) 2.6 0.5 0.5
assign (resid 109 and name H) (resid 109 and name HB2) 3.6 0.5 0.5
assign (resid 109 and name H) (resid 110 and name H)  2.8 0.5 0.5
assign (resid 109 and name H) (resid 111 and name H)  3.5 0.5 0.5

assign (resid 110 and name H) (resid 109 and name HA)  3.6 0.5 0.5
assign (resid 110 and name H) (resid 109 and name HB3) 2.6 0.5 0.5
assign (resid 110 and name H) (resid 109 and name HB2) 3.4 0.5 0.5
assign (resid 110 and name H) (resid 109 and name H)  2.8 0.5 0.5
assign (resid 110 and name H) (resid 110 and name HA)  2.9 0.5 0.5
assign (resid 110 and name H) (resid 110 and name HG2) 2.4 0.5 0.5
assign (resid 110 and name H) (resid 110 and name HB#)  3.0 1.2 1.2
assign (resid 110 and name H) (resid 111 and name H)  3.3 0.6 0.5
assign (resid 110 and name HG2) (resid 106 and name HA)   4.1 0.5 0.5
assign (resid 110 and name HG2) (resid 106 and name HB2)   4.0 0.5 0.5
assign (resid 110 and name HG3) (resid 109 and name HB3)  4.7 0.5 0.5
assign (resid 110 and name HG2) (resid 109 and name HB3)  3.3 0.5 0.5
assign (resid 110 and name HG2) (resid 109 and name HB2)  4.1 0.5 1.0 !

assign (resid 111 and name H) (resid 108 and name HA)  3.5 0.5 0.5
assign (resid 111 and name H) (resid 110 and name HB#)  3.5 0.5 0.5
assign (resid 111 and name H) (resid 111 and name HA)  2.9 0.5 0.5
assign (resid 111 and name H) (resid 111 and name HB3) 2.2 0.4 0.5
assign (resid 111 and name H) (resid 111 and name HB2) 3.6 0.5 0.5
assign (resid 111 and name H) (resid 111 and name HD*) 4.4 0.9 0.9
assign (resid 111 and name H) (resid 112 and name H)  2.5 0.5 0.5
assign (resid 111 and name HA) (resid 111 and name HB3)   3.0 0.5 0.5
assign (resid 111 and name HA) (resid 111 and name HB2)   2.6 0.5 0.5
assign (resid 111 and name HD2*) (resid 93 and name HB2)   3.8 1.2 1.2
assign (resid 111 and name HD*) (resid 107 and name HG2*)  5.0 0.5 0.5
assign (resid 111 and name HD*) (resid 111 and name HB2)  3.2 1.2 1.1

assign (resid 112 and name H) (resid 109 and name HA)  3.8 0.5 0.5
assign (resid 112 and name H) (resid 111 and name HG)  4.4 0.5 0.5
assign (resid 112 and name H) (resid 111 and name H)  2.5 0.5 0.5
assign (resid 112 and name H) (resid 112 and name HA)  2.9 0.5 0.5
assign (resid 112 and name H) (resid 112 and name HB3) 2.5 0.5 0.5
assign (resid 112 and name H) (resid 112 and name HB2) 2.5 0.5 0.5
assign (resid 112 and name H) (resid 112 and name HD2*) 4.9 1.0 1.1 !
assign (resid 112 and name H) (resid 113 and name H)  3.1 0.6 0.6
assign (resid 112 and name HG) (resid 113 and name HB#)    5.0 0.5 1.0
assign (resid 112 and name HD2*) (resid 58 and name HB3)   4.3 0.5 1.6
assign (resid 112 and name HD2*) (resid 108 and name HB3)  5.0 0.5 0.5
assign (resid 112 and name HD2*) (resid 112 and name HB3)  3.2 1.3 1.3
assign (resid 112 and name HD2*) (resid 112 and name HB2)  3.0 1.1 1.1
assign (resid 112 and name HD2*) (resid 112 and name HG)   2.7 0.7 0.7

assign (resid 113 and name H) (resid 112 and name HB2) 3.5 0.5 0.5
assign (resid 113 and name H) (resid 112 and name HG)  5.0 0.5 0.5
assign (resid 113 and name H) (resid 112 and name H)  3.2 0.6 0.6
assign (resid 113 and name H) (resid 112 and name HD2*) 5.0 0.5 0.5
assign (resid 113 and name H) (resid 113 and name HA)  2.9 0.5 0.5
assign (resid 113 and name H) (resid 113 and name HB#)  3.0 1.0 1.1
assign (resid 113 and name H) (resid 115 and name H)  5.0 0.5 0.5
assign (resid 113 and name HA) (resid 113 and name HB#)    2.7 0.7 0.7
assign (resid 113 and name HB#) (resid 110 and name HA)    3.5 0.5 0.5
assign (resid 113 and name HB#) (resid 113 and name HA)    2.7 0.7 0.7

assign (resid 114 and name H) (resid 113 and name HB#)  3.3 1.1 1.1
assign (resid 114 and name H) (resid 114 and name HA)  3.0 0.5 0.5
assign (resid 114 and name H) (resid 114 and name HB#)  3.1 1.1 1.1
assign (resid 114 and name H) (resid 115 and name H)  3.3 0.6 0.5
assign (resid 114 and name H) (resid 117 and name HB#)  3.9 0.6 0.6
assign (resid 114 and name HB#) (resid 114 and name HA)    2.7 0.7 0.7

assign (resid 116 and name H) (resid 115 and name HB2) 3.5 0.5 0.5
assign (resid 116 and name H) (resid 116 and name HA)  3.5 0.5 0.5
assign (resid 116 and name HG#) (resid 116 and name HA)    3.6 0.6 0.6

!assign (resid 117 and name H) (resid 117 and name HA)  3.1 0.6 0.6
!assign (resid 117 and name H) (resid 117 and name HB#)  3.3 0.6 0.5
!assign (resid 117 and name HA) (resid 117 and name HB#)    3.1 0.6 0.6
!assign (resid 117 and name HB#) (resid 117 and name HA)    2.8 0.5 0.6



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