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
	28738	6i1b	434	cing	1-original	2	XPLOR/CNS	distance	NOE	simple

set echo=false end
set wrnlev=0 end
!Ala-1
assign (resid 1 and name HA )(resid 2 and name HD1 ) 3.0 2.2 1.3 !#
assign (resid 1 and name HA )(resid 2 and name HD2 ) 3.0 2.2 1.3 !#
assign (resid 1 and name HB# )(resid 2 and name HD1 ) 3.0 3.7 2.8 ! !#
assign (resid 1 and name HB# )(resid 2 and name HD2 ) 3.0 3.7 2.8 ! !#
!Pro-2
assign (resid 2 and name HA )(resid 2 and name HB1 ) 2.5 0.7 0.2
assign (resid 2 and name HA )(resid 2 and name HB2 ) 4.0 2.2 1.0
assign (resid 2 and name HD1 )(resid 2 and name HG# ) 4.0 4.2 3.0 ! !#
assign (resid 2 and name HD2 )(resid 2 and name HG# ) 4.0 4.2 3.0 ! !#
assign (resid 2 and name HD# )(resid 3 and name HB ) 4.0 3.2 2.0 !
assign (resid 2 and name HD# )(resid 93 and name HB# ) 4.0 4.2 3.0 ! !#
!Val-3
assign (resid 3 and name HN )(resid 3 and name HA ) 4.0 2.2 1.0
assign (resid 3 and name HN )(resid 3 and name HB ) 3.0 1.2 0.5
assign (resid 3 and name HN )(resid 3 and name HG* ) 3.0 2.9 2.2 !#
assign (resid 3 and name HA )(resid 3 and name HB ) 4.0 2.2 1.0
assign (resid 3 and name HA )(resid 3 and name HG* ) 4.0 2.8 1.6 !#
assign (resid 3 and name HN )(resid 2 and name HA ) 2.5 0.7 0.2
assign (resid 3 and name HN )(resid 2 and name HB2 ) 4.0 2.2 1.0
assign (resid 3 and name HA )(resid 93 and name HA ) 4.0 2.2 1.0
assign (resid 3 and name HG* )(resid 91 and name HB1 ) 4.0 4.6 3.4 !
assign (resid 3 and name HG* )(resid 91 and name HB2 ) 4.0 4.6 3.4 !
assign (resid 3 and name HG* )(resid 46 and name HB2 ) 4.0 4.6 3.4 !
!Arg-4
assign (resid 4 and name HN )(resid 4 and name HA ) 4.0 2.2 1.0
assign (resid 4 and name HA )(resid 4 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 4 and name HA )(resid 4 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 4 and name HN )(resid 3 and name HA ) 2.5 0.7 0.2
assign (resid 4 and name HN )(resid 3 and name HB ) 2.5 0.7 0.2
assign (resid 4 and name HN )(resid 3 and name HG* ) 3.0 3.6 2.9 !#
assign (resid 4 and name HN )(resid 46 and name HN ) 4.0 2.2 1.0
!Ser-5
assign (resid 5 and name HN )(resid 5 and name HA ) 3.0 1.2 0.5
assign (resid 5 and name HN )(resid 5 and name HB1 ) 4.0 2.2 1.0
assign (resid 5 and name HN )(resid 5 and name HB2 ) 3.0 1.2 0.5
assign (resid 5 and name HA )(resid 5 and name HB1 ) 3.0 1.2 0.3
assign (resid 5 and name HA )(resid 5 and name HB2 ) 4.0 2.2 1.0
assign (resid 5 and name HN )(resid 4 and name HA ) 2.5 0.7 0.2
assign (resid 5 and name HN )(resid 4 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 5 and name HN )(resid 4 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 5 and name HN )(resid 6 and name HN ) 4.0 2.2 1.0
assign (resid 5 and name HA )(resid 45 and name HA ) 2.5 0.7 0.2
assign (resid 5 and name HB1 )(resid 45 and name HA ) 4.0 2.2 1.0
assign (resid 5 and name HB2 )(resid 45 and name HA ) 4.0 2.2 1.0
!Leu-6
assign (resid 6 and name HN )(resid 6 and name HA ) 4.0 2.2 1.0
assign (resid 6 and name HN )(resid 6 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 6 and name HN )(resid 6 and name HD* ) 3.0 2.9 2.2 !#
assign (resid 6 and name HA )(resid 6 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 6 and name HA )(resid 6 and name HD# ) 2.5 2.4 1.9 !#
assign (resid 6 and name HB# )(resid 6 and name HD* ) 2.5 3.4 2.9 ! !#
assign (resid 6 and name HN )(resid 5 and name HA ) 2.5 0.7 0.2
assign (resid 6 and name HN )(resid 5 and name HB1 ) 3.0 1.2 0.5
assign (resid 6 and name HN )(resid 5 and name HB2 ) 3.0 1.2 0.5
assign (resid 6 and name HN )(resid 7 and name HN ) 4.0 2.2 1.0
assign (resid 6 and name HN )(resid 45 and name HA ) 4.0 2.2 1.0
assign (resid 6 and name HN )(resid 43 and name HA ) 4.0 2.2 1.0
assign (resid 6 and name HN )(resid 44 and name HB1 ) 4.0 2.2 1.0
assign (resid 6 and name HN )(resid 44 and name HB2 ) 4.0 2.2 1.0
assign (resid 6 and name HN )(resid 44 and name HN ) 3.0 1.2 0.5
assign (resid 6 and name HD* )(resid 148 and name HE# ) 2.5 4.6 4.1 ! !#
!Asn-7
assign (resid 7 and name HN )(resid 7 and name HA ) 2.5 0.7 0.2
assign (resid 7 and name HN )(resid 7 and name HB2 ) 2.5 0.7 0.2
assign (resid 7 and name HN )(resid 7 and name HB1 ) 4.0 2.2 1.0
assign (resid 7 and name HA )(resid 7 and name HB2 ) 4.0 2.2 1.0
assign (resid 7 and name HA )(resid 7 and name HB1 ) 2.5 0.7 0.2
assign (resid 7 and name HN )(resid 6 and name HA ) 2.5 0.7 0.2
assign (resid 7 and name HN )(resid 6 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 7 and name HN )(resid 6 and name HD* ) 3.0 3.6 2.9 !#
assign (resid 7 and name HN )(resid 8 and name HN ) 4.0 2.2 1.0
assign (resid 7 and name HA )(resid 43 and name HA ) 2.5 0.7 0.2
assign (resid 7 and name HA )(resid 43 and name HB1 ) 4.0 2.2 1.0
assign (resid 7 and name HA )(resid 43 and name HB2 ) 4.0 2.2 1.0
assign (resid 7 and name HA )(resid 41 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 7 and name HA )(resid 151 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 7 and name HB1 )(resid 41 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 7 and name HB2 )(resid 41 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 7 and name HB1 )(resid 151 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 7 and name HB2 )(resid 151 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 7 and name HB1 )(resid 63 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 7 and name HB2 )(resid 63 and name HD# ) 4.0 3.2 2.0 !#
!Cys-8
assign (resid 8 and name HN )(resid 8 and name HA ) 4.0 2.2 1.0
assign (resid 8 and name HA )(resid 8 and name HB1 ) 3.0 1.2 0.3
assign (resid 8 and name HA )(resid 8 and name HB2 ) 3.0 1.2 0.3
assign (resid 8 and name HN )(resid 7 and name HB1 ) 3.0 1.2 0.5
assign (resid 8 and name HN )(resid 7 and name HB2 ) 4.0 2.2 1.0
assign (resid 8 and name HN )(resid 9 and name HN ) 4.0 2.2 1.0
assign (resid 8 and name HN )(resid 43 and name HA ) 4.0 2.2 1.0
assign (resid 8 and name HN )(resid 41 and name HA ) 4.0 2.2 1.0
assign (resid 8 and name HN )(resid 151 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 8 and name HN )(resid 151 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 8 and name HN )(resid 41 and name HG* ) 3.0 3.6 2.9 !#
assign (resid 8 and name HA )(resid 150 and name HA ) 3.0 1.2 0.3
assign (resid 8 and name HA )(resid 151 and name HB ) 4.0 2.2 1.0
assign (resid 8 and name HA )(resid 151 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 8 and name HB1 )(resid 6 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 8 and name HB1 )(resid 148 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 8 and name HB1 )(resid 148 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 8 and name HB2 )(resid 6 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 8 and name HB2 )(resid 148 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 8 and name HB2 )(resid 148 and name HG# ) 4.0 3.2 2.0 !#
!Thr-9
assign (resid 9 and name HN )(resid 9 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 9 and name HN )(resid 9 and name HA ) 4.0 2.2 1.0
assign (resid 9 and name HA )(resid 9 and name HB ) 2.5 0.7 0.2
assign (resid 9 and name HA )(resid 9 and name HG2# ) 2.5 1.8 1.3 !#
assign (resid 9 and name HN )(resid 8 and name HA ) 2.5 0.7 0.2
assign (resid 9 and name HN )(resid 8 and name HB1 ) 4.0 2.2 1.0
assign (resid 9 and name HN )(resid 8 and name HB2 ) 3.0 1.2 0.5
assign (resid 9 and name HN )(resid 148 and name HA ) 4.0 2.2 1.0
assign (resid 9 and name HN )(resid 150 and name HA ) 4.0 2.2 1.0
assign (resid 9 and name HN )(resid 151 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 9 and name HN )(resid 148 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 9 and name HN )(resid 149 and name HN ) 3.0 1.2 0.5
assign (resid 9 and name HA )(resid 41 and name HA ) 4.0 2.2 1.0
assign (resid 9 and name HB )(resid 39 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 9 and name HB )(resid 149 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 9 and name HG2# )(resid 41 and name HG* ) 2.5 4.6 4.1 ! !#
assign (resid 9 and name HG2# )(resid 151 and name HG* ) 2.5 4.6 4.1 ! !#
assign (resid 9 and name HG2# )(resid 39 and name HB# ) 4.0 4.7 3.5 ! !#
assign (resid 9 and name HG2# )(resid 39 and name HG# ) 4.0 4.7 3.5 ! !#
!Leu-10
assign (resid 10 and name HN )(resid 10 and name HA ) 4.0 2.2 1.0
assign (resid 10 and name HN )(resid 10 and name HB2 ) 3.0 1.2 0.5
assign (resid 10 and name HN )(resid 10 and name HB1 ) 4.0 2.2 1.0
assign (resid 10 and name HN )(resid 10 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 10 and name HN )(resid 10 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 10 and name HA )(resid 10 and name HB2 ) 4.0 2.2 1.0
assign (resid 10 and name HA )(resid 10 and name HB1 ) 3.0 1.2 0.3
assign (resid 10 and name HA )(resid 10 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 10 and name HA )(resid 10 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 10 and name HA )(resid 10 and name HG ) 4.0 2.2 1.0
assign (resid 10 and name HD1# )(resid 10 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 10 and name HD1# )(resid 10 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 10 and name HD2# )(resid 10 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 10 and name HD2# )(resid 10 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 10 and name HN )(resid 9 and name HA ) 2.5 0.7 0.2
assign (resid 10 and name HN )(resid 9 and name HB ) 3.0 1.2 0.5
assign (resid 10 and name HN )(resid 9 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 10 and name HN )(resid 11 and name HN ) 4.0 2.2 1.0
assign (resid 10 and name HN )(resid 42 and name HD# ) 4.0 4.2 3.0 !#
assign (resid 10 and name HN )(resid 18 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 10 and name HN )(resid 18 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 10 and name HA )(resid 148 and name HA ) 3.0 1.2 0.3
assign (resid 10 and name HA )(resid 148 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 10 and name HD2# )(resid 110 and name HD1# ) 4.0 5.2 4.0 ! !#
assign (resid 10 and name HD2# )(resid 146 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 10 and name HD2# )(resid 146 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 10 and name HD2# )(resid 148 and name HB# ) 3.0 3.7 2.8 ! !#
assign (resid 10 and name HD2# )(resid 148 and name HG# ) 3.0 3.7 2.8 ! !#
assign (resid 10 and name HD1# )(resid 18 and name HD1# ) 4.0 5.2 4.0 ! !#
assign (resid 10 and name HD1# )(resid 60 and name HD1# ) 4.0 5.2 4.0 ! !#
assign (resid 10 and name HD1# )(resid 60 and name HD2# ) 4.0 5.2 4.0 ! !#
!Arg-11
assign (resid 11 and name HN )(resid 11 and name HA ) 2.5 0.7 0.2
assign (resid 11 and name HN )(resid 11 and name HB# ) 3.0 1.8 1.1 !#
assign (resid 11 and name HN )(resid 11 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 11 and name HA )(resid 11 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 11 and name HB# )(resid 11 and name HD# ) 4.0 4.2 3.0 ! !#
assign (resid 11 and name HN )(resid 10 and name HA ) 2.5 0.7 0.2
assign (resid 11 and name HN )(resid 10 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 11 and name HN )(resid 10 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 11 and name HN )(resid 10 and name HB2 ) 4.0 2.2 1.0
assign (resid 11 and name HN )(resid 10 and name HB1 ) 3.0 1.2 0.5
assign (resid 11 and name HN )(resid 17 and name HA ) 4.0 2.2 1.0
assign (resid 11 and name HN )(resid 148 and name HA ) 3.0 1.2 0.5
assign (resid 11 and name HN )(resid 147 and name HN ) 3.0 1.2 0.5
assign (resid 11 and name HN )(resid 146 and name HD2 ) 4.0 2.2 1.0
assign (resid 11 and name HN )(resid 18 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 11 and name HN )(resid 18 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 11 and name HA )(resid 17 and name HA ) 2.5 0.7 0.2
assign (resid 11 and name HA )(resid 18 and name HD1# ) 4.0 3.7 2.5 !#
!Asp-12
assign (resid 12 and name HN )(resid 12 and name HA ) 4.0 2.2 1.0
assign (resid 12 and name HN )(resid 12 and name HB2 ) 4.0 2.2 1.0
assign (resid 12 and name HN )(resid 12 and name HB1 ) 2.5 0.7 0.2
assign (resid 12 and name HA )(resid 12 and name HB2 ) 3.0 1.2 0.3
assign (resid 12 and name HA )(resid 12 and name HB1 ) 3.0 1.2 0.3
assign (resid 12 and name HN )(resid 11 and name HA ) 2.5 0.7 0.2
assign (resid 12 and name HN )(resid 12 and name HB# ) 3.0 1.8 1.1 !#
assign (resid 12 and name HN )(resid 13 and name HN ) 4.0 2.2 1.0
assign (resid 12 and name HN )(resid 16 and name HN ) 4.0 2.2 1.0
assign (resid 12 and name HN )(resid 15 and name HA ) 4.0 2.2 1.0
assign (resid 12 and name HN )(resid 17 and name HA ) 4.0 2.2 1.0
assign (resid 12 and name HN )(resid 18 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 12 and name HN )(resid 146 and name HD2 ) 4.0 2.2 1.0
assign (resid 12 and name HA )(resid 146 and name HA ) 2.5 0.7 0.2
assign (resid 12 and name HB2 )(resid 143 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 12 and name HB1 )(resid 143 and name HG2# ) 4.0 3.7 2.5 !#
!Ser-13
assign (resid 13 and name HN )(resid 13 and name HA ) 2.5 0.7 0.2
assign (resid 13 and name HN )(resid 13 and name HB1 ) 2.5 0.7 0.2
assign (resid 13 and name HA )(resid 13 and name HB2 ) 2.5 0.7 0.2
assign (resid 13 and name HA )(resid 13 and name HB1 ) 2.5 0.7 0.2
assign (resid 13 and name HN )(resid 12 and name HA ) 4.0 2.2 1.0
assign (resid 13 and name HN )(resid 12 and name HB2 ) 2.5 0.7 0.2
assign (resid 13 and name HN )(resid 12 and name HB1 ) 4.0 2.2 1.0
assign (resid 13 and name HN )(resid 14 and name HN ) 3.0 1.2 0.5
assign (resid 13 and name HN )(resid 15 and name HN ) 4.0 2.2 1.0
assign (resid 13 and name HN )(resid 146 and name HA ) 4.0 2.2 1.0
assign (resid 13 and name HN )(resid 143 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 13 and name HN )(resid 143 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 13 and name HA )(resid 109 and name HE# ) 3.0 2.2 1.3 !#
assign (resid 13 and name HA )(resid 147 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 13 and name HA )(resid 143 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 13 and name HA )(resid 109 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 13 and name HB2 )(resid 109 and name HE# ) 4.0 3.2 2.0 !#
assign (resid 13 and name HB1 )(resid 109 and name HE# ) 4.0 3.2 2.0 !#
assign (resid 13 and name HB2 )(resid 145 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 13 and name HB1 )(resid 145 and name HB# ) 4.0 3.2 2.0 !#
!Gln-14
assign (resid 14 and name HN )(resid 14 and name HA ) 4.0 2.2 1.0
assign (resid 14 and name HN )(resid 14 and name HB1 ) 3.0 1.2 0.5
assign (resid 14 and name HN )(resid 14 and name HB2 ) 3.0 1.2 0.5
assign (resid 14 and name HN )(resid 14 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 14 and name HA )(resid 14 and name HB2 ) 2.5 0.7 0.2
assign (resid 14 and name HA )(resid 14 and name HB1 ) 4.0 2.2 1.0
assign (resid 14 and name HA )(resid 14 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 14 and name HN )(resid 15 and name HN ) 2.5 0.7 0.2
assign (resid 14 and name HN )(resid 13 and name HA ) 3.0 1.2 0.5
assign (resid 14 and name HN )(resid 143 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 14 and name HN )(resid 143 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 14 and name HB1 )(resid 143 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 14 and name HB2 )(resid 143 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 14 and name HE21 )(resid 143 and name HD# ) 4.0 4.7 2.5 ! !#
assign (resid 14 and name HE22 )(resid 143 and name HD# ) 4.0 4.7 2.5 ! !#
!Gln-15
assign (resid 15 and name HN )(resid 15 and name HA ) 2.5 0.7 0.2
assign (resid 15 and name HN )(resid 15 and name HB1 ) 4.0 2.2 1.0
assign (resid 15 and name HN )(resid 15 and name HB2 ) 3.0 1.2 0.5
assign (resid 15 and name HN )(resid 15 and name HG1 ) 3.0 2.2 1.5 !#
assign (resid 15 and name HN )(resid 15 and name HG2 ) 3.0 2.2 1.5 !#
assign (resid 15 and name HA )(resid 15 and name HB1 ) 4.0 2.2 1.0
assign (resid 15 and name HA )(resid 15 and name HB2 ) 3.0 1.2 0.3
assign (resid 15 and name HA )(resid 15 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 15 and name HN )(resid 13 and name HA ) 4.0 2.2 1.0
assign (resid 15 and name HN )(resid 14 and name HA ) 4.0 2.2 1.0
assign (resid 15 and name HN )(resid 14 and name HB2 ) 4.0 2.2 1.0
assign (resid 15 and name HN )(resid 14 and name HB1 ) 3.0 1.2 0.5
assign (resid 15 and name HA )(resid 11 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 15 and name HA )(resid 11 and name HG# ) 3.0 2.2 1.3 !#
assign (resid 15 and name HA )(resid 11 and name HB# ) 4.0 3.2 2.0 !#
!Lys-16
assign (resid 16 and name HN )(resid 16 and name HA ) 4.0 2.2 1.0
assign (resid 16 and name HN )(resid 16 and name HB2 ) 3.0 1.2 0.5
assign (resid 16 and name HN )(resid 16 and name HB1 ) 4.0 2.2 1.0
assign (resid 16 and name HN )(resid 16 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 16 and name HA )(resid 16 and name HB2 ) 4.0 2.2 1.0
assign (resid 16 and name HA )(resid 16 and name HB1 ) 3.0 1.2 0.3
assign (resid 16 and name HA )(resid 16 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 16 and name HN )(resid 14 and name HN ) 4.0 2.2 1.0
assign (resid 16 and name HN )(resid 15 and name HA ) 3.0 1.2 0.5
assign (resid 16 and name HN )(resid 15 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 16 and name HN )(resid 15 and name HB1 ) 4.0 2.2 1.0
assign (resid 16 and name HN )(resid 14 and name HB1 ) 4.0 2.2 1.0
assign (resid 16 and name HA )(resid 30 and name HA ) 3.0 1.2 0.3
!Ser-17
assign (resid 17 and name HN )(resid 17 and name HA ) 4.0 2.2 1.0
assign (resid 17 and name HN )(resid 17 and name HB1 ) 4.0 2.2 1.0
assign (resid 17 and name HN )(resid 17 and name HB2 ) 3.0 1.2 0.5
assign (resid 17 and name HA )(resid 17 and name HB1 ) 2.5 0.7 0.2
assign (resid 17 and name HA )(resid 17 and name HB2 ) 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 16 and name HA ) 2.5 0.7 0.2
assign (resid 17 and name HN )(resid 16 and name HB1 ) 4.0 2.2 1.0
assign (resid 17 and name HN )(resid 16 and name HB2 ) 3.0 1.2 0.5
assign (resid 17 and name HN )(resid 16 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 17 and name HA )(resid 18 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 17 and name HN )(resid 29 and name HN ) 3.0 1.2 0.5
assign (resid 17 and name HN )(resid 29 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 17 and name HA )(resid 11 and name HG# ) 2.5 1.7 1.2 !#
assign (resid 17 and name HB1 )(resid 31 and name HD* ) 3.0 3.6 2.7 !#
assign (resid 17 and name HB2 )(resid 31 and name HD* ) 3.0 3.6 2.7 !#
assign (resid 17 and name HB1 )(resid 31 and name HB1 ) 4.0 2.2 1.0
assign (resid 17 and name HB2 )(resid 31 and name HB1 ) 4.0 2.2 1.0
!Leu-18
assign (resid 18 and name HN )(resid 18 and name HA ) 4.0 2.2 1.0
assign (resid 18 and name HN )(resid 18 and name HB2 ) 2.5 0.7 0.2
assign (resid 18 and name HN )(resid 18 and name HB1 ) 4.0 2.2 1.0
assign (resid 18 and name HN )(resid 18 and name HG ) 3.0 1.2 0.5
assign (resid 18 and name HN )(resid 18 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 18 and name HN )(resid 18 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 18 and name HA )(resid 18 and name HB2 ) 4.0 2.2 1.0
assign (resid 18 and name HA )(resid 18 and name HB1 ) 2.5 0.7 0.2
assign (resid 18 and name HA )(resid 18 and name HG ) 4.0 2.2 1.0
assign (resid 18 and name HA )(resid 18 and name HD2# ) 2.5 2.2 1.7 !#
assign (resid 18 and name HA )(resid 18 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 18 and name HD1# )(resid 18 and name HB1 ) 3.0 2.7 1.8 !
assign (resid 18 and name HD2# )(resid 18 and name HB1 ) 3.0 2.7 1.8 !
assign (resid 18 and name HD1# )(resid 18 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 18 and name HD2# )(resid 18 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 18 and name HN )(resid 17 and name HA ) 2.5 0.7 0.2
assign (resid 18 and name HN )(resid 17 and name HB1 ) 3.0 1.2 0.5
assign (resid 18 and name HN )(resid 17 and name HB2 ) 3.0 1.2 0.5
assign (resid 18 and name HN )(resid 19 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 18 and name HN )(resid 40 and name HB ) 4.0 2.2 1.0
assign (resid 18 and name HA )(resid 28 and name HA ) 3.0 1.2 0.3
assign (resid 18 and name HD1# )(resid 10 and name HB2 ) 2.5 2.2 1.7 !
assign (resid 18 and name HD2# )(resid 12 and name HB1 ) 4.0 3.7 2.5 !
!Val-19
assign (resid 19 and name HN )(resid 19 and name HB ) 4.0 2.2 1.0
assign (resid 19 and name HN )(resid 19 and name HG1# ) 2.5 2.2 1.7 !#
assign (resid 19 and name HN )(resid 19 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 19 and name HA )(resid 19 and name HB ) 3.0 1.2 0.3
assign (resid 19 and name HA )(resid 19 and name HG2# ) 4.0 3.3 2.1 !#
assign (resid 19 and name HA )(resid 19 and name HG1# ) 2.5 1.8 1.3 !#
assign (resid 19 and name HN )(resid 18 and name HA ) 2.5 0.7 0.2
assign (resid 19 and name HN )(resid 18 and name HB2 ) 4.0 2.2 1.0
assign (resid 19 and name HN )(resid 18 and name HB1 ) 3.0 1.2 0.5
assign (resid 19 and name HA )(resid 18 and name HB2 ) 4.0 2.2 1.0
assign (resid 19 and name HN )(resid 27 and name HN ) 3.0 1.2 0.5
assign (resid 19 and name HN )(resid 28 and name HA ) 3.0 1.2 0.5
assign (resid 19 and name HA )(resid 40 and name HB ) 4.0 2.2 1.0
assign (resid 19 and name HA )(resid 40 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 19 and name HA )(resid 40 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 19 and name HA )(resid 39 and name HA ) 4.0 2.2 1.0
assign (resid 19 and name HG2# )(resid 29 and name HD2# ) 3.0 4.2 3.3 ! !#
assign (resid 19 and name HG2# )(resid 27 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 19 and name HG2# )(resid 27 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 19 and name HG2# )(resid 38 and name HB# ) 3.0 3.7 2.8 ! !#
assign (resid 19 and name HG1# )(resid 29 and name HD1# ) 3.0 4.2 3.3 ! !#
assign (resid 19 and name HG1# )(resid 31 and name HD* ) 3.0 5.1 4.2 ! !#
assign (resid 19 and name HG1# )(resid 29 and name HG ) 3.0 2.7 1.8 !
assign (resid 19 and name HG2# )(resid 27 and name HE# ) 4.0 4.7 3.5 ! !#
!Met-20
assign (resid 20 and name HN )(resid 20 and name HA ) 3.0 1.2 0.5
assign (resid 20 and name HN )(resid 20 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 20 and name HN )(resid 20 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 20 and name HA )(resid 20 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 20 and name HA )(resid 20 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 20 and name HN )(resid 19 and name HA ) 4.0 2.2 1.0
assign (resid 20 and name HN )(resid 19 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 20 and name HN )(resid 19 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 20 and name HN )(resid 27 and name HN ) 4.0 2.2 1.0
assign (resid 20 and name HN )(resid 40 and name HN ) 4.0 2.2 1.0
assign (resid 20 and name HN )(resid 40 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 20 and name HN )(resid 40 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 20 and name HA )(resid 26 and name HD* ) 2.5 3.1 2.6 !#
assign (resid 20 and name HA )(resid 40 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 20 and name HA )(resid 26 and name HA ) 2.5 0.7 0.2
assign (resid 20 and name HG# )(resid 26 and name HD* ) 4.0 5.6 4.4 ! !#
!Ser-21
assign (resid 21 and name HN )(resid 21 and name HB# ) 3.0 1.8 1.1 !#
assign (resid 21 and name HN )(resid 21 and name HA ) 4.0 2.2 1.0
assign (resid 21 and name HA )(resid 21 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 21 and name HN )(resid 22 and name HN ) 3.0 1.2 0.5
assign (resid 21 and name HN )(resid 20 and name HA ) 2.5 0.7 0.2
assign (resid 21 and name HN )(resid 20 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 21 and name HN )(resid 20 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 21 and name HN )(resid 19 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 21 and name HN )(resid 26 and name HA ) 3.0 1.2 0.5
assign (resid 21 and name HB1 )(resid 25 and name HB1 ) 4.0 2.2 1.0
assign (resid 21 and name HB2 )(resid 25 and name HB1 ) 4.0 2.2 1.0
assign (resid 21 and name HB# )(resid 25 and name HB2 ) 4.0 3.2 2.0 !
assign (resid 21 and name HB# )(resid 25 and name HG# ) 4.0 4.2 3.0 ! !#
assign (resid 21 and name HN )(resid 27 and name HN ) 4.0 2.2 1.0
assign (resid 21 and name HN )(resid 27 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 21 and name HB1 )(resid 27 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 21 and name HB2 )(resid 27 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 21 and name HB1 )(resid 27 and name HD# ) 2.5 1.7 1.2 !#
assign (resid 21 and name HB2 )(resid 27 and name HD# ) 2.5 1.7 1.2 !#
!Gly-22
assign (resid 22 and name HN )(resid 22 and name HA1 ) 2.5 0.7 0.2 !#
assign (resid 22 and name HN )(resid 22 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 22 and name HN )(resid 21 and name HA ) 3.0 1.2 0.5
assign (resid 22 and name HN )(resid 20 and name HA ) 4.0 2.2 1.0
assign (resid 22 and name HN )(resid 26 and name HA ) 4.0 2.2 1.0
assign (resid 22 and name HN )(resid 21 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 22 and name HN )(resid 23 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 22 and name HN )(resid 25 and name HN ) 4.0 2.2 1.0
assign (resid 22 and name HN )(resid 25 and name HB1 ) 4.0 2.2 1.0
assign (resid 22 and name HN )(resid 25 and name HB2 ) 4.0 2.2 1.0
assign (resid 22 and name HA1 )(resid 23 and name HD1 ) 3.0 1.2 0.3 ! !#
assign (resid 22 and name HA1 )(resid 23 and name HD2 ) 3.0 1.2 0.3 ! !#
assign (resid 22 and name HA2 )(resid 23 and name HD1 ) 3.0 1.2 0.3 ! !#
assign (resid 22 and name HA2 )(resid 23 and name HD2 ) 3.0 1.2 0.3 ! !#
!Pro-23
assign (resid 23 and name HA )(resid 23 and name HB1 ) 2.5 0.7 0.2
assign (resid 23 and name HA )(resid 23 and name HB2 ) 3.0 1.2 0.3
assign (resid 23 and name HA )(resid 23 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 23 and name HD1 )(resid 23 and name HG1 ) 2.5 2.7 2.2 ! !#
assign (resid 23 and name HD1 )(resid 23 and name HG2 ) 2.5 2.7 2.2 ! !#
assign (resid 23 and name HD2 )(resid 23 and name HG1 ) 2.5 2.7 2.2 ! !#
assign (resid 23 and name HD2 )(resid 23 and name HG2 ) 2.5 2.7 2.2 ! !#
assign (resid 23 and name HD1 )(resiud 23 and name HB1 ) 4.0 3.2 2.0 !
assign (resid 23 and name HD1 )(resiud 23 and name HB2 ) 4.0 3.2 2.0 !
assign (resid 23 and name HD2 )(resiud 23 and name HB1 ) 4.0 3.2 2.0 !
assign (resid 23 and name HD2 )(resiud 23 and name HB2 ) 4.0 3.2 2.0 !
!Tyr-24
assign (resid 24 and name HN )(resid 24 and name HD1 ) 3.0 1.2 0.5
assign (resid 24 and name HN )(resid 24 and name HA ) 3.0 1.2 0.5
assign (resid 24 and name HN )(resid 24 and name HB1 ) 4.0 2.2 1.0
assign (resid 24 and name HN )(resid 24 and name HB2 ) 3.0 1.2 0.5
assign (resid 24 and name HA )(resid 24 and name HB1 ) 4.0 2.2 1.0
assign (resid 24 and name HA )(resid 24 and name HB2 ) 4.0 2.2 1.0
assign (resid 24 and name HD2 )(resid 24 and name HA ) 2.5 0.7 0.2
assign (resid 24 and name HD2 )(resid 24 and name HB1 ) 2.5 0.7 0.2
assign (resid 24 and name HD1 )(resid 24 and name HB2 ) 2.5 0.7 0.2
assign (resid 24 and name HE2 )(resid 24 and name HB1 ) 4.0 2.2 1.0
assign (resid 24 and name HE1 )(resid 24 and name HB2 ) 4.0 2.2 1.0
assign (resid 24 and name HN )(resid 25 and name HN ) 2.5 0.7 0.2
assign (resid 24 and name HN )(resid 23 and name HB1 ) 3.0 1.2 0.5
assign (resid 24 and name HN )(resid 23 and name HB2 ) 3.0 1.2 0.5
assign (resid 24 and name HN )(resid 22 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 24 and name HN )(resid 23 and name HG1 ) 3.0 2.2 1.5 !#
assign (resid 24 and name HN )(resid 23 and name HG2 ) 3.0 2.2 1.5 !#
assign (resid 24 and name HN )(resid 23 and name HD# ) 3.0 2.2 1.5 !#
assign (resid 24 and name HD1 )(resid 23 and name HB1 ) 4.0 2.2 1.0
assign (resid 24 and name HD1 )(resid 23 and name HB2 ) 3.0 1.2 0.3
assign (resid 24 and name HD1 )(resid 23 and name HG# ) 3.0 2.2 1.3 !#
assign (resid 24 and name HE1 )(resid 23 and name HB2 ) 3.0 1.2 0.3
assign (resid 24 and name HE1 )(resid 23 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 24 and name HA )(resid 67 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 24 and name HA )(resid 67 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 24 and name HA )(resid 82 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 24 and name HA )(resid 82 and name HB2 ) 3.0 1.2 0.3
assign (resid 24 and name HD2 )(resid 67 and name HD* ) 2.5 3.1 2.6 !#
assign (resid 24 and name HD2 )(resid 82 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 24 and name HD2 )(resid 82 and name HB2 ) 3.0 1.2 0.3
assign (resid 24 and name HD2 )(resid 82 and name HB1 ) 4.0 2.2 1.0
assign (resid 24 and name HE2 )(resid 82 and name HB1 ) 4.0 2.2 1.0
assign (resid 24 and name HE2 )(resid 82 and name HB2 ) 4.0 2.2 1.0
assign (resid 24 and name HE2 )(resid 84 and name HB# ) 4.0 3.2 2.0 !#
!Glu-25
assign (resid 25 and name HN )(resid 25 and name HB1 ) 4.0 2.2 1.0
assign (resid 25 and name HN )(resid 25 and name HB2 ) 3.0 1.2 0.5
assign (resid 25 and name HN )(resid 25 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 25 and name HA )(resid 25 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 25 and name HA )(resid 25 and name HB1 ) 3.0 1.2 0.3
assign (resid 25 and name HA )(resid 25 and name HB2 ) 2.5 0.7 0.2
assign (resid 25 and name HN )(resid 22 and name HN ) 4.0 2.2 1.0
assign (resid 25 and name HN )(resid 26 and name HN ) 4.0 2.2 1.0
assign (resid 25 and name HN )(resid 24 and name HA ) 3.0 1.2 0.5
assign (resid 25 and name HN )(resid 20 and name HA ) 4.0 2.2 1.0
assign (resid 25 and name HN )(resid 24 and name HB1 ) 4.0 2.2 1.0
assign (resid 25 and name HN )(resid 24 and name HB2 ) 4.0 2.2 1.0
assign (resid 25 and name HN )(resid 23 and name HA ) 4.0 2.2 1.0
assign (resid 25 and name HN )(resid 26 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 25 and name HN )(resid 82 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 25 and name HA )(resid 82 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 25 and name HN )(resid 82 and name HB2 ) 4.0 2.2 1.0
!Leu-26
assign (resid 26 and name HN )(resid 26 and name HA ) 3.0 1.2 0.5
assign (resid 26 and name HN )(resid 26 and name HB2 ) 2.5 0.7 0.2
assign (resid 26 and name HN )(resid 26 and name HB1 ) 4.0 2.2 1.0
assign (resid 26 and name HN )(resid 26 and name HD# ) 3.0 2.9 2.2 !#
assign (resid 26 and name HA )(resid 26 and name HB2 ) 4.0 2.2 1.0
assign (resid 26 and name HA )(resid 26 and name HB1 ) 3.0 1.2 0.3
assign (resid 26 and name HA )(resid 26 and name HD* ) 2.5 2.4 1.9 !#
assign (resid 26 and name HD* )(resid 26 and name HB2 ) 2.5 2.4 1.9 !
assign (resid 26 and name HD* )(resid 26 and name HB1 ) 4.0 3.9 2.7 !
assign (resid 26 and name HN )(resid 27 and name HN ) 4.0 2.2 1.0
assign (resid 26 and name HN )(resid 25 and name HA ) 4.0 2.2 1.0
assign (resid 26 and name HN )(resid 25 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 26 and name HN )(resid 25 and name HB1 ) 3.0 1.2 0.5
assign (resid 26 and name HN )(resid 25 and name HB2 ) 4.0 2.2 1.0
assign (resid 26 and name HN )(resid 82 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 26 and name HN )(resid 132 and name HN ) 4.0 2.2 1.0
assign (resid 26 and name HN )(resid 132 and name HB ) 4.0 2.2 1.0
assign (resid 26 and name HD* )(resid 132 and name HB ) 4.0 4.6 3.4 !
assign (resid 26 and name HD* )(resid 62 and name HD2# ) 3.0 5.1 4.2 ! !#
assign (resid 26 and name HD* )(resid 69 and name HD* ) 3.0 6.0 5.1 ! !#
!Lys-27
assign (resid 27 and name HN )(resid 27 and name HB# ) 3.0 1.8 1.1 !#
assign (resid 27 and name HN )(resid 27 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 27 and name HA )(resid 27 and name HB# ) 2.5 1.7 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 26 and name HA ) 2.5 0.7 0.2
assign (resid 27 and name HN )(resid 26 and name HB2 ) 4.0 2.2 1.0
assign (resid 27 and name HN )(resid 26 and name HB1 ) 2.5 0.7 0.2
assign (resid 27 and name HN )(resid 26 and name HD* ) 3.0 3.6 2.9 !#
assign (resid 27 and name HN )(resid 18 and name HA ) 4.0 2.2 1.0
assign (resid 27 and name HN )(resid 20 and name HA ) 4.0 2.2 1.0
assign (resid 27 and name HN )(resid 19 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 27 and name HA )(resid 132 and name HG* ) 2.5 3.1 2.6 !#
assign (resid 27 and name HA )(resid 131 and name HA ) 2.5 0.7 0.2
!Ala-28
assign (resid 28 and name HN )(resid 28 and name HB# ) 2.5 1.8 1.3 !#
assign (resid 28 and name HN )(resid 28 and name HA ) 4.0 2.2 1.0
assign (resid 28 and name HN )(resid 27 and name HA ) 2.5 0.7 0.2
assign (resid 28 and name HN )(resid 27 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 28 and name HN )(resid 27 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 28 and name HN )(resid 130 and name HN ) 4.0 2.2 1.0
assign (resid 28 and name HN )(resid 132 and name HN ) 4.0 2.2 1.0
assign (resid 28 and name HN )(resid 131 and name HA ) 4.0 2.2 1.0
assign (resid 28 and name HN )(resid 132 and name HG* ) 3.0 3.6 2.9 !#
assign (resid 28 and name HN )(resid 19 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 28 and name HN )(resid 18 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 28 and name HB# )(resid 16 and name HB# ) 4.0 4.7 3.5 ! !#
assign (resid 28 and name HB# )(resid 16 and name HD# ) 4.0 4.7 3.5 ! !#
assign (resid 28 and name HB# )(resid 16 and name HE# ) 3.0 3.7 2.8 ! !#
assign (resid 28 and name HB# )(resid 18 and name HD2# ) 3.0 4.2 3.3 ! !#
assign (resid 28 and name HB# )(resid 132 and name HG* ) 3.0 5.1 4.2 ! !#
assign (resid 28 and name HB# )(resid 124 and name HG2# ) 2.5 3.7 3.2 ! !#
!Leu-29
assign (resid 29 and name HN )(resid 29 and name HA ) 4.0 2.2 1.0
assign (resid 29 and name HN )(resid 29 and name HB1 ) 3.0 1.2 0.5
assign (resid 29 and name HN )(resid 29 and name HB2 ) 4.0 2.2 1.0
assign (resid 29 and name HN )(resid 29 and name HG# ) 4.0 2.2 1.0
assign (resid 29 and name HN )(resid 29 and name HD1# ) 2.5 2.2 1.7 !#
assign (resid 29 and name HA )(resid 29 and name HB1 ) 2.5 0.7 0.2
assign (resid 29 and name HA )(resid 29 and name HB2 ) 4.0 2.2 1.0
assign (resid 29 and name HA )(resid 29 and name HG ) 4.0 2.2 1.0
assign (resid 29 and name HA )(resid 29 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 29 and name HA )(resid 29 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 29 and name HD1# )(resid 29 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 29 and name HD1# )(resid 29 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 29 and name HD2# )(resid 29 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 29 and name HD2# )(resid 29 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 29 and name HN )(resid 28 and name HA ) 2.5 0.7 0.2
assign (resid 29 and name HN )(resid 28 and name HB# ) 2.5 2.2 1.7 !#
assign (resid 29 and name HA )(resid 28 and name HB# ) 4.0 3.7 2.5 !#
assign (resid 29 and name HN )(resid 30 and name HN ) 4.0 2.2 1.0
assign (resid 29 and name HN )(resid 18 and name HA ) 4.0 2.2 1.0
assign (resid 29 and name HN )(resid 16 and name HA ) 4.0 2.2 1.0
assign (resid 29 and name HN )(resid 19 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 29 and name HA )(resid 128 and name HA ) 4.0 2.2 1.0
!His-30
assign (resid 30 and name HN )(resid 30 and name HB1 ) 4.0 2.2 1.0
assign (resid 30 and name HN )(resid 30 and name HB2 ) 3.0 1.2 0.5
assign (resid 30 and name HA )(resid 30 and name HB1 ) 4.0 2.2 1.0
assign (resid 30 and name HA )(resid 30 and name HB2 ) 4.0 2.2 1.0
assign (resid 30 and name HB1 )(resid 30 and name HD2 ) 4.0 2.2 1.0
assign (resid 30 and name HN )(resid 29 and name HA ) 3.0 1.2 0.5
assign (resid 30 and name HN )(resid 29 and name HB1 ) 3.0 1.2 0.5
assign (resid 30 and name HN )(resid 29 and name HB2 ) 4.0 2.2 1.0
assign (resid 30 and name HN )(resid 29 and name HG ) 4.0 2.2 1.0
assign (resid 30 and name HN )(resid 29 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 30 and name HN )(resid 29 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 30 and name HN )(resid 16 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 30 and name HE1 )(resid 16 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 30 and name HE1 )(resid 16 and name HD# ) 3.0 2.2 1.3 !#
assign (resid 30 and name HE1 )(resid 14 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 30 and name HD2 )(resid 15 and name HB1 ) 4.0 2.2 1.0
assign (resid 30 and name HD2 )(resid 16 and name HA ) 4.0 2.2 1.0
assign (resid 30 and name HD2 )(resid 16 and name HG# ) 4.0 3.2 2.0 !#
!Leu-31
assign (resid 31 and name HN )(resid 31 and name HA ) 4.0 2.2 1.0
assign (resid 31 and name HN )(resid 31 and name HB1 ) 3.0 1.2 0.5
assign (resid 31 and name HN )(resid 31 and name HB2 ) 3.0 1.2 0.5
assign (resid 31 and name HA )(resid 31 and name HB1 ) 4.0 2.2 1.0
assign (resid 31 and name HA )(resid 31 and name HB2 ) 3.0 1.2 0.3
assign (resid 31 and name HA )(resid 31 and name HD1# ) 2.5 2.2 1.7 !#
assign (resid 31 and name HN )(resid 31 and name HG ) 4.0 2.2 1.0
assign (resid 31 and name HN )(resid 32 and name HN ) 4.0 2.2 1.0
assign (resid 31 and name HN )(resid 30 and name HB1 ) 4.0 2.2 1.0
assign (resid 31 and name HN )(resid 30 and name HB2 ) 4.0 2.2 1.0
assign (resid 31 and name HN )(resid 29 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 31 and name HA )(resid 32 and name HB1 ) 4.0 2.2 1.0
assign (resid 31 and name HN )(resid 17 and name HN ) 4.0 2.2 1.0
assign (resid 31 and name HN )(resid 16 and name HA ) 4.0 2.2 1.0
assign (resid 31 and name HD1# )(resid 38 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 31 and name HD2# )(resid 38 and name HG# ) 4.0 4.7 3.5 ! !#
!Gln-32
assign (resid 32 and name HN )(resid 32 and name HA ) 3.0 1.2 0.5
assign (resid 32 and name HN )(resid 32 and name HB2 ) 4.0 2.2 1.0
assign (resid 32 and name HN )(resid 32 and name HB1 ) 3.0 1.2 0.5
assign (resid 32 and name HN )(resid 32 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 32 and name HA )(resid 32 and name HB2 ) 2.5 0.7 0.2
assign (resid 32 and name HA )(resid 32 and name HB1 ) 4.0 2.2 1.0
assign (resid 32 and name HA )(resid 32 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 32 and name HN )(resid 33 and name HN ) 4.0 2.2 1.0
assign (resid 32 and name HN )(resid 35 and name HN ) 4.0 2.2 1.0
assign (resid 32 and name HN )(resid 31 and name HA ) 4.0 2.2 1.0
assign (resid 32 and name HN )(resid 31 and name HB1 ) 4.0 2.2 1.0
assign (resid 32 and name HN )(resid 31 and name HB2 ) 4.0 2.2 1.0
assign (resid 32 and name HN )(resid 31 and name HD1# ) 2.5 2.2 1.7 !#
assign (resid 32 and name HN )(resid 35 and name HB2 ) 4.0 2.2 1.0
assign (resid 32 and name HN )(resid 35 and name HB1 ) 3.0 1.2 0.5
!Gly-33
assign (resid 33 and name HN )(resid 33 and name HA1 ) 3.0 1.2 0.3 !#
assign (resid 33 and name HN )(resid 33 and name HA2 ) 2.5 0.7 0.2 !#
assign (resid 33 and name HN )(resid 34 and name HN ) 4.0 2.2 1.0
assign (resid 33 and name HN )(resid 32 and name HA ) 2.5 0.7 0.2
assign (resid 33 and name HN )(resid 32 and name HB2 ) 4.0 2.2 1.0
assign (resid 33 and name HN )(resid 32 and name HB1 ) 4.0 2.2 1.0
assign (resid 33 and name HN )(resid 32 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 33 and name HN )(resid 32 and name HE2# ) 4.0 3.2 2.0 !#
!Gln-34
assign (resid 34 and name HN )(resid 34 and name HA ) 3.0 1.2 0.5
assign (resid 34 and name HN )(resid 34 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 34 and name HN )(resid 34 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 34 and name HA )(resid 34 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 34 and name HA )(resid 34 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 34 and name HN )(resid 35 and name HN ) 3.0 1.2 0.5
assign (resid 34 and name HN )(resid 33 and name HA1 ) 2.5 0.7 0.2 !#
assign (resid 34 and name HN )(resid 33 and name HA2 ) 2.5 0.7 0.2 !#
!Asp-35
assign (resid 35 and name HN )(resid 35 and name HA ) 3.0 1.2 0.5
assign (resid 35 and name HN )(resid 35 and name HB2 ) 2.5 0.7 0.2
assign (resid 35 and name HN )(resid 35 and name HB1 ) 3.0 1.2 0.5
assign (resid 35 and name HA )(resid 35 and name HB2 ) 2.5 0.7 0.2
assign (resid 35 and name HA )(resid 35 and name HB1 ) 4.0 2.2 1.0
assign (resid 35 and name HN )(resid 36 and name HN ) 2.5 0.7 0.2
assign (resid 35 and name HN )(resid 34 and name HA ) 3.0 1.2 0.5
assign (resid 35 and name HN )(resid 33 and name HA1 ) 3.0 1.2 0.5 !#
assign (resid 35 and name HN )(resid 33 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 35 and name HN )(resid 34 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 35 and name HN )(resid 34 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 35 and name HN )(resid 31 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 35 and name HA )(resid 34 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 35 and name HA )(resid 31 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 35 and name HB1 )(resid 31 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 35 and name HB2 )(resid 31 and name HD1# ) 4.0 3.7 2.5 !#
!Met-36
assign (resid 36 and name HN )(resid 36 and name HA ) 3.0 1.2 0.5
assign (resid 36 and name HN )(resid 36 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 36 and name HN )(resid 36 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 36 and name HA )(resid 36 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 36 and name HA )(resid 36 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 36 and name HN )(resid 37 and name HN ) 3.0 1.2 0.5
assign (resid 36 and name HN )(resid 35 and name HA ) 3.0 1.2 0.5
assign (resid 36 and name HN )(resid 34 and name HA ) 4.0 2.2 1.0
assign (resid 36 and name HN )(resid 35 and name HB2 ) 4.0 2.2 1.0
assign (resid 36 and name HN )(resid 35 and name HB1 ) 3.0 1.2 0.5
assign (resid 36 and name HN )(resid 31 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 36 and name HN )(resid 31 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 36 and name HA )(resid 31 and name HB2 ) 4.0 2.2 1.0
assign (resid 36 and name HA )(resid 31 and name HB1 ) 4.0 2.2 1.0
assign (resid 36 and name HA )(resid 31 and name HG ) 4.0 2.2 1.0
assign (resid 36 and name HA )(resid 31 and name HD1# ) 2.5 2.2 1.7 !#
assign (resid 36 and name HA )(resid 31 and name HD2# ) 2.5 2.2 1.7 !#
!Glu-37
assign (resid 37 and name HN )(resid 37 and name HA ) 2.5 0.7 0.2
assign (resid 37 and name HN )(resid 37 and name HB1 ) 2.5 0.7 0.2
assign (resid 37 and name HN )(resid 37 and name HB2 ) 4.0 2.2 1.0
assign (resid 37 and name HN )(resid 37 and name HG# ) 2.5 1.7 1.2 !#
assign (resid 37 and name HA )(resid 37 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 37 and name HA )(resid 37 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 37 and name HN )(resid 38 and name HN ) 3.0 1.2 0.5
assign (resid 37 and name HN )(resid 39 and name HN ) 4.0 2.2 1.0
assign (resid 37 and name HN )(resid 35 and name HA ) 4.0 2.2 1.0
assign (resid 37 and name HN )(resid 36 and name HG# ) 4.0 3.2 2.0 !#
!Gln-38
assign (resid 38 and name HN )(resid 38 and name HA ) 2.5 0.7 0.2
assign (resid 38 and name HN )(resid 38 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 38 and name HN )(resid 38 and name HG# ) 2.5 1.7 1.2 !#
assign (resid 38 and name HA )(resid 38 and name HB1 ) 3.0 1.2 0.3
assign (resid 38 and name HA )(resid 38 and name HB2 ) 3.0 1.2 0.3
assign (resid 38 and name HA )(resid 38 and name HG1 ) 4.0 2.8 1.6 !#
assign (resid 38 and name HA )(resid 38 and name HG2 ) 4.0 2.8 1.6 !#
assign (resid 38 and name HN )(resid 39 and name HN ) 2.5 0.7 0.2
assign (resid 38 and name HN )(resid 36 and name HN ) 4.0 2.2 1.0
assign (resid 38 and name HE21 )(resid 31 and name HD1# ) 4.0 4.7 2.5 ! !#
assign (resid 38 and name HE22 )(resid 31 and name HD1# ) 4.0 4.7 2.5 ! !#
assign (resid 38 and name HE21 )(resid 31 and name HD2# ) 4.0 4.7 2.5 ! !#
assign (resid 38 and name HE22 )(resid 31 and name HD2# ) 4.0 4.7 2.5 ! !#
!Gln-39
assign (resid 39 and name HN )(resid 39 and name HA ) 3.0 1.2 0.5
assign (resid 39 and name HN )(resid 39 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 39 and name HN )(resid 39 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 39 and name HA )(resid 39 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 39 and name HN )(resid 40 and name HN ) 4.0 2.2 1.0
assign (resid 39 and name HN )(resid 37 and name HN ) 4.0 2.2 1.0
assign (resid 39 and name HN )(resid 38 and name HA ) 2.5 0.7 0.2
assign (resid 39 and name HN )(resid 38 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 39 and name HA )(resid 40 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 39 and name HN )(resid 19 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 39 and name HN )(resid 31 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 39 and name HA )(resid 19 and name HG1# ) 3.0 2.7 1.8 !#
assign (resid 39 and name HA )(resid 31 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 39 and name HE21 )(resid 37 and name HA ) 4.0 3.2 1.0 !
assign (resid 39 and name HE21 )(resid 9 and name HG2# ) 3.0 3.7 1.8 ! !#
assign (resid 39 and name HE22 )(resid 9 and name HG2# ) 4.0 4.7 2.5 ! !#
!Val-40
assign (resid 40 and name HN )(resid 40 and name HA ) 3.0 1.2 0.5
assign (resid 40 and name HN )(resid 40 and name HB ) 3.0 1.2 0.5
assign (resid 40 and name HN )(resid 40 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 40 and name HN )(resid 40 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 40 and name HA )(resid 40 and name HB ) 3.0 1.2 0.3
assign (resid 40 and name HA )(resid 40 and name HG2# ) 2.5 1.8 1.3 !#
assign (resid 40 and name HA )(resid 40 and name HG1# ) 2.5 1.8 1.3 !#
assign (resid 40 and name HN )(resid 41 and name HN ) 4.0 2.2 1.0
assign (resid 40 and name HN )(resid 39 and name HA ) 2.5 0.7 0.2
assign (resid 40 and name HN )(resid 39 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 40 and name HN )(resid 39 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 40 and name HA )(resid 41 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 40 and name HN )(resid 19 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 40 and name HB )(resid 18 and name HB1 ) 4.0 2.2 1.0
assign (resid 40 and name HG2# )(resid 20 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 40 and name HG2# )(resid 26 and name HD* ) 4.0 6.1 4.9 ! !#
assign (resid 40 and name HG2# )(resid 18 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 40 and name HG2# )(resid 18 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 40 and name HG1# )(resid 62 and name HD2# ) 4.0 5.2 4.0 ! !#
assign (resid 40 and name HG1# )(resid 62 and name HG ) 4.0 3.7 2.5 !
assign (resid 40 and name HG1# )(resid 20 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 40 and name HG1# )(resid 62 and name HD1# ) 4.0 5.2 4.0 ! !#
!Val-41
assign (resid 41 and name HN )(resid 41 and name HA ) 4.0 2.2 1.0
assign (resid 41 and name HN )(resid 41 and name HB ) 4.0 2.2 1.0
assign (resid 41 and name HN )(resid 41 and name HG* ) 2.5 2.4 1.9 !#
assign (resid 41 and name HA )(resid 41 and name HB ) 4.0 2.2 1.0
assign (resid 41 and name HA )(resid 41 and name HG* ) 2.5 1.3 0.8 !#
assign (resid 41 and name HN )(resid 42 and name HN ) 4.0 2.2 1.0
assign (resid 41 and name HN )(resid 40 and name HA ) 2.5 0.7 0.2
assign (resid 41 and name HN )(resid 40 and name HB ) 3.0 1.2 0.5
assign (resid 41 and name HN )(resid 40 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 41 and name HN )(resid 40 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 41 and name HA )(resid 39 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 41 and name HG* )(resid 39 and name HG# ) 2.5 4.1 3.6 ! !#
assign (resid 41 and name HN )(resid 63 and name HN ) 4.0 2.2 1.0
assign (resid 41 and name HA )(resid 151 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 41 and name HA )(resid 9 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 41 and name HG* )(resid 63 and name HB# ) 3.0 4.6 3.7 ! !#
assign (resid 41 and name HG* )(resid 151 and name HG* ) 4.0 7.0 5.8 ! !#
!Phe-42
assign (resid 42 and name HN )(resid 42 and name HD2 ) 3.0 1.2 0.5
assign (resid 42 and name HN )(resid 42 and name HA ) 4.0 2.2 1.0
assign (resid 42 and name HN )(resid 42 and name HB2 ) 2.5 0.7 0.2
assign (resid 42 and name HN )(resid 42 and name HB1 ) 4.0 2.2 1.0
assign (resid 42 and name HA )(resid 42 and name HB2 ) 4.0 2.2 1.0
assign (resid 42 and name HA )(resid 42 and name HB1 ) 2.5 0.7 0.2
assign (resid 42 and name HA )(resid 42 and name HD1 ) 3.0 1.2 0.3
assign (resid 42 and name HD1 )(resid 42 and name HB2 ) 3.0 1.2 0.5
assign (resid 42 and name HD2 )(resid 42 and name HB1 ) 4.0 2.2 1.0
assign (resid 42 and name HN )(resid 43 and name HN ) 4.0 2.2 1.0
assign (resid 42 and name HN )(resid 41 and name HA ) 2.5 0.7 0.2
assign (resid 42 and name HN )(resid 41 and name HB ) 4.0 2.2 1.0
assign (resid 42 and name HN )(resid 41 and name HG* ) 2.5 3.1 2.6 !#
assign (resid 42 and name HA )(resid 40 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HD# )(resid 40 and name HG1# ) 4.0 5.7 4.5 ! !#
assign (resid 42 and name HE# )(resid 40 and name HG* ) 4.0 6.6 5.4 ! !#
assign (resid 42 and name HZ )(resid 40 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 42 and name HA )(resid 62 and name HA ) 2.5 0.7 0.2
assign (resid 42 and name HA )(resid 62 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HD1 )(resid 60 and name HB2 ) 4.0 2.2 1.0
assign (resid 42 and name HD2 )(resid 10 and name HB1 ) 4.0 2.2 1.0
assign (resid 42 and name HD2 )(resid 10 and name HB2 ) 4.0 2.2 1.0
assign (resid 42 and name HD1 )(resid 62 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HD1 )(resid 69 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 42 and name HD2 )(resid 10 and name HG ) 3.0 1.2 0.3
assign (resid 42 and name HD2 )(resid 10 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HD2 )(resid 9 and name HA ) 2.5 0.7 0.2
assign (resid 42 and name HD1 )(resid 62 and name HA ) 4.0 2.2 1.0
assign (resid 42 and name HD1 )(resid 60 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HE2 )(resid 18 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HE2 )(resid 18 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HE1 )(resid 26 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HE1 )(resid 26 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HE1 )(resid 69 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HE1 )(resid 69 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HE1 )(resid 62 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HE1 )(resid 82 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HE2 )(resid 9 and name HA ) 3.0 1.2 0.3
assign (resid 42 and name HZ )(resid 69 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HZ )(resid 69 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HZ )(resid 18 and name HD* ) 3.0 3.6 2.7 !#
assign (resid 42 and name HZ )(resid 26 and name HD* ) 3.0 3.6 2.7 !#
assign (resid 42 and name HZ )(resid 62 and name HD2# ) 4.0 3.7 2.5 !#
!Ser-43
assign (resid 43 and name HN )(resid 43 and name HA ) 4.0 2.2 1.0
assign (resid 43 and name HN )(resid 43 and name HB1 ) 3.0 1.2 0.5
assign (resid 43 and name HN )(resid 43 and name HB2 ) 4.0 2.2 1.0
assign (resid 43 and name HA )(resid 43 and name HB1 ) 3.0 1.2 0.3
assign (resid 43 and name HA )(resid 43 and name HB2 ) 2.5 0.7 0.2
assign (resid 43 and name HN )(resid 42 and name HD1 ) 4.0 2.2 1.0
assign (resid 43 and name HN )(resid 42 and name HA ) 2.5 0.7 0.2
assign (resid 43 and name HN )(resid 42 and name HB2 ) 4.0 2.2 1.0
assign (resid 43 and name HN )(resid 42 and name HB1 ) 3.0 1.2 0.5
assign (resid 43 and name HN )(resid 61 and name HN ) 4.0 2.2 1.0
assign (resid 43 and name HN )(resid 63 and name HN ) 4.0 2.2 1.0
assign (resid 43 and name HN )(resid 62 and name HA ) 4.0 2.2 1.0
assign (resid 43 and name HB2 )(resid 63 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 43 and name HB2 )(resid 63 and name HA ) 4.0 2.2 1.0
!Met-44
assign (resid 44 and name HN )(resid 44 and name HA ) 4.0 2.2 1.0
assign (resid 44 and name HN )(resid 44 and name HB1 ) 4.0 2.2 1.0
assign (resid 44 and name HN )(resid 44 and name HB2 ) 4.0 2.2 1.0
assign (resid 44 and name HN )(resid 44 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 44 and name HA )(resid 44 and name HB1 ) 4.0 2.2 1.0
assign (resid 44 and name HA )(resid 44 and name HB2 ) 3.0 1.2 0.3
assign (resid 44 and name HN )(resid 43 and name HA ) 2.5 0.7 0.2
assign (resid 44 and name HN )(resid 43 and name HB1 ) 4.0 2.2 1.0
assign (resid 44 and name HN )(resid 43 and name HB2 ) 4.0 2.2 1.0
assign (resid 44 and name HN )(resid 7 and name HA ) 3.0 1.2 0.5
assign (resid 44 and name HN )(resid 6 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 44 and name HN )(resid 6 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 44 and name HA )(resid 60 and name HD2# ) 3.0 2.7 1.8 !#
assign (resid 44 and name HA )(resid 60 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 44 and name HA )(resid 60 and name HA ) 3.0 1.2 0.3
!Ser-45
assign (resid 45 and name HN )(resid 45 and name HA ) 4.0 2.2 1.0
assign (resid 45 and name HN )(resid 45 and name HB1 ) 4.0 2.2 1.0
assign (resid 45 and name HN )(resid 45 and name HB2 ) 2.5 0.7 0.2
assign (resid 45 and name HA )(resid 45 and name HB1 ) 3.0 1.2 0.3
assign (resid 45 and name HA )(resid 45 and name HB2 ) 4.0 2.2 1.0
assign (resid 45 and name HN )(resid 44 and name HA ) 2.5 0.7 0.2
assign (resid 45 and name HN )(resid 44 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 45 and name HN )(resid 44 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 45 and name HB1 )(resid 47 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 45 and name HB1 )(resid 47 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 45 and name HN )(resid 59 and name HN ) 3.0 1.2 0.5
assign (resid 45 and name HN )(resid 60 and name HA ) 4.0 2.2 1.0
assign (resid 45 and name HN )(resid 58 and name HB ) 2.5 0.7 0.2
assign (resid 45 and name HN )(resid 58 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 45 and name HN )(resid 58 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 45 and name HN )(resid 58 and name HA ) 4.0 2.2 1.0
assign (resid 45 and name HN )(resid 6 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 45 and name HB1 )(resid 5 and name HA ) 4.0 2.2 1.0
assign (resid 45 and name HB1 )(resid 59 and name HB# ) 4.0 3.7 2.5 !#
assign (resid 45 and name HB1 )(resid 3 and name HG* ) 3.0 3.6 2.7 !#
assign (resid 45 and name HB2 )(resid 59 and name HB# ) 4.0 3.7 2.5 !#
assign (resid 45 and name HB2 )(resid 59 and name HB# ) 4.0 3.7 2.5 !#
!Phe-46
assign (resid 46 and name HN )(resid 46 and name HA ) 4.0 2.2 1.0
assign (resid 46 and name HN )(resid 46 and name HB1 ) 4.0 2.2 1.0
assign (resid 46 and name HN )(resid 46 and name HB2 ) 2.5 0.7 0.2
assign (resid 46 and name HA )(resid 46 and name HB1 ) 3.0 1.2 0.3
assign (resid 46 and name HA )(resid 46 and name HB2 ) 3.0 1.2 0.3
assign (resid 46 and name HN )(resid 46 and name HD2 ) 2.5 0.7 0.2
assign (resid 46 and name HD1 )(resid 46 and name HA ) 3.0 1.2 0.3
assign (resid 46 and name HD1 )(resid 46 and name HB1 ) 3.0 1.2 0.3
assign (resid 46 and name HD2 )(resid 46 and name HB2 ) 3.0 1.2 0.3
assign (resid 46 and name HN )(resid 45 and name HA ) 2.5 0.7 0.2
assign (resid 46 and name HN )(resid 45 and name HB1 ) 3.0 1.2 0.5
assign (resid 46 and name HN )(resid 45 and name HB2 ) 4.0 2.2 1.0
assign (resid 46 and name HN )(resid 47 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 46 and name HD2 )(resid 45 and name HA ) 4.0 2.2 1.0
assign (resid 46 and name HN )(resid 5 and name HA ) 4.0 2.2 1.0
assign (resid 46 and name HN )(resid 3 and name HB ) 4.0 2.2 1.0
assign (resid 46 and name HN )(resid 3 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 46 and name HA )(resid 58 and name HA ) 3.0 1.2 0.3
assign (resid 46 and name HA )(resid 58 and name HG1# ) 3.0 2.7 1.8 !#
assign (resid 46 and name HD1 )(resid 58 and name HG1# ) 3.0 2.7 1.8 !#
assign (resid 46 and name HD2 )(resid 6 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 46 and name HD2 )(resid 6 and name HD* ) 3.0 3.6 2.7 !#
assign (resid 46 and name HD1 )(resid 56 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 46 and name HD1 )(resid 56 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 46 and name HD2 )(resid 4 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 46 and name HD2 )(resid 4 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 46 and name HD2 )(resid 4 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 46 and name HE2 )(resid 4 and name HB1 ) 4.0 2.2 1.0
assign (resid 46 and name HE2 )(resid 4 and name HB2 ) 4.0 2.2 1.0
assign (resid 46 and name HE2 )(resid 6 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 46 and name HE2 )(resid 6 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 46 and name HE1 )(resid 56 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 46 and name HE2 )(resid 6 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 46 and name HZ )(resid 6 and name HD* ) 3.0 3.6 2.7 !#
assign (resid 46 and name HZ )(resid 150 and name HE2 ) 4.0 2.2 1.0
assign (resid 46 and name HZ )(resid 148 and name HE# ) 4.0 3.7 2.5 !#
!Val-47
assign (resid 47 and name HN )(resid 47 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 47 and name HN )(resid 47 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 47 and name HA )(resid 47 and name HB ) 3.0 1.2 0.3
assign (resid 47 and name HA )(resid 47 and name HG1# ) 2.5 1.8 1.3 !#
assign (resid 47 and name HN )(resid 46 and name HD# ) 4.0 4.2 3.0 !#
assign (resid 47 and name HN )(resid 46 and name HA ) 2.5 0.7 0.2
assign (resid 47 and name HN )(resid 46 and name HB1 ) 4.0 2.2 1.0
assign (resid 47 and name HN )(resid 46 and name HB2 ) 4.0 2.2 1.0
assign (resid 47 and name HN )(resid 48 and name HN ) 4.0 2.2 1.0
assign (resid 47 and name HG1# )(resid 45 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 47 and name HG1# )(resid 45 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 47 and name HN )(resid 59 and name HN ) 4.0 2.2 1.0
assign (resid 47 and name HN )(resid 58 and name HA ) 3.0 1.2 0.5
assign (resid 47 and name HN )(resid 58 and name HB ) 4.0 2.2 1.0
assign (resid 47 and name HN )(resid 58 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 47 and name HA )(resid 93 and name HA ) 3.0 1.2 0.3
assign (resid 47 and name HB )(resid 95 and name HB1 ) 4.0 2.2 1.0
assign (resid 47 and name HB )(resid 95 and name HB2 ) 4.0 2.2 1.0
assign (resid 47 and name HB )(resid 95 and name HG1 ) 4.0 3.2 2.0 !#
assign (resid 47 and name HB )(resid 95 and name HG2 ) 4.0 3.2 2.0 !#
assign (resid 47 and name HB )(resid 100 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 47 and name HG1# )(resid 95 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 47 and name HG1# )(resid 95 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 47 and name HG2# )(resid 100 and name HG2# ) 4.0 5.2 4.0 ! !#
assign (resid 47 and name HG2# )(resid 95 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 47 and name HG2# )(resid 95 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 47 and name HG2# )(resid 57 and name HB1 ) 3.0 2.7 1.8 !
assign (resid 47 and name HG2# )(resid 57 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 47 and name HG2# )(resid 57 and name HG1 ) 3.0 3.7 2.8 ! !#
assign (resid 47 and name HG2# )(resid 57 and name HG2 ) 3.0 3.7 2.8 ! !#
!Gln-48
assign (resid 48 and name HN )(resid 48 and name HA ) 3.0 1.2 0.5
assign (resid 48 and name HN )(resid 48 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 48 and name HN )(resid 48 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 48 and name HA )(resid 48 and name HG1 ) 3.0 1.8 0.9 !#
assign (resid 48 and name HA )(resid 48 and name HG2 ) 3.0 1.8 0.9 !#
assign (resid 48 and name HA )(resid 48 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 48 and name HN )(resid 49 and name HN ) 4.0 2.2 1.0
assign (resid 48 and name HN )(resid 47 and name HB ) 3.0 1.2 0.5
assign (resid 48 and name HN )(resid 47 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 48 and name HN )(resid 47 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 48 and name HN )(resid 93 and name HA ) 4.0 2.2 1.0
assign (resid 48 and name HN )(resid 94 and name HB2 ) 4.0 2.2 1.0
!Gly-49
assign (resid 49 and name HN )(resid 49 and name HA2 ) 3.0 1.2 0.5 !#
assign (resid 49 and name HN )(resid 49 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 49 and name HN )(resid 50 and name HN ) 4.0 2.2 1.0
assign (resid 49 and name HN )(resid 48 and name HA ) 2.5 0.7 0.2
assign (resid 49 and name HN )(resid 48 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 49 and name HN )(resid 48 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 49 and name HN )(resid 57 and name HG1 ) 4.0 3.2 2.0 !#
assign (resid 49 and name HN )(resid 57 and name HG2 ) 4.0 3.2 2.0 !#
assign (resid 49 and name HA1 )(resid 57 and name HG# ) 4.0 3.2 2.0 ! !#
assign (resid 49 and name HA1 )(resid 57 and name HB2 ) 4.0 2.2 1.0 !
!Glu-50
assign (resid 50 and name HN )(resid 50 and name HA ) 3.0 1.2 0.5
assign (resid 50 and name HN )(resid 50 and name HB1 ) 3.0 1.2 0.5
assign (resid 50 and name HN )(resid 50 and name HB2 ) 2.5 0.7 0.2
assign (resid 50 and name HN )(resid 50 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 50 and name HA )(resid 50 and name HB1 ) 3.0 1.2 0.3
assign (resid 50 and name HA )(resid 50 and name HB2 ) 4.0 2.2 1.0
assign (resid 50 and name HA )(resid 50 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 50 and name HN )(resid 49 and name HA1 ) 2.5 0.7 0.2 !#
assign (resid 50 and name HN )(resid 49 and name HA2 ) 2.5 0.7 0.2 !#
assign (resid 50 and name HN )(resid 57 and name HG# ) 3.0 2.2 1.5 !#
!Glu-51
assign (resid 51 and name HN )(resid 51 and name HA ) 3.0 1.2 0.5
assign (resid 51 and name HN )(resid 51 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 51 and name HN )(resid 51 and name HG1 ) 4.0 3.2 2.0 !#
assign (resid 51 and name HN )(resid 51 and name HG2 ) 4.0 3.2 2.0 !#
assign (resid 51 and name HA )(resid 51 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 51 and name HN )(resid 50 and name HA ) 2.5 0.7 0.2
assign (resid 51 and name HN )(resid 50 and name HB2 ) 4.0 2.2 1.0
assign (resid 51 and name HA )(resid 57 and name HD# ) 3.0 2.2 1.3 !#
!Ser-52
assign (resid 52 and name HN )(resid 52 and name HB1 ) 3.0 1.2 0.5
assign (resid 52 and name HN )(resid 52 and name HB2 ) 3.0 1.2 0.5
assign (resid 52 and name HA )(resid 52 and name HB2 ) 2.5 0.7 0.2
assign (resid 52 and name HA )(resid 52 and name HB1 ) 4.0 2.2 1.0
assign (resid 52 and name HN )(resid 53 and name HN ) 4.0 2.2 1.0
assign (resid 52 and name HN )(resid 55 and name HN ) 4.0 2.2 1.0
assign (resid 52 and name HN )(resid 51 and name HB# ) 3.0 2.2 1.5
assign (resid 52 and name HN )(resid 51 and name HA ) 2.5 0.7 0.2
!Asn-53
assign (resid 53 and name HN )(resid 53 and name HB1 ) 3.0 1.2 0.5
assign (resid 53 and name HN )(resid 53 and name HB2 ) 3.0 1.2 0.5
assign (resid 53 and name HA )(resid 53 and name HB2 ) 4.0 2.2 1.0
assign (resid 53 and name HA )(resid 53 and name HB1 ) 3.0 1.2 0.3
assign (resid 53 and name HN )(resid 55 and name HN ) 4.0 2.2 1.0
assign (resid 53 and name HN )(resid 52 and name HB2 ) 3.0 1.2 0.5
assign (resid 53 and name HN )(resid 52 and name HB1 ) 4.0 2.2 1.0
!Asp-54
assign (resid 54 and name HN )(resid 54 and name HA ) 3.0 1.2 0.5
assign (resid 54 and name HN )(resid 54 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 54 and name HA )(resid 54 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 54 and name HN )(resid 55 and name HN ) 2.5 0.7 0.2
assign (resid 54 and name HN )(resid 52 and name HB2 ) 4.0 2.2 1.0
assign (resid 54 and name HN )(resid 53 and name HB1 ) 3.0 1.2 0.5
assign (resid 54 and name HN )(resid 55 and name HB2 ) 4.0 2.2 1.0
assign (resid 54 and name HN )(resid 55 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 54 and name HA )(resid 104 and name HA ) 4.0 2.2 1.0
assign (resid 54 and name HA )(resid 105 and name HB2 ) 4.0 2.2 1.0
!Lys-55
assign (resid 55 and name HN )(resid 55 and name HB2 ) 2.5 0.7 0.2
assign (resid 55 and name HN )(resid 55 and name HB1 ) 4.0 2.2 1.0
assign (resid 55 and name HN )(resid 55 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 55 and name HA )(resid 55 and name HB2 ) 4.0 2.2 1.0
assign (resid 55 and name HA )(resid 55 and name HB1 ) 3.0 1.2 0.3
assign (resid 55 and name HA )(resid 55 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 55 and name HA )(resid 55 and name HE# ) 4.0 3.2 2.0 !#
assign (resid 55 and name HA )(resid 55 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 55 and name HN )(resid 56 and name HN ) 4.0 2.2 1.0
assign (resid 55 and name HN )(resid 54 and name HA ) 4.0 2.2 1.0
assign (resid 55 and name HN )(resid 52 and name HB1 ) 4.0 2.2 1.0
assign (resid 55 and name HN )(resid 53 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 55 and name HN )(resid 54 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 55 and name HA )(resid 104 and name HA ) 3.0 1.2 0.3
assign (resid 55 and name HA )(resid 102 and name HB1 ) 3.0 1.2 0.3
!Ile-56
assign (resid 56 and name HN )(resid 56 and name HA ) 4.0 2.2 1.0
assign (resid 56 and name HN )(resid 56 and name HB ) 2.5 0.7 0.2
assign (resid 56 and name HN )(resid 56 and name HG1# ) 2.5 1.7 1.2 !#
assign (resid 56 and name HN )(resid 56 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 56 and name HN )(resid 56 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 56 and name HA )(resid 56 and name HB ) 4.0 2.2 1.0
assign (resid 56 and name HA )(resid 56 and name HG2# ) 3.0 2.3 1.4 !#
assign (resid 56 and name HA )(resid 56 and name HD# ) 3.0 2.7 1.8 !#
assign (resid 56 and name HA )(resid 56 and name HG1# ) 4.0 2.8 1.6 !#
assign (resid 56 and name HG2# )(resid 56 and name HD# ) 3.0 4.2 3.3 ! !#
assign (resid 56 and name HG2# )(resid 56 and name HG11 ) 3.0 3.7 2.8 ! !#
assign (resid 56 and name HG2# )(resid 56 and name HG12 ) 3.0 3.7 2.8 ! !#
assign (resid 56 and name HD# )(resid 56 and name HG11 ) 2.5 3.2 2.7 ! !#
assign (resid 56 and name HD# )(resid 56 and name HG12 ) 2.5 3.2 2.7 ! !#
assign (resid 56 and name HD# )(resid 56 and name HB ) 4.0 3.7 2.5 !
assign (resid 56 and name HN )(resid 55 and name HB2 ) 4.0 2.2 1.0
assign (resid 56 and name HN )(resid 55 and name HA ) 4.0 2.2 1.0
assign (resid 56 and name HN )(resid 57 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 56 and name HA )(resid 57 and name HD# ) 2.5 1.7 1.2 !#
assign (resid 56 and name HG2# )(resid 57 and name HD# ) 3.0 3.7 2.8 ! !#
assign (resid 56 and name HN )(resid 103 and name HN ) 4.0 2.2 1.0
assign (resid 56 and name HN )(resid 102 and name HA ) 4.0 2.2 1.0
assign (resid 56 and name HN )(resid 104 and name HA ) 4.0 2.2 1.0
assign (resid 56 and name HN )(resid 102 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 56 and name HG2# )(resid 46 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 56 and name HG2# )(resid 103 and name HE# ) 4.0 4.7 3.5 ! !#
!Pro-57
assign (resid 57 and name HA )(resid 57 and name HB1 ) 2.5 0.7 0.2
assign (resid 57 and name HA )(resid 57 and name HB2 ) 4.0 2.2 1.0
assign (resid 57 and name HA )(resid 58 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 57 and name HA )(resid 100 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 57 and name HA )(resid 102 and name HA ) 2.5 0.7 0.2
assign (resid 57 and name HA )(resid 100 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 57 and name HA )(resid 47 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 57 and name HD# )(resid 51 and name HG# ) 4.0 4.2 3.0 ! !#
!Val-58
assign (resid 58 and name HN )(resid 58 and name HA ) 4.0 2.2 1.0
assign (resid 58 and name HN )(resid 58 and name HB ) 4.0 2.2 1.0
assign (resid 58 and name HN )(resid 58 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 58 and name HN )(resid 58 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 58 and name HA )(resid 58 and name HB ) 3.0 1.2 0.3
assign (resid 58 and name HA )(resid 58 and name HG2# ) 4.0 3.3 2.1 !#
assign (resid 58 and name HA )(resid 58 and name HG1# ) 2.5 1.8 1.3 !#
assign (resid 58 and name HN )(resid 57 and name HA ) 2.5 0.7 0.2
assign (resid 58 and name HN )(resid 57 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 58 and name HB )(resid 60 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 58 and name HG2# )(resid 60 and name HD2# ) 3.0 4.2 3.3 ! !#
assign (resid 58 and name HG2# )(resid 60 and name HD1# ) 3.0 4.2 3.3 ! !#
assign (resid 58 and name HG1# )(resid 56 and name HG2# ) 3.0 4.2 3.3 ! !#
assign (resid 58 and name HG1# )(resid 56 and name HB ) 3.0 2.7 1.8 !
assign (resid 58 and name HN )(resid 103 and name HN ) 4.0 2.2 1.0
assign (resid 58 and name HN )(resid 101 and name HN ) 4.0 2.2 1.0
assign (resid 58 and name HN )(resid 102 and name HA ) 4.0 2.2 1.0
assign (resid 58 and name HA )(resid 47 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 58 and name HA )(resid 47 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 58 and name HG2# )(resid 101 and name HB# ) 3.0 3.7 2.8 ! !#
assign (resid 58 and name HG2# )(resid 44 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 58 and name HG1# )(resid 103 and name HE# ) 4.0 4.7 3.5 ! !#
!Ala-59
assign (resid 59 and name HN )(resid 59 and name HA ) 4.0 2.2 1.0
assign (resid 59 and name HN )(resid 59 and name HB# ) 3.0 2.3 1.6 !#
assign (resid 59 and name HN )(resid 60 and name HN ) 4.0 2.2 1.0
assign (resid 59 and name HN )(resid 58 and name HA ) 2.5 0.7 0.2
assign (resid 59 and name HN )(resid 58 and name HB ) 2.5 0.7 0.2
assign (resid 59 and name HN )(resid 58 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 59 and name HN )(resid 101 and name HN ) 4.0 2.2 1.0
assign (resid 59 and name HN )(resid 46 and name HA ) 4.0 2.2 1.0
assign (resid 59 and name HN )(resid 47 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 59 and name HN )(resid 47 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 59 and name HA )(resid 100 and name HA ) 4.0 2.2 1.0
assign (resid 59 and name HA )(resid 47 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 59 and name HB# )(resid 45 and name HB1 ) 3.0 2.7 1.8 !
assign (resid 59 and name HB# )(resid 45 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 59 and name HB# )(resid 95 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 59 and name HB# )(resid 95 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 59 and name HB# )(resid 47 and name HB ) 4.0 3.7 2.5 !
assign (resid 59 and name HB# )(resid 47 and name HG1# ) 2.5 3.7 3.2 ! !#
assign (resid 59 and name HB# )(resid 47 and name HG2# ) 3.0 4.2 3.3 ! !#
assign (resid 59 and name HB# )(resid 95 and name HE# ) 4.0 5.2 4.0 ! !#
!Leu-60
assign (resid 60 and name HN )(resid 60 and name HG ) 4.0 2.2 1.0
assign (resid 60 and name HN )(resid 60 and name HB2 ) 3.0 1.2 0.5
assign (resid 60 and name HN )(resid 60 and name HB1 ) 4.0 2.2 1.0
assign (resid 60 and name HA )(resid 60 and name HD2# ) 2.5 2.2 1.7 !#
assign (resid 60 and name HA )(resid 60 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 60 and name HA )(resid 60 and name HB2 ) 4.0 2.2 1.0
assign (resid 60 and name HA )(resid 60 and name HB1 ) 3.0 1.2 0.3
assign (resid 60 and name HA )(resid 60 and name HG ) 4.0 2.2 1.0
assign (resid 60 and name HD2# )(resid 60 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 60 and name HD2# )(resid 60 and name HB1 ) 3.0 2.7 1.8 !
assign (resid 60 and name HD1# )(resid 60 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 60 and name HD1# )(resid 60 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 60 and name HN )(resid 59 and name HA ) 3.0 1.2 0.5
assign (resid 60 and name HN )(resid 59 and name HB# ) 3.0 2.7 2.0 !#
assign (resid 60 and name HD2# )(resid 58 and name HG2# ) 3.0 4.2 3.3 ! !#
assign (resid 60 and name HN )(resid 68 and name HD2 ) 4.0 2.2 1.0
assign (resid 60 and name HD2# )(resid 112 and name HB# ) 4.0 4.7 3.5 ! !#
assign (resid 60 and name HD2# )(resid 69 and name HD* ) 4.0 6.1 4.9 ! !#
assign (resid 60 and name HD2# )(resid 42 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 60 and name HD2# )(resid 42 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 60 and name HD2# )(resid 44 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 60 and name HD2# )(resid 44 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 60 and name HD1# )(resid 44 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 60 and name HD1# )(resid 42 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 60 and name HD1# )(resid 69 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 60 and name HD1# )(resid 69 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 60 and name HD1# )(resid 101 and name HB# ) 4.0 4.7 3.5 ! !#
!Gly-61
assign (resid 61 and name HN )(resid 61 and name HA1 ) 2.5 0.7 0.2 !#
assign (resid 61 and name HN )(resid 61 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 61 and name HN )(resid 60 and name HA ) 2.5 0.7 0.2
assign (resid 61 and name HN )(resid 60 and name HB2 ) 4.0 2.2 1.0
assign (resid 61 and name HN )(resid 60 and name HB1 ) 4.0 2.2 1.0
assign (resid 61 and name HN )(resid 60 and name HG ) 4.0 2.2 1.0
assign (resid 61 and name HN )(resid 68 and name HD2 ) 4.0 2.2 1.0
assign (resid 61 and name HN )(resid 68 and name HE2 ) 4.0 2.2 1.0
assign (resid 61 and name HN )(resid 44 and name HA ) 4.0 2.2 1.0
assign (resid 61 and name HA2 )(resid 68 and name HA ) 3.0 1.2 0.3 !
assign (resid 61 and name HA2 )(resid 69 and name HD* ) 4.0 4.6 3.4 ! !#
assign (resid 61 and name HA2 )(resid 82 and name HD2# ) 4.0 3.7 2.5 ! !#
!Leu-62
assign (resid 62 and name HN )(resid 62 and name HA ) 4.0 2.2 1.0
assign (resid 62 and name HN )(resid 62 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 62 and name HN )(resid 62 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 62 and name HN )(resid 62 and name HB1 ) 3.0 1.2 0.5
assign (resid 62 and name HN )(resid 62 and name HB2 ) 3.0 1.2 0.5
assign (resid 62 and name HN )(resid 62 and name HG ) 2.5 0.7 0.2
assign (resid 62 and name HA )(resid 62 and name HB1 ) 2.5 0.7 0.2
assign (resid 62 and name HA )(resid 62 and name HB2 ) 3.0 1.2 0.3
assign (resid 62 and name HA )(resid 62 and name HG ) 4.0 2.2 1.0
assign (resid 62 and name HD1# )(resid 62 and name HA ) 4.0 3.7 2.5 !
assign (resid 62 and name HD2# )(resid 62 and name HA ) 2.5 2.2 1.7 !
assign (resid 62 and name HD1# )(resid 62 and name HB1 ) 3.0 2.7 1.8 !
assign (resid 62 and name HD1# )(resid 62 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 62 and name HD2# )(resid 62 and name HB1 ) 3.0 2.7 1.8 !
assign (resid 62 and name HD2# )(resid 62 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 62 and name HN )(resid 67 and name HN ) 4.0 2.2 1.0
assign (resid 62 and name HN )(resid 61 and name HA2 ) 3.0 1.2 0.5 !#
assign (resid 62 and name HN )(resid 61 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 62 and name HD1# )(resid 67 and name HD1# ) 3.0 4.2 3.3 ! !#
assign (resid 62 and name HD1# )(resid 65 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 62 and name HD1# )(resid 65 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 62 and name HD2# )(resid 65 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 62 and name HN )(resid 68 and name HA ) 4.0 2.2 1.0
!Lys-63
assign (resid 63 and name HN )(resid 63 and name HA ) 3.0 1.2 0.5
assign (resid 63 and name HN )(resid 63 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 63 and name HA )(resid 63 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 63 and name HN )(resid 64 and name HN ) 3.0 1.2 0.5
assign (resid 63 and name HN )(resid 62 and name HA ) 2.5 0.7 0.2
assign (resid 63 and name HN )(resid 62 and name HB2 ) 4.0 2.2 1.0
assign (resid 63 and name HN )(resid 42 and name HA ) 2.5 0.7 0.2
assign (resid 63 and name HN )(resid 41 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 63 and name HN )(resid 40 and name HG1# ) 4.0 3.7 2.5 !#
!Glu-64
assign (resid 64 and name HN )(resid 64 and name HA ) 3.0 1.2 0.5
assign (resid 64 and name HN )(resid 64 and name HB2 ) 2.5 0.7 0.2
assign (resid 64 and name HN )(resid 64 and name HB1 ) 4.0 2.2 1.0
assign (resid 64 and name HA )(resid 64 and name HB2 ) 4.0 2.2 1.0
assign (resid 64 and name HA )(resid 64 and name HB1 ) 2.5 0.7 0.2
assign (resid 64 and name HA )(resid 64 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 64 and name HN )(resid 65 and name HN ) 3.0 1.2 0.5
assign (resid 64 and name HN )(resid 63 and name HA ) 3.0 1.2 0.5
assign (resid 64 and name HN )(resid 63 and name HB1 ) 3.0 1.2 0.5
assign (resid 64 and name HN )(resid 63 and name HB2 ) 3.0 1.2 0.5
!Lys-65
assign (resid 65 and name HN )(resid 65 and name HA ) 4.0 2.2 1.0
assign (resid 65 and name HN )(resid 65 and name HB1 ) 4.0 2.2 1.0
assign (resid 65 and name HN )(resid 65 and name HB2 ) 3.0 1.2 0.5
assign (resid 65 and name HN )(resid 65 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 65 and name HN )(resid 65 and name HD# ) 3.0 2.2 1.5 !#
assign (resid 65 and name HA )(resid 65 and name HG# ) 2.5 1.3 0.8 !#
assign (resid 65 and name HA )(resid 65 and name HB1 ) 2.5 0.7 0.2
assign (resid 65 and name HA )(resid 65 and name HB2 ) 4.0 2.2 1.0
assign (resid 65 and name HA )(resid 65 and name HG1 ) 3.0 1.8 0.9 !#
assign (resid 65 and name HA )(resid 65 and name HG2 ) 3.0 1.8 0.9 !#
assign (resid 65 and name HN )(resid 66 and name HN ) 4.0 2.2 1.0
assign (resid 65 and name HN )(resid 67 and name HN ) 4.0 2.2 1.0
assign (resid 65 and name HN )(resid 64 and name HA ) 3.0 1.2 0.5
assign (resid 65 and name HN )(resid 63 and name HA ) 4.0 2.2 1.0
assign (resid 65 and name HN )(resid 64 and name HB1 ) 4.0 2.2 1.0
assign (resid 65 and name HN )(resid 64 and name HB2 ) 4.0 2.2 1.0
!Asn-66
assign (resid 66 and name HN )(resid 66 and name HB1 ) 4.0 2.2 1.0
assign (resid 66 and name HN )(resid 66 and name HB2 ) 4.0 2.2 1.0
assign (resid 66 and name HA )(resid 66 and name HB2 ) 2.5 0.7 0.2
assign (resid 66 and name HA )(resid 66 and name HB1 ) 3.0 1.2 0.3
assign (resid 66 and name HD21 )(resid 66 and name HB2 ) 3.0 2.2 0.5 !
assign (resid 66 and name HD21 )(resid 66 and name HB1 ) 3.0 2.2 0.5 !
assign (resid 66 and name HD22 )(resid 66 and name HB2 ) 4.0 2.2 1.0 !
assign (resid 66 and name HD22 )(resid 66 and name HB1 ) 4.0 2.2 1.0 !
assign (resid 66 and name HN )(resid 67 and name HN ) 4.0 2.2 1.0
assign (resid 66 and name HN )(resid 65 and name HB1 ) 4.0 2.2 1.0
assign (resid 66 and name HN )(resid 65 and name HB2 ) 4.0 2.2 1.0
assign (resid 66 and name HN )(resid 65 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 66 and name HA )(resid 85 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 66 and name HB1 )(resid 85 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 66 and name HB2 )(resid 85 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 66 and name HD21 )(resid 87 and name HB1 ) 4.0 3.2 1.0 !
assign (resid 66 and name HD21 )(resid 87 and name HB2 ) 4.0 3.2 1.0 !
assign (resid 66 and name HD22 )(resid 87 and name HB1 ) 4.0 3.2 1.0 !
assign (resid 66 and name HD22 )(resid 87 and name HB2 ) 4.0 3.2 1.0 !
assign (resid 66 and name HD22 )(resid 87 and name HD# ) 4.0 4.2 2.0 ! !#
assign (resid 66 and name HD21 )(resid 87 and name HD# ) 3.0 3.2 1.5 ! !#
!Leu-67
assign (resid 67 and name HN )(resid 67 and name HA ) 4.0 2.2 1.0
assign (resid 67 and name HN )(resid 67 and name HB2 ) 2.5 0.7 0.2
assign (resid 67 and name HN )(resid 67 and name HB1 ) 4.0 2.2 1.0
assign (resid 67 and name HN )(resid 67 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 67 and name HN )(resid 67 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 67 and name HN )(resid 67 and name HG ) 4.0 2.2 1.0
assign (resid 67 and name HA )(resid 67 and name HB1 ) 4.0 2.2 1.0
assign (resid 67 and name HA )(resid 67 and name HB2 ) 4.0 2.2 1.0
assign (resid 67 and name HA )(resid 67 and name HD2# ) 2.5 2.2 1.7 !#
assign (resid 67 and name HN )(resid 65 and name HN ) 4.0 2.2 1.0
assign (resid 67 and name HN )(resid 66 and name HA ) 3.0 1.2 0.5
assign (resid 67 and name HN )(resid 65 and name HB1 ) 4.0 2.2 1.0
assign (resid 67 and name HN )(resid 62 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 67 and name HD1# )(resid 65 and name HD# ) 3.0 3.7 2.8 ! !#
assign (resid 67 and name HD1# )(resid 65 and name HB# ) 3.0 3.7 2.8 ! !#
assign (resid 67 and name HA )(resid 84 and name HA ) 3.0 1.2 0.3
assign (resid 67 and name HA )(resid 85 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 67 and name HD1# )(resid 82 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 67 and name HD1# )(resid 82 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 67 and name HD2# )(resid 82 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 67 and name HD2# )(resid 82 and name HB2 ) 4.0 3.7 2.5 !
!Tyr-68
assign (resid 68 and name HN )(resid 68 and name HD1 ) 4.0 2.2 1.0
assign (resid 68 and name HN )(resid 68 and name HA ) 4.0 2.2 1.0
assign (resid 68 and name HN )(resid 68 and name HB1 ) 4.0 2.2 1.0
assign (resid 68 and name HN )(resid 68 and name HB2 ) 3.0 1.2 0.5
assign (resid 68 and name HA )(resid 68 and name HB1 ) 4.0 2.2 1.0
assign (resid 68 and name HA )(resid 68 and name HB2 ) 4.0 2.2 1.0
assign (resid 68 and name HD1 )(resid 68 and name HA ) 4.0 2.2 1.0
assign (resid 68 and name HD2 )(resid 68 and name HA ) 4.0 2.2 1.0
assign (resid 68 and name HD2 )(resid 68 and name HB1 ) 4.0 2.2 1.0
assign (resid 68 and name HD1 )(resid 68 and name HB2 ) 4.0 2.2 1.0
assign (resid 68 and name HN )(resid 67 and name HA ) 2.5 0.7 0.2
assign (resid 68 and name HN )(resid 67 and name HB1 ) 4.0 2.2 1.0
assign (resid 68 and name HN )(resid 67 and name HB2 ) 4.0 2.2 1.0
assign (resid 68 and name HN )(resid 67 and name HG ) 4.0 2.2 1.0
assign (resid 68 and name HN )(resid 67 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 68 and name HA )(resid 69 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 68 and name HE1 )(resid 66 and name HB2 ) 4.0 2.2 1.0
assign (resid 68 and name HN )(resid 84 and name HA ) 4.0 2.2 1.0
assign (resid 68 and name HN )(resid 85 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 68 and name HN )(resid 83 and name HN ) 4.0 2.2 1.0
assign (resid 68 and name HA )(resid 82 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 68 and name HD2 )(resid 59 and name HB# ) 4.0 3.7 2.5 !#
assign (resid 68 and name HD2 )(resid 95 and name HE# ) 4.0 3.7 2.5 !#
assign (resid 68 and name HD1 )(resid 85 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 68 and name HD1 )(resid 85 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 68 and name HD1 )(resid 85 and name HB ) 4.0 2.2 1.0
assign (resid 68 and name HD1 )(resid 61 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 68 and name HD1 )(resid 61 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 68 and name HD2 )(resid 61 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 68 and name HD2 )(resid 61 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 68 and name HD2 )(resid 99 and name HB1 ) 4.0 2.2 1.0
assign (resid 68 and name HE# )(resid 91 and name HA ) 4.0 4.2 3.0 !
assign (resid 68 and name HE2 )(resid 45 and name HB2 ) 4.0 2.2 1.0
assign (resid 68 and name HE2 )(resid 90 and name HB1 ) 4.0 2.2 1.0
assign (resid 68 and name HE2 )(resid 90 and name HB2 ) 4.0 2.2 1.0
assign (resid 68 and name HE1 )(resid 61 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 68 and name HE1 )(resid 61 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 68 and name HE2 )(resid 61 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 68 and name HE2 )(resid 61 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 68 and name HE# )(resid 91 and name HB1 ) 4.0 4.2 3.0 !
assign (resid 68 and name HE2 )(resid 59 and name HB# ) 2.5 2.2 1.7 !#
assign (resid 68 and name HE2 )(resid 95 and name HE# ) 3.0 2.7 1.8 !#
assign (resid 68 and name HE1 )(resid 85 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 68 and name HE1 )(resid 85 and name HG1# ) 4.0 3.7 2.5 !#
!Leu-69
assign (resid 69 and name HN )(resid 69 and name HA ) 4.0 2.2 1.0
assign (resid 69 and name HN )(resid 69 and name HB2 ) 2.5 0.7 0.2
assign (resid 69 and name HN )(resid 69 and name HB1 ) 4.0 2.2 1.0
assign (resid 69 and name HN )(resid 69 and name HD* ) 2.5 2.4 1.9 !#
assign (resid 69 and name HA )(resid 69 and name HB2 ) 4.0 2.2 1.0
assign (resid 69 and name HA )(resid 69 and name HB1 ) 3.0 1.2 0.3
assign (resid 69 and name HA )(resid 69 and name HD* ) 4.0 3.9 2.7 !#
assign (resid 69 and name HD* )(resid 69 and name HB2 ) 4.0 3.9 2.7 !
assign (resid 69 and name HD* )(resid 69 and name HB1 ) 3.0 2.9 2.0 !
assign (resid 69 and name HN )(resid 68 and name HD# ) 4.0 4.2 3.0 !#
assign (resid 69 and name HN )(resid 68 and name HA ) 2.5 0.7 0.2
assign (resid 69 and name HN )(resid 68 and name HB1 ) 4.0 2.2 1.0
assign (resid 69 and name HN )(resid 68 and name HB2 ) 4.0 2.2 1.0
assign (resid 69 and name HN )(resid 83 and name HN ) 4.0 2.2 1.0
assign (resid 69 and name HN )(resid 61 and name HA2 ) 3.0 1.2 0.5 !#
assign (resid 69 and name HN )(resid 61 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 69 and name HN )(resid 101 and name HE1 ) 4.0 2.2 1.0
assign (resid 69 and name HN )(resid 82 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 69 and name HA )(resid 80 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 69 and name HA )(resid 80 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 69 and name HA )(resid 82 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 69 and name HD* )(resid 60 and name HB2 ) 4.0 4.6 3.4 !
assign (resid 69 and name HD* )(resid 60 and name HB1 ) 3.0 3.6 2.7 !
assign (resid 69 and name HD* )(resid 122 and name HG1# ) 4.0 5.6 4.4 ! !#
!Ser-70
assign (resid 70 and name HN )(resid 70 and name HA ) 4.0 2.2 1.0
assign (resid 70 and name HN )(resid 70 and name HB1 ) 4.0 2.2 1.0
assign (resid 70 and name HN )(resid 70 and name HB2 ) 4.0 2.2 1.0
assign (resid 70 and name HA )(resid 70 and name HB1 ) 3.0 1.2 0.3
assign (resid 70 and name HA )(resid 70 and name HB2 ) 3.0 1.2 0.3
assign (resid 70 and name HN )(resid 69 and name HA ) 2.5 0.7 0.2
assign (resid 70 and name HN )(resid 69 and name HB2 ) 4.0 2.2 1.0
assign (resid 70 and name HN )(resid 69 and name HB1 ) 3.0 1.2 0.5
assign (resid 70 and name HN )(resid 69 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 70 and name HN )(resid 81 and name HN ) 2.5 0.7 0.2
assign (resid 70 and name HN )(resid 82 and name HA ) 4.0 2.2 1.0
assign (resid 70 and name HN )(resid 80 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 70 and name HN )(resid 80 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 70 and name HN )(resid 81 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 70 and name HA )(resid 99 and name HA ) 3.0 1.2 0.3
assign (resid 70 and name HA )(resid 80 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 70 and name HB1 )(resid 99 and name HA ) 4.0 2.2 1.0
assign (resid 70 and name HB1 )(resid 83 and name HB1 ) 4.0 2.2 1.0
assign (resid 70 and name HB1 )(resid 83 and name HB2 ) 4.0 2.2 1.0
assign (resid 70 and name HB1 )(resid 83 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 70 and name HB2 )(resid 99 and name HA ) 4.0 2.2 1.0
assign (resid 70 and name HB2 )(resid 83 and name HB1 ) 4.0 2.2 1.0
assign (resid 70 and name HB2 )(resid 83 and name HB2 ) 4.0 2.2 1.0
!Cys-71
assign (resid 71 and name HN )(resid 71 and name HA ) 4.0 2.2 1.0
assign (resid 71 and name HN )(resid 71 and name HB2 ) 3.0 1.2 0.5
assign (resid 71 and name HN )(resid 71 and name HB1 ) 4.0 2.2 1.0
assign (resid 71 and name HA )(resid 71 and name HB2 ) 4.0 2.2 1.0
assign (resid 71 and name HA )(resid 71 and name HB1 ) 3.0 1.2 0.3
assign (resid 71 and name HN )(resid 72 and name HN ) 4.0 2.2 1.0
assign (resid 71 and name HN )(resid 70 and name HA ) 2.5 0.7 0.2
assign (resid 71 and name HN )(resid 70 and name HB1 ) 4.0 2.2 1.0
assign (resid 71 and name HN )(resid 70 and name HB2 ) 3.0 1.2 0.5
assign (resid 71 and name HA )(resid 72 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 71 and name HN )(resid 117 and name HE# ) 4.0 4.2 3.0 !#
assign (resid 71 and name HN )(resid 98 and name HA ) 4.0 2.2 1.0
assign (resid 71 and name HA )(resid 80 and name HA ) 4.0 2.2 1.0
assign (resid 71 and name HA )(resid 80 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 71 and name HA )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 71 and name HB1 )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
!Val-72
assign (resid 72 and name HN )(resid 72 and name HA ) 4.0 2.2 1.0
assign (resid 72 and name HN )(resid 72 and name HB ) 4.0 2.2 1.0
assign (resid 72 and name HN )(resid 72 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 72 and name HN )(resid 72 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 72 and name HA )(resid 72 and name HN ) 2.5 0.7 0.2
assign (resid 72 and name HA )(resid 72 and name HG1# ) 2.5 1.8 1.3 !#
assign (resid 72 and name HA )(resid 72 and name HG2# ) 3.0 2.3 1.4 !#
assign (resid 72 and name HN )(resid 73 and name HN ) 4.0 2.2 1.0
assign (resid 72 and name HN )(resid 71 and name HA ) 2.5 0.7 0.2
assign (resid 72 and name HN )(resid 71 and name HB1 ) 4.0 2.2 1.0
assign (resid 72 and name HN )(resid 71 and name HB2 ) 4.0 2.2 1.0
assign (resid 72 and name HG2# )(resid 74 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 72 and name HG2# )(resid 74 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 72 and name HG2# )(resid 74 and name HG# ) 3.0 3.7 2.8 ! !#
assign (resid 72 and name HG2# )(resid 74 and name HD# ) 4.0 4.7 3.5 ! !#
assign (resid 72 and name HG2# )(resid 74 and name HE# ) 4.0 4.7 3.5 ! !#
assign (resid 72 and name HG1# )(resid 74 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 72 and name HG1# )(resid 74 and name HD# ) 4.0 4.7 3.5 ! !#
assign (resid 72 and name HN )(resid 117 and name HE# ) 4.0 4.2 3.0 !#
assign (resid 72 and name HN )(resid 117 and name HZ ) 4.0 2.2 1.0
assign (resid 72 and name HN )(resid 81 and name HN ) 4.0 2.2 1.0
assign (resid 72 and name HN )(resid 80 and name HA ) 4.0 2.2 1.0
assign (resid 72 and name HN )(resid 78 and name HA ) 4.0 2.2 1.0
assign (resid 72 and name HA )(resid 98 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 72 and name HG2# )(resid 79 and name HB ) 3.0 2.7 1.8 !
assign (resid 72 and name HG2# )(resid 79 and name HG2# ) 4.0 5.2 4.0 ! !#
!Leu-73
assign (resid 73 and name HN )(resid 73 and name HA ) 3.0 1.2 0.5
assign (resid 73 and name HN )(resid 73 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 73 and name HN )(resid 73 and name HG ) 2.5 0.7 0.2
assign (resid 73 and name HN )(resid 73 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 73 and name HN )(resid 73 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 73 and name HA )(resid 73 and name HD2# ) 2.5 2.2 1.7 !#
assign (resid 73 and name HA )(resid 73 and name HD1# ) 4.0 3.7 2.0 !#
assign (resid 73 and name HA )(resid 73 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 73 and name HA )(resid 73 and name HG ) 4.0 2.2 1.0
assign (resid 73 and name HN )(resid 74 and name HN ) 4.0 2.2 1.0
assign (resid 73 and name HN )(resid 72 and name HA ) 2.5 0.7 0.2
assign (resid 73 and name HN )(resid 78 and name HA ) 4.0 2.2 1.0
assign (resid 73 and name HN )(resid 72 and name HB ) 2.5 0.7 0.2
assign (resid 73 and name HN )(resid 72 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 73 and name HN )(resid 72 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 73 and name HA )(resid 78 and name HA ) 3.0 1.2 0.3
assign (resid 73 and name HA )(resid 72 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 73 and name HN )(resid 117 and name HE# ) 4.0 4.2 3.0 !#
assign (resid 73 and name HN )(resid 117 and name HZ ) 3.0 1.2 0.5
!Lys-74
assign (resid 74 and name HN )(resid 74 and name HA ) 4.0 2.2 1.0
assign (resid 74 and name HN )(resid 74 and name HB2 ) 2.5 0.7 0.2
assign (resid 74 and name HN )(resid 74 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 74 and name HN )(resid 74 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 74 and name HA )(resid 74 and name HB2 ) 3.0 1.2 0.3
assign (resid 74 and name HA )(resid 74 and name HB1 ) 2.5 0.7 0.2
assign (resid 74 and name HA )(resid 74 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 74 and name HA )(resid 74 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 74 and name HN )(resid 79 and name HN ) 4.0 2.2 1.0
assign (resid 74 and name HN )(resid 77 and name HN ) 2.5 0.7 0.2
assign (resid 74 and name HN )(resid 73 and name HA ) 2.5 0.7 0.2
assign (resid 74 and name HN )(resid 79 and name HB ) 4.0 2.2 1.0
assign (resid 74 and name HN )(resid 78 and name HA ) 4.0 2.2 1.0
assign (resid 74 and name HN )(resid 73 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 74 and name HN )(resid 73 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 74 and name HN )(resid 75 and name HN ) 4.0 2.2 1.0
!Asp-75
assign (resid 75 and name HN )(resid 75 and name HA ) 2.5 0.7 0.2
assign (resid 75 and name HN )(resid 75 and name HB1 ) 4.0 2.2 1.0
assign (resid 75 and name HN )(resid 75 and name HB2 ) 4.0 2.2 1.0
assign (resid 75 and name HA )(resid 75 and name HB1 ) 2.5 0.7 0.2
assign (resid 75 and name HA )(resid 75 and name HB2 ) 4.0 2.2 1.0
assign (resid 75 and name HN )(resid 76 and name HN ) 2.5 0.7 0.2
assign (resid 75 and name HN )(resid 74 and name HA ) 2.5 0.7 0.2
assign (resid 75 and name HN )(resid 74 and name HB1 ) 4.0 2.2 1.0
assign (resid 75 and name HN )(resid 74 and name HB2 ) 4.0 2.2 1.0
assign (resid 75 and name HN )(resid 74 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 75 and name HN )(resid 73 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 75 and name HN )(resid 73 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 75 and name HN )(resid 73 and name HB1 ) 4.0 2.2 1.0
!Asp-76
assign (resid 76 and name HN )(resid 76 and name HA ) 2.5 0.7 0.2
assign (resid 76 and name HN )(resid 76 and name HB1 ) 4.0 2.2 1.0
assign (resid 76 and name HN )(resid 76 and name HB2 ) 4.0 2.2 1.0
assign (resid 76 and name HA )(resid 76 and name HB1 ) 2.5 0.7 0.2
assign (resid 76 and name HA )(resid 76 and name HB2 ) 3.0 1.2 0.3
assign (resid 76 and name HN )(resid 77 and name HN ) 2.5 0.7 0.2
assign (resid 76 and name HN )(resid 74 and name HN ) 4.0 2.2 1.0
assign (resid 76 and name HN )(resid 75 and name HA ) 2.5 0.7 0.2
assign (resid 76 and name HN )(resid 74 and name HA ) 4.0 2.2 1.0
assign (resid 76 and name HN )(resid 75 and name HB1 ) 4.0 2.2 1.0
assign (resid 76 and name HN )(resid 75 and name HB2 ) 4.0 2.2 1.0
assign (resid 76 and name HN )(resid 73 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 76 and name HN )(resid 73 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 76 and name HN )(resid 73 and name HB1 ) 2.5 0.7 0.2
!Lys-77
assign (resid 77 and name HN )(resid 77 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 77 and name HN )(resid 77 and name HB1 ) 3.0 1.2 0.5
assign (resid 77 and name HN )(resid 77 and name HB2 ) 3.0 1.2 0.5
assign (resid 77 and name HN )(resid 77 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 77 and name HA )(resid 77 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 77 and name HG# )(resid 77 and name HE# ) 4.0 4.2 3.0 ! !#
assign (resid 77 and name HN )(resid 74 and name HN ) 2.5 0.7 0.2
assign (resid 77 and name HN )(resid 74 and name HA ) 4.0 2.2 1.0
assign (resid 77 and name HN )(resid 75 and name HA ) 4.0 2.2 1.0
assign (resid 77 and name HN )(resid 76 and name HA ) 3.0 1.2 0.5
assign (resid 77 and name HN )(resid 75 and name HB1 ) 4.0 2.2 1.0
assign (resid 77 and name HN )(resid 75 and name HB2 ) 3.0 1.2 0.5
assign (resid 77 and name HN )(resid 73 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 77 and name HN )(resid 73 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 77 and name HA )(resid 78 and name HD1 ) 3.0 2.2 1.3 !#
assign (resid 77 and name HA )(resid 78 and name HD2 ) 3.0 2.2 1.3 !#
assign (resid 77 and name HA )(resid 73 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 77 and name HA )(resid 73 and name HD2# ) 3.0 2.7 1.8 !#
!Pro-78
assign (resid 78 and name HA )(resid 78 and name HB2 ) 4.0 2.2 1.0
assign (resid 78 and name HA )(resid 78 and name HB1 ) 3.0 1.2 0.3
assign (resid 78 and name HA )(resid 73 and name HD2# ) 3.0 2.7 1.8 !#
assign (resid 78 and name HA )(resid 73 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 78 and name HD1 )(resid 77 and name HE# ) 4.0 4.2 3.0 ! !#
assign (resid 78 and name HD1 )(resid 77 and name HG# ) 3.0 3.2 2.3 ! !#
assign (resid 78 and name HD1 )(resid 77 and name HB1 ) 4.0 3.2 2.0 !
assign (resid 78 and name HD1 )(resid 77 and name HB2 ) 4.0 3.2 2.0 !
assign (resid 78 and name HD2 )(resid 77 and name HE# ) 4.0 4.2 3.0 ! !#
assign (resid 78 and name HD2 )(resid 77 and name HG# ) 3.0 3.2 2.3 ! !#
assign (resid 78 and name HD2 )(resid 77 and name HB1 ) 4.0 3.2 2.0 !
assign (resid 78 and name HD2 )(resid 77 and name HB2 ) 4.0 3.2 2.0 !
assign (resid 78 and name HD2 )(resid 73 and name HD1# ) 4.0 4.7 3.5 ! !#
assign (resid 78 and name HD2 )(resid 73 and name HD2# ) 4.0 4.7 3.5 ! !#
assign (resid 78 and name HB1 )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 78 and name HB1 )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 78 and name HB2 )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 78 and name HB2 )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
!Thr-79
assign (resid 79 and name HN )(resid 79 and name HA ) 4.0 2.2 1.0
assign (resid 79 and name HN )(resid 79 and name HB ) 3.0 1.2 0.5
assign (resid 79 and name HN )(resid 79 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 79 and name HA )(resid 79 and name HB ) 4.0 2.2 1.0
assign (resid 79 and name HA )(resid 79 and name HG2# ) 3.0 2.3 1.4 !#
assign (resid 79 and name HN )(resid 78 and name HA ) 2.5 0.7 0.2
assign (resid 79 and name HN )(resid 78 and name HB1 ) 4.0 2.2 1.0
assign (resid 79 and name HG2# )(resid 74 and name HD# ) 3.0 3.7 2.8 ! !#
assign (resid 79 and name HG2# )(resid 74 and name HB# ) 3.0 3.7 2.8 ! !#
assign (resid 79 and name HG2# )(resid 80 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 79 and name HB )(resid 74 and name HB1 ) 4.0 2.2 1.0
assign (resid 79 and name HB )(resid 74 and name HB2 ) 4.0 2.2 1.0
assign (resid 79 and name HN )(resid 73 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 79 and name HN )(resid 73 and name HA ) 3.0 1.2 0.5
assign (resid 79 and name HN )(resid 117 and name HE2 ) 4.0 2.2 1.0
assign (resid 79 and name HN )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 79 and name HA )(resid 134 and name HB1 ) 4.0 2.2 1.0
assign (resid 79 and name HA )(resid 134 and name HB2 ) 4.0 2.2 1.0
assign (resid 79 and name HA )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 79 and name HG2# )(resid 72 and name HG2# ) 2.5 3.7 3.2 ! !#
assign (resid 79 and name HB )(resid 134 and name HB1 ) 4.0 2.2 1.0
assign (resid 79 and name HB )(resid 134 and name HB2 ) 4.0 2.2 1.0
assign (resid 79 and name HB )(resid 72 and name HG2# ) 2.5 2.2 1.7 !#
!Leu-80
assign (resid 80 and name HN )(resid 80 and name HB1 ) 2.5 0.7 0.2
assign (resid 80 and name HN )(resid 80 and name HB2 ) 2.5 0.7 0.2
assign (resid 80 and name HN )(resid 80 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 80 and name HN )(resid 80 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 80 and name HN )(resid 80 and name HA ) 4.0 2.2 1.0
assign (resid 80 and name HN )(resid 80 and name HG ) 4.0 2.2 1.0
assign (resid 80 and name HA )(resid 80 and name HB1 ) 3.0 1.2 0.3
assign (resid 80 and name HA )(resid 80 and name HB2 ) 4.0 2.2 1.0
assign (resid 80 and name HA )(resid 80 and name HG ) 4.0 2.2 1.0
assign (resid 80 and name HA )(resid 80 and name HD1# ) 2.5 2.2 1.7 !#
assign (resid 80 and name HD1# )(resid 80 and name HB1 ) 2.5 2.2 1.7 !
assign (resid 80 and name HD1# )(resid 80 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 80 and name HD2# )(resid 80 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 80 and name HD2# )(resid 80 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 80 and name HN )(resid 81 and name HN ) 4.0 2.2 1.0
assign (resid 80 and name HN )(resid 79 and name HA ) 2.5 0.7 0.2
assign (resid 80 and name HN )(resid 79 and name HB ) 4.0 2.2 1.0
assign (resid 80 and name HN )(resid 134 and name HN ) 3.0 1.2 0.5
assign (resid 80 and name HN )(resid 133 and name HA ) 4.0 2.2 1.0
assign (resid 80 and name HN )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 80 and name HN )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 80 and name HA )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 80 and name HA )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 80 and name HD1# )(resid 134 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 80 and name HD1# )(resid 134 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 80 and name HD1# )(resid 134 and name HD2# ) 3.0 4.2 3.3 ! !#
assign (resid 80 and name HD2# )(resid 69 and name HG ) 4.0 3.7 2.5 !
assign (resid 80 and name HD2# )(resid 122 and name HG1# ) 4.0 4.7 3.5 ! !#
!Gln-81
assign (resid 81 and name HN )(resid 81 and name HA ) 3.0 1.2 0.5
assign (resid 81 and name HA )(resid 81 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 81 and name HN )(resid 80 and name HA ) 2.5 0.7 0.2
assign (resid 81 and name HN )(resid 80 and name HG ) 2.5 0.7 0.2
assign (resid 81 and name HN )(resid 80 and name HB2 ) 4.0 2.2 1.0
assign (resid 81 and name HN )(resid 80 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 81 and name HN )(resid 80 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 81 and name HN )(resid 71 and name HA ) 4.0 2.2 1.0
!Leu-82
assign (resid 82 and name HN )(resid 82 and name HA ) 3.0 1.2 0.5
assign (resid 82 and name HN )(resid 82 and name HB2 ) 3.0 1.2 0.5
assign (resid 82 and name HN )(resid 82 and name HB1 ) 4.0 2.2 1.0
assign (resid 82 and name HN )(resid 82 and name HG ) 2.5 0.7 0.2
assign (resid 82 and name HN )(resid 82 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 82 and name HA )(resid 82 and name HB2 ) 4.0 2.2 1.0
assign (resid 82 and name HA )(resid 82 and name HB1 ) 2.5 0.7 0.2
assign (resid 82 and name HA )(resid 82 and name HG ) 4.0 2.2 1.0
assign (resid 82 and name HA )(resid 82 and name HD2# ) 2.5 2.2 1.7 !#
assign (resid 82 and name HN )(resid 81 and name HA ) 2.5 0.7 0.2
assign (resid 82 and name HN )(resid 83 and name HN ) 4.0 2.2 1.0
assign (resid 82 and name HN )(resid 81 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 82 and name HA )(resid 69 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 82 and name HD2# )(resid 69 and name HG ) 3.0 2.7 1.8 !
!Glu-83
assign (resid 83 and name HN )(resid 83 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 83 and name HN )(resid 83 and name HB# ) 4.0 2.8 1.6 !#
assign (resid 83 and name HA )(resid 83 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 83 and name HA )(resid 83 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 83 and name HN )(resid 84 and name HN ) 4.0 2.2 1.0
assign (resid 83 and name HN )(resid 82 and name HA ) 2.5 0.7 0.2
assign (resid 83 and name HN )(resid 82 and name HB2 ) 4.0 2.2 1.0
assign (resid 83 and name HN )(resid 82 and name HB1 ) 3.0 1.2 0.5
assign (resid 83 and name HN )(resid 82 and name HG ) 4.0 2.2 1.0
assign (resid 83 and name HN )(resid 82 and name HD* ) 3.0 3.6 2.9 !#
assign (resid 83 and name HN )(resid 67 and name HD2# ) 4.0 3.7 2.5 !#
!Ser-84
assign (resid 84 and name HN )(resid 84 and name HA ) 4.0 2.2 1.0
assign (resid 84 and name HN )(resid 84 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 84 and name HA )(resid 84 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 84 and name HN )(resid 83 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 84 and name HN )(resid 83 and name HG# ) 2.5 1.7 1.2 !#
assign (resid 84 and name HN )(resid 24 and name HD2# ) 4.0 2.2 1.0
assign (resid 84 and name HN )(resid 67 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 84 and name HA )(resid 67 and name HD2# ) 2.5 2.2 1.7 !#
assign (resid 84 and name HB# )(resid 67 and name HD2# ) 2.5 3.2 2.7 ! !#
!Val-85
assign (resid 85 and name HN )(resid 85 and name HA ) 4.0 2.2 1.0
assign (resid 85 and name HN )(resid 85 and name HB ) 4.0 2.2 1.0
assign (resid 85 and name HN )(resid 85 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 85 and name HN )(resid 85 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 85 and name HA )(resid 85 and name HB ) 2.5 0.7 0.2
assign (resid 85 and name HA )(resid 85 and name HG2# ) 4.0 3.3 2.1 !#
assign (resid 85 and name HA )(resid 85 and name HG1# ) 2.5 1.8 1.3 !#
assign (resid 85 and name HN )(resid 86 and name HN ) 4.0 2.2 1.0
assign (resid 85 and name HN )(resid 84 and name HA ) 2.5 0.7 0.2
assign (resid 85 and name HN )(resid 84 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 85 and name HB )(resid 90 and name HB1 ) 4.0 2.2 1.0
assign (resid 85 and name HG2# )(resid 90 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 85 and name HG1# )(resid 90 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 85 and name HN )(resid 68 and name HN ) 4.0 2.2 1.0
assign (resid 85 and name HN )(resid 67 and name HA ) 4.0 2.2 1.0
assign (resid 85 and name HN )(resid 66 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 85 and name HG2# )(resid 68 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 85 and name HG1# )(resid 68 and name HB2 ) 4.0 3.7 2.5 !
!Asp-86
assign (resid 86 and name HN )(resid 86 and name HB1 ) 2.5 0.7 0.2
assign (resid 86 and name HN )(resid 86 and name HB2 ) 2.5 0.7 0.2
assign (resid 86 and name HN )(resid 86 and name HA ) 4.0 2.2 1.0
assign (resid 86 and name HA )(resid 86 and name HB1 ) 4.0 2.2 1.0
assign (resid 86 and name HA )(resid 86 and name HB2 ) 2.5 0.7 0.2
assign (resid 86 and name HN )(resid 90 and name HD2 ) 4.0 2.2 1.0
assign (resid 86 and name HN )(resid 90 and name HE2 ) 4.0 2.2 1.0
assign (resid 86 and name HN )(resid 88 and name HN ) 4.0 2.2 1.0
assign (resid 86 and name HN )(resid 85 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 86 and name HN )(resid 85 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 86 and name HN )(resid 85 and name HB ) 2.5 0.7 0.2
assign (resid 86 and name HN )(resid 85 and name HA ) 2.5 0.7 0.2
assign (resid 86 and name HA )(resid 87 and name HD1 ) 2.5 1.7 1.2 !#
assign (resid 86 and name HA )(resid 87 and name HD2 ) 2.5 1.7 1.2 !#
assign (resid 86 and name HA )(resid 87 and name HG# ) 4.0 3.2 2.0 !#
!Pro-87
assign (resid 87 and name HA )(resid 87 and name HB1 ) 2.5 0.7 0.2
assign (resid 87 and name HA )(resid 87 and name HB2 ) 3.0 1.2 0.3
assign (resid 87 and name HA )(resid 87 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 87 and name HD# )(resid 87 and name HG# ) 2.5 2.7 2.2 ! !#
assign (resid 87 and name HA )(resid 85 and name HG2# ) 4.0 3.7 2.5 !#
!Lys-88
assign (resid 88 and name HN )(resid 88 and name HB2 ) 2.5 0.7 0.2
assign (resid 88 and name HN )(resid 88 and name HB1 ) 4.0 2.2 1.0
assign (resid 88 and name HN )(resid 88 and name HG# ) 2.5 1.7 1.2 !#
assign (resid 88 and name HN )(resid 88 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 88 and name HA )(resid 88 and name HB2 ) 4.0 2.2 1.0
assign (resid 88 and name HA )(resid 88 and name HB1 ) 2.5 0.7 0.2
assign (resid 88 and name HA )(resid 88 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 88 and name HN )(resid 89 and name HN ) 2.5 0.7 0.2
assign (resid 88 and name HN )(resid 90 and name HN ) 4.0 2.2 1.0
assign (resid 88 and name HN )(resid 86 and name HA ) 4.0 2.2 1.0
assign (resid 88 and name HN )(resid 87 and name HA ) 3.0 1.2 0.5
assign (resid 88 and name HN )(resid 87 and name HD1 ) 4.0 3.2 2.0 !#
assign (resid 88 and name HN )(resid 87 and name HD2 ) 4.0 3.2 2.0 !#
assign (resid 88 and name HN )(resid 87 and name HB1 ) 4.0 2.2 1.0
assign (resid 88 and name HN )(resid 87 and name HB2 ) 3.0 1.2 0.5
assign (resid 88 and name HA )(resid 87 and name HB2 ) 4.0 2.2 1.0
!Asn-89
assign (resid 89 and name HN )(resid 89 and name HA ) 4.0 2.2 1.0
assign (resid 89 and name HN )(resid 89 and name HB1 ) 4.0 2.2 1.0
assign (resid 89 and name HN )(resid 89 and name HB2 ) 3.0 1.2 0.5
assign (resid 89 and name HA )(resid 89 and name HB1 ) 2.5 0.7 0.2
assign (resid 89 and name HA )(resid 89 and name HB2 ) 4.0 2.2 1.0
assign (resid 89 and name HN )(resid 90 and name HN ) 2.5 0.7 0.2
assign (resid 89 and name HN )(resid 90 and name HD2 ) 4.0 2.2 1.0
assign (resid 89 and name HN )(resid 87 and name HA ) 4.0 2.2 1.0
assign (resid 89 and name HN )(resid 88 and name HA ) 3.0 1.2 0.5
assign (resid 89 and name HN )(resid 88 and name HB1 ) 3.0 1.2 0.5
assign (resid 89 and name HN )(resid 88 and name HB2 ) 3.0 1.2 0.5
assign (resid 89 and name HN )(resid 88 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 89 and name HN )(resid 86 and name HB1 ) 4.0 2.2 1.0
assign (resid 89 and name HB1 )(resid 86 and name HB1 ) 4.0 2.2 1.0
assign (resid 89 and name HB1 )(resid 92 and name HE# ) 3.0 2.2 1.3 !#
assign (resid 89 and name HB2 )(resid 86 and name HB2 ) 3.0 1.2 0.3
assign (resid 89 and name HB2 )(resid 92 and name HE# ) 3.0 2.2 1.3 !#
!Tyr-90
assign (resid 90 and name HN )(resid 90 and name HD2 ) 3.0 1.2 0.5
assign (resid 90 and name HN )(resid 90 and name HB2 ) 2.5 0.7 0.2
assign (resid 90 and name HN )(resid 90 and name HB1 ) 4.0 2.2 1.0
assign (resid 90 and name HA )(resid 90 and name HB2 ) 2.5 0.7 0.2
assign (resid 90 and name HA )(resid 90 and name HB1 ) 4.0 2.2 1.0
assign (resid 90 and name HD1 )(resid 90 and name HA ) 3.0 1.2 0.3
assign (resid 90 and name HD2 )(resid 90 and name HB2 ) 3.0 1.2 0.3
assign (resid 90 and name HD1 )(resid 90 and name HB1 ) 4.0 2.2 1.0
assign (resid 90 and name HN )(resid 87 and name HA ) 4.0 2.2 1.0
assign (resid 90 and name HN )(resid 89 and name HA ) 4.0 2.2 1.0
assign (resid 90 and name HN )(resid 89 and name HB1 ) 4.0 2.2 1.0
assign (resid 90 and name HB2 )(resid 85 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 90 and name HB1 )(resid 85 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 90 and name HA )(resid 91 and name HA ) 2.5 0.7 0.2
assign (resid 90 and name HD1 )(resid 92 and name HE# ) 4.0 3.2 2.0 !#
assign (resid 90 and name HD1 )(resid 95 and name HE# ) 3.0 2.7 1.8 !#
assign (resid 90 and name HD2 )(resid 85 and name HB ) 3.0 1.2 0.3
assign (resid 90 and name HD2 )(resid 85 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 90 and name HD2 )(resid 85 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 90 and name HD1 )(resid 91 and name HA ) 3.0 1.2 0.3
assign (resid 90 and name HD2 )(resid 86 and name HB1 ) 3.0 1.2 0.3
assign (resid 90 and name HD2 )(resid 86 and name HB2 ) 4.0 2.2 1.0
assign (resid 90 and name HE2 )(resid 85 and name HB ) 3.0 1.2 0.3
assign (resid 90 and name HE2 )(resid 85 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 90 and name HE2 )(resid 85 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 90 and name HE2 )(resid 86 and name HB2 ) 3.0 1.2 0.3
assign (resid 90 and name HE2 )(resid 89 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 90 and name HE1 )(resid 92 and name HE# ) 4.0 3.2 2.0 !#
assign (resid 90 and name HE1 )(resid 92 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 90 and name HE1 )(resid 95 and name HE# ) 2.5 2.2 1.7 !#
assign (resid 90 and name HE1 )(resid 95 and name HA ) 3.0 1.2 0.3
assign (resid 90 and name HE1 )(resid 95 and name HG# ) 3.0 2.2 1.3 !#
assign (resid 90 and name HE2 )(resid 85 and name HA ) 4.0 2.2 1.0
!Pro-91
assign (resid 91 and name HA )(resid 91 and name HB1 ) 3.0 1.2 0.3
assign (resid 91 and name HA )(resid 91 and name HB2 ) 4.0 2.2 1.0
assign (resid 91 and name HA )(resid 90 and name HB2 ) 4.0 2.2 1.0
assign (resid 91 and name HA )(resid 90 and name HB1 ) 3.0 1.2 0.3
assign (resid 91 and name HB1 )(resid 3 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 91 and name HB2 )(resid 3 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 91 and name HG# )(resid 3 and name HG* ) 4.0 5.6 4.4 ! !#
!Lys-92
assign (resid 92 and name HN )(resid 92 and name HA ) 4.0 2.2 1.0
assign (resid 92 and name HA )(resid 92 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 92 and name HN )(resid 90 and name HD1 ) 4.0 2.2 1.0
assign (resid 92 and name HN )(resid 91 and name HA ) 2.5 0.7 0.2
assign (resid 92 and name HN )(resid 91 and name HB1 ) 4.0 2.2 1.0
assign (resid 92 and name HN )(resid 91 and name HB2 ) 4.0 2.2 1.0
assign (resid 92 and name HN )(resid 91 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 92 and name HN )(resid 95 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 92 and name HN )(resid 93 and name HN ) 4.0 2.2 1.0
assign (resid 92 and name HN )(resid 3 and name HG* ) 4.0 4.6 3.4 !#
!Lys-93
assign (resid 93 and name HN )(resid 93 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 93 and name HN )(resid 93 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 93 and name HN )(resid 93 and name HA ) 3.0 1.2 0.5
assign (resid 93 and name HA )(resid 93 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 93 and name HA )(resid 93 and name HG# ) 2.5 1.3 0.8 !#
assign (resid 93 and name HN )(resid 94 and name HN ) 2.5 0.7 0.2
assign (resid 93 and name HN )(resid 92 and name HA ) 2.5 0.7 0.2
assign (resid 93 and name HN )(resid 3 and name HG* ) 2.5 3.1 2.6 !#
assign (resid 93 and name HA )(resid 3 and name HG* ) 3.0 3.6 2.7 !#
assign (resid 93 and name HA )(resid 3 and name HB ) 4.0 2.2 1.0
assign (resid 93 and name HA )(resid 47 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 93 and name HA )(resid 47 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 93 and name HB# )(resid 3 and name HG* ) 3.0 4.6 3.7 ! !#
!Lys-94
assign (resid 94 and name HN )(resid 94 and name HA ) 4.0 2.2 1.0
assign (resid 94 and name HN )(resid 94 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 94 and name HA )(resid 94 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 94 and name HB# )(resid 94 and name HD# ) 4.0 4.2 3.0 ! !#
assign (resid 94 and name HN )(resid 93 and name HA ) 4.0 2.2 1.0
assign (resid 94 and name HN )(resid 92 and name HA ) 4.0 2.2 1.0
assign (resid 94 and name HN )(resid 92 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 94 and name HN )(resid 3 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 94 and name HN )(resid 47 and name HG1# ) 4.0 3.7 2.5 !#
!Met-95
assign (resid 95 and name HN )(resid 95 and name HA ) 4.0 2.2 1.0
assign (resid 95 and name HN )(resid 95 and name HB2 ) 4.0 2.2 1.0
assign (resid 95 and name HN )(resid 95 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 95 and name HA )(resid 95 and name HB2 ) 4.0 2.2 1.0
assign (resid 95 and name HA )(resid 95 and name HB1 ) 3.0 1.2 0.3
assign (resid 95 and name HA )(resid 95 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 95 and name HN )(resid 94 and name HA ) 2.5 0.7 0.2
assign (resid 95 and name HN )(resid 94 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 95 and name HN )(resid 93 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 95 and name HN )(resid 96 and name HN ) 4.0 2.2 1.0
assign (resid 95 and name HA )(resid 94 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 95 and name HN )(resid 47 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 95 and name HN )(resid 47 and name HG2# ) 4.0 3.7 2.5 !#
!Glu-96
assign (resid 96 and name HN )(resid 96 and name HA ) 3.0 1.2 0.5
assign (resid 96 and name HN )(resid 96 and name HB2 ) 3.0 1.2 0.5
assign (resid 96 and name HN )(resid 96 and name HB1 ) 4.0 2.2 1.0
assign (resid 96 and name HN )(resid 96 and name HG1 ) 3.0 2.2 1.5 !#
assign (resid 96 and name HN )(resid 96 and name HG2 ) 3.0 2.2 1.5 !#
assign (resid 96 and name HA )(resid 96 and name HB2 ) 4.0 2.2 1.0
assign (resid 96 and name HA )(resid 96 and name HB1 ) 3.0 1.2 0.3
assign (resid 96 and name HA )(resid 96 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 96 and name HN )(resid 97 and name HN ) 4.0 2.2 1.0
assign (resid 96 and name HN )(resid 99 and name HD1 ) 2.5 0.7 0.2
assign (resid 96 and name HN )(resid 99 and name HE1 ) 3.0 1.2 0.5
assign (resid 96 and name HN )(resid 95 and name HA ) 2.5 0.7 0.2
assign (resid 96 and name HN )(resid 95 and name HB1 ) 4.0 2.2 1.0
assign (resid 96 and name HN )(resid 95 and name HB2 ) 4.0 2.2 1.0
assign (resid 96 and name HN )(resid 90 and name HE1 ) 4.0 2.2 1.0
!Lys-97
assign (resid 97 and name HN )(resid 97 and name HA ) 3.0 1.2 0.5
assign (resid 97 and name HN )(resid 97 and name HB1 ) 3.0 1.2 0.5
assign (resid 97 and name HN )(resid 97 and name HB2 ) 2.5 0.7 0.2
assign (resid 97 and name HN )(resid 97 and name HD# ) 2.5 1.7 1.2 !#
assign (resid 97 and name HN )(resid 97 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 97 and name HA )(resid 97 and name HB1 ) 2.5 0.7 0.2
assign (resid 97 and name HA )(resid 97 and name HB2 ) 4.0 2.2 1.0
assign (resid 97 and name HA )(resid 97 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 97 and name HA )(resid 97 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 97 and name HN )(resid 98 and name HN ) 2.5 0.7 0.2
assign (resid 97 and name HN )(resid 97 and name HA ) 3.0 1.2 0.5
assign (resid 97 and name HN )(resid 96 and name HA ) 2.5 0.7 0.2
assign (resid 97 and name HN )(resid 96 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 97 and name HN )(resid 96 and name HB2 ) 4.0 2.2 1.0
assign (resid 97 and name HN )(resid 96 and name HB1 ) 3.0 1.2 0.5
assign (resid 97 and name HN )(resid 100 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 97 and name HA )(resid 100 and name HB ) 4.0 2.2 1.0
assign (resid 97 and name HA )(resid 100 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 97 and name HA )(resid 100 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 97 and name HA )(resid 115 and name HB# ) 4.0 3.7 2.5 !#
!Arg-98
assign (resid 98 and name HN )(resid 98 and name HA ) 3.0 1.2 0.5
assign (resid 98 and name HN )(resid 98 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 98 and name HN )(resid 98 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 98 and name HA )(resid 98 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 98 and name HA )(resid 98 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 98 and name HA )(resid 98 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 98 and name HN )(resid 100 and name HN ) 4.0 2.2 1.0
assign (resid 98 and name HN )(resid 99 and name HD1 ) 4.0 2.2 1.0
assign (resid 98 and name HN )(resid 96 and name HA ) 4.0 2.2 1.0
assign (resid 98 and name HN )(resid 97 and name HA ) 4.0 2.2 1.0
assign (resid 98 and name HN )(resid 97 and name HB1 ) 4.0 2.2 1.0
assign (resid 98 and name HN )(resid 97 and name HB2 ) 3.0 1.2 0.5
assign (resid 98 and name HN )(resid 96 and name HB2 ) 4.0 2.2 1.0
assign (resid 98 and name HN )(resid 96 and name HB1 ) 3.0 1.2 0.5
!Phe-99
assign (resid 99 and name HN )(resid 99 and name HD1 ) 2.5 0.7 0.2
assign (resid 99 and name HN )(resid 99 and name HA ) 4.0 2.2 1.0
assign (resid 99 and name HN )(resid 99 and name HB1 ) 4.0 2.2 1.0
assign (resid 99 and name HN )(resid 99 and name HB2 ) 2.5 0.7 0.2
assign (resid 99 and name HA )(resid 99 and name HB1 ) 3.0 1.2 0.3
assign (resid 99 and name HA )(resid 99 and name HB2 ) 4.0 2.2 1.0
assign (resid 99 and name HD2 )(resid 99 and name HA ) 3.0 1.2 0.3
assign (resid 99 and name HD2 )(resid 99 and name HB1 ) 3.0 1.2 0.3
assign (resid 99 and name HD1 )(resid 99 and name HB2 ) 3.0 1.2 0.3
assign (resid 99 and name HN )(resid 100 and name HN ) 2.5 0.7 0.2
assign (resid 99 and name HN )(resid 98 and name HA ) 4.0 2.2 1.0
assign (resid 99 and name HN )(resid 100 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 99 and name HN )(resid 100 and name HB ) 4.0 2.2 1.0
assign (resid 99 and name HN )(resid 98 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 99 and name HN )(resid 98 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 99 and name HN )(resid 96 and name HB2 ) 4.0 2.2 1.0
assign (resid 99 and name HA )(resid 98 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 99 and name HB1 )(resid 95 and name HE# ) 3.0 2.7 1.8 !#
assign (resid 99 and name HB2 )(resid 95 and name HE# ) 4.0 3.7 2.5 !#
assign (resid 99 and name HB2 )(resid 95 and name HG# ) 3.0 2.2 1.3 !#
assign (resid 99 and name HB2 )(resid 100 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 99 and name HD2 )(resid 101 and name HE1 ) 4.0 2.2 1.0
assign (resid 99 and name HD1 )(resid 96 and name HB1 ) 4.0 2.2 1.0
assign (resid 99 and name HD1 )(resid 96 and name HB2 ) 4.0 2.2 1.0
assign (resid 99 and name HD1 )(resid 95 and name HE# ) 3.0 2.7 1.8 !#
assign (resid 99 and name HE# )(resid 98 and name HG# ) 4.0 5.2 4.0 ! !#
assign (resid 99 and name HE1 )(resid 96 and name HB1 ) 4.0 2.2 1.0
assign (resid 99 and name HE1 )(resid 96 and name HB2 ) 4.0 2.2 1.0
assign (resid 99 and name HD2 )(resid 68 and name HB1 ) 4.0 2.2 1.0
assign (resid 99 and name HD2 )(resid 68 and name HB2 ) 4.0 2.2 1.0
assign (resid 99 and name HD2 )(resid 70 and name HA ) 4.0 2.2 1.0
assign (resid 99 and name HD2 )(resid 70 and name HB1 ) 3.0 1.2 0.3
assign (resid 99 and name HD2 )(resid 70 and name HB2 ) 4.0 2.2 1.0
assign (resid 99 and name HE2 )(resid 68 and name HB2 ) 4.0 2.2 1.0
assign (resid 99 and name HE2 )(resid 70 and name HB1 ) 3.0 1.2 0.3
assign (resid 99 and name HE2 )(resid 83 and name HB1 ) 4.0 2.2 1.0
assign (resid 99 and name HE2 )(resid 83 and name HB2 ) 4.0 2.2 1.0
assign (resid 99 and name HE2 )(resid 83 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 99 and name HZ )(resid 83 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 99 and name HZ )(resid 85 and name HB ) 4.0 2.2 1.0
assign (resid 99 and name HZ )(resid 85 and name HG1# ) 3.0 2.7 1.8 !#
!Val-100
assign (resid 100 and name HN )(resid 100 and name HA ) 3.0 1.2 0.5
assign (resid 100 and name HN )(resid 100 and name HB ) 2.5 0.7 0.2
assign (resid 100 and name HN )(resid 100 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 100 and name HN )(resid 100 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 100 and name HA )(resid 100 and name HB ) 4.0 2.2 1.0
assign (resid 100 and name HA )(resid 100 and name HG2# ) 4.0 3.3 2.1 !#
assign (resid 100 and name HA )(resid 100 and name HG1# ) 3.0 2.3 1.4 !#
assign (resid 100 and name HN )(resid 101 and name HN ) 4.0 2.2 1.0
assign (resid 100 and name HN )(resid 99 and name HA ) 4.0 2.2 1.0
assign (resid 100 and name HN )(resid 98 and name HA ) 4.0 2.2 1.0
assign (resid 100 and name HN )(resid 97 and name HA ) 3.0 1.2 0.5
assign (resid 100 and name HN )(resid 97 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 100 and name HN )(resid 99 and name HB2 ) 4.0 2.2 1.0
assign (resid 100 and name HB )(resid 97 and name HD# ) 3.0 2.2 1.3 !#
assign (resid 100 and name HG2# )(resid 95 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 100 and name HG2# )(resid 97 and name HD# ) 4.0 4.7 3.5 ! !#
assign (resid 100 and name HG2# )(resid 97 and name HB# ) 4.0 4.7 3.5 ! !#
assign (resid 100 and name HN )(resid 115 and name HB# ) 3.0 2.7 2.0 !#
assign (resid 100 and name HA )(resid 59 and name HB# ) 4.0 3.7 2.5 !#
!Phe-101
assign (resid 101 and name HN )(resid 101 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HN )(resid 101 and name HB# ) 3.0 1.8 1.1 !#
assign (resid 101 and name HN )(resid 101 and name HD1 ) 2.5 0.7 0.2
assign (resid 101 and name HD1 )(resid 101 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HD2 )(resid 101 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HD1 )(resid 101 and name HB2 ) 2.5 0.7 0.2
assign (resid 101 and name HD2 )(resid 101 and name HB1 ) 2.5 0.7 0.2
assign (resid 101 and name HN )(resid 100 and name HA ) 2.5 0.7 0.2
assign (resid 101 and name HN )(resid 100 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 101 and name HN )(resid 100 and name HG1# ) 2.5 2.2 1.7 !#
assign (resid 101 and name HN )(resid 100 and name HB ) 4.0 2.2 1.0
assign (resid 101 and name HN )(resid 102 and name HN ) 4.0 2.2 1.0
assign (resid 101 and name HN )(resid 57 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HA )(resid 114 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HD2 )(resid 112 and name HD2 ) 4.0 2.2 1.0
assign (resid 101 and name HD2 )(resid 112 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HD2 )(resid 112 and name HB1 ) 3.0 1.2 0.3
assign (resid 101 and name HD2 )(resid 113 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HD2 )(resid 122 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 101 and name HD2 )(resid 122 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 101 and name HD1 )(resid 60 and name HG ) 4.0 2.2 1.0
assign (resid 101 and name HD1 )(resid 60 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 101 and name HD1 )(resid 59 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HD1 )(resid 69 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 101 and name HD# )(resid 58 and name HG1# ) 4.0 5.7 4.5 ! !#
assign (resid 101 and name HD2 )(resid 114 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HD2 )(resid 121 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HE2 )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 101 and name HE2 )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 101 and name HE# )(resid 80 and name HD1# ) 4.0 5.7 4.5 ! !#
assign (resid 101 and name HE2 )(resid 114 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 101 and name HE2 )(resid 114 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HE1 )(resid 69 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 101 and name HE1 )(resid 60 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 101 and name HE2 )(resid 122 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 101 and name HE1 )(resid 69 and name HB1 ) 4.0 2.2 1.0
assign (resid 101 and name HE1 )(resid 69 and name HB2 ) 4.0 2.2 1.0
assign (resid 101 and name HE2 )(resid 122 and name HG1# ) 3.0 2.2 1.3 !#
assign (resid 101 and name HZ )(resid 80 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 101 and name HZ )(resid 70 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HZ )(resid 69 and name HB2 ) 4.0 2.2 1.0
assign (resid 101 and name HZ )(resid 69 and name HB1 ) 3.0 1.2 0.3
assign (resid 101 and name HZ )(resid 122 and name HD# ) 4.0 3.7 2.5 !#
!Asn-102
assign (resid 102 and name HN )(resid 102 and name HA ) 4.0 2.2 1.0
assign (resid 102 and name HN )(resid 102 and name HB1 ) 4.0 2.2 1.0
assign (resid 102 and name HN )(resid 102 and name HB2 ) 4.0 2.2 1.0
assign (resid 102 and name HA )(resid 102 and name HB1 ) 4.0 2.2 1.0
assign (resid 102 and name HA )(resid 102 and name HB2 ) 3.0 1.2 0.3
assign (resid 102 and name HD21 )(resid 102 and name HB1 ) 3.0 2.2 0.5 !
assign (resid 102 and name HD21 )(resid 102 and name HB2 ) 3.0 2.2 0.5 !
assign (resid 102 and name HN )(resid 103 and name HN ) 4.0 2.2 1.0
assign (resid 102 and name HN )(resid 101 and name HD2 ) 4.0 2.2 1.0
assign (resid 102 and name HN )(resid 101 and name HA ) 2.5 0.7 0.2
assign (resid 102 and name HN )(resid 101 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 102 and name HA )(resid 101 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 102 and name HB1 )(resid 104 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 102 and name HD21 )(resid 100 and name HG* ) 4.0 5.6 3.4 ! !#
assign (resid 102 and name HD21 )(resid 55 and name HD# ) 4.0 4.2 2.0 ! !#
assign (resid 102 and name HD22 )(resid 55 and name HD# ) 4.0 4.2 2.0 ! !#
assign (resid 102 and name HN )(resid 113 and name HN ) 3.0 1.2 0.5
assign (resid 102 and name HN )(resid 115 and name HN ) 3.0 1.2 0.5
assign (resid 102 and name HN )(resid 112 and name HD2 ) 4.0 2.2 1.0
assign (resid 102 and name HN )(resid 113 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 102 and name HN )(resid 114 and name HA ) 4.0 2.2 1.0
assign (resid 102 and name HA )(resid 55 and name HB1 ) 4.0 2.2 1.0
assign (resid 102 and name HB1 )(resid 55 and name HD# ) 3.0 2.2 1.3 !#
assign (resid 102 and name HB2 )(resid 55 and name HD# ) 3.0 2.2 1.3 !#
!Lys-103
assign (resid 103 and name HN )(resid 102 and name HA ) 2.5 0.7 0.2
assign (resid 103 and name HN )(resid 102 and name HB1 ) 4.0 2.2 1.0
assign (resid 103 and name HN )(resid 102 and name HB2 ) 4.0 2.2 1.0
assign (resid 103 and name HN )(resid 112 and name HD2 ) 4.0 2.2 1.0
assign (resid 103 and name HN )(resid 57 and name HA ) 3.0 1.2 0.5
assign (resid 103 and name HA )(resid 58 and name HG1# ) 4.0 3.7 2.5 !#
!Ile-104
assign (resid 104 and name HN )(resid 104 and name HA ) 4.0 2.2 1.0
assign (resid 104 and name HN )(resid 104 and name HB ) 2.5 0.7 0.2
assign (resid 104 and name HN )(resid 104 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 104 and name HN )(resid 104 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 104 and name HN )(resid 104 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 104 and name HA )(resid 104 and name HB ) 4.0 2.2 1.0
assign (resid 104 and name HA )(resid 104 and name HG1# ) 4.0 2.8 1.6 !#
assign (resid 104 and name HA )(resid 104 and name HG2# ) 2.5 1.8 1.3 !#
assign (resid 104 and name HA )(resid 104 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 104 and name HG2# )(resid 104 and name HD# ) 2.5 3.7 3.2 ! !#
assign (resid 104 and name HG2# )(resid 104 and name HG1# ) 3.0 3.7 2.8 ! !#

assign (resid 104 and name HN )(resid 103 and name HA ) 4.0 2.2 1.0
assign (resid 104 and name HN )(resid 105 and name HN ) 4.0 2.2 1.0
assign (resid 104 and name HG2# )(resid 106 and name HD# ) 3.0 4.2 3.3 ! !#
assign (resid 104 and name HN )(resid 111 and name HN ) 3.0 1.2 0.5
assign (resid 104 and name HN )(resid 112 and name HD# ) 4.0 4.2 3.0 !#
assign (resid 104 and name HN )(resid 110 and name HA ) 4.0 2.2 1.0
assign (resid 104 and name HN )(resid 112 and name HA ) 4.0 2.2 1.0
assign (resid 104 and name HN )(resid 110 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 104 and name HA )(resid 111 and name HB# ) 4.0 3.2 2.0 !#
!Glu-105
assign (resid 105 and name HN )(resid 105 and name HA ) 3.0 1.2 0.5
assign (resid 105 and name HN )(resid 105 and name HB1 ) 4.0 2.2 1.0
assign (resid 105 and name HN )(resid 105 and name HB2 ) 2.5 0.7 0.2
assign (resid 105 and name HN )(resid 105 and name HG1 ) 4.0 3.2 2.0 !#
assign (resid 105 and name HN )(resid 105 and name HG2 ) 4.0 3.2 2.0 !#
assign (resid 105 and name HA )(resid 105 and name HB1 ) 2.5 0.7 0.2
assign (resid 105 and name HA )(resid 105 and name HB2 ) 3.0 1.2 0.3
assign (resid 105 and name HA )(resid 105 and name HG1 ) 4.0 2.8 1.6 !#
assign (resid 105 and name HA )(resid 105 and name HG2 ) 4.0 2.8 1.6 !#
assign (resid 105 and name HN )(resid 106 and name HN ) 4.0 2.2 1.0
assign (resid 105 and name HN )(resid 104 and name HA ) 2.5 0.7 0.2
assign (resid 105 and name HN )(resid 104 and name HB ) 3.0 1.2 0.5
assign (resid 105 and name HN )(resid 104 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 105 and name HN )(resid 104 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 105 and name HA )(resid 110 and name HA ) 2.5 0.7 0.2
assign (resid 105 and name HA )(resid 110 and name HD2# ) 2.5 2.2 1.7 !#
assign (resid 105 and name HA )(resid 110 and name HB1 ) 4.0 2.2 1.0
assign (resid 105 and name HB2 )(resid 110 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 105 and name HN )(resid 111 and name HN ) 4.0 2.2 1.0
!Ile-106
assign (resid 106 and name HN )(resid 106 and name HA ) 3.0 1.2 0.5
assign (resid 106 and name HN )(resid 106 and name HB ) 2.5 0.7 0.2
assign (resid 106 and name HN )(resid 106 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 106 and name HN )(resid 106 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 106 and name HA )(resid 106 and name HB ) 3.0 1.2 0.3
assign (resid 106 and name HA )(resid 106 and name HG2# ) 3.0 2.3 1.4 !#
assign (resid 106 and name HA )(resid 106 and name HG11 ) 4.0 2.8 1.6 !#
assign (resid 106 and name HA )(resid 106 and name HG12 ) 4.0 2.8 1.6 !#
assign (resid 106 and name HG2# )(resid 106 and name HG1# ) 4.0 4.7 3.5 ! !#

assign (resid 106 and name HD# )(resid 106 and name HB ) 3.0 2.7 1.8 !
assign (resid 106 and name HD# )(resid 106 and name HG11 ) 2.5 3.2 2.7 ! !#
assign (resid 106 and name HD# )(resid 106 and name HG12 ) 2.5 3.2 2.7 ! !#
assign (resid 106 and name HN )(resid 109 and name HN ) 2.5 0.7 0.2
assign (resid 106 and name HN )(resid 107 and name HN ) 4.0 2.2 1.0
assign (resid 106 and name HN )(resid 105 and name HA ) 2.5 0.7 0.2
assign (resid 106 and name HN )(resid 105 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 106 and name HN )(resid 105 and name HB1 ) 4.0 2.2 1.0
assign (resid 106 and name HN )(resid 105 and name HB2 ) 4.0 2.2 1.0
assign (resid 106 and name HN )(resid 110 and name HA ) 4.0 2.2 1.0
assign (resid 106 and name HN )(resid 110 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 106 and name HB )(resid 104 and name HG2# ) 4.0 3.7 2.5 !#
!Asn-107
assign (resid 107 and name HN )(resid 107 and name HA ) 3.0 1.2 0.5
assign (resid 107 and name HN )(resid 107 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 107 and name HA )(resid 107 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 107 and name HN )(resid 108 and name HN ) 2.5 0.7 0.2
assign (resid 107 and name HN )(resid 109 and name HN ) 4.0 2.2 1.0
assign (resid 107 and name HN )(resid 106 and name HA ) 2.5 0.7 0.2
assign (resid 107 and name HN )(resid 106 and name HB ) 4.0 2.2 1.0
assign (resid 107 and name HN )(resid 106 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 107 and name HN )(resid 106 and name HG2# ) 2.5 2.2 1.7 !#
!Asn-108
assign (resid 108 and name HN )(resid 108 and name HA ) 2.5 0.7 0.2
assign (resid 108 and name HN )(resid 108 and name HB# ) 3.0 1.8 1.1 !#
assign (resid 108 and name HA )(resid 108 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 108 and name HN )(resid 109 and name HN ) 2.5 0.7 0.2
assign (resid 108 and name HN )(resid 106 and name HN ) 4.0 2.2 1.0
assign (resid 108 and name HN )(resid 107 and name HA ) 3.0 1.2 0.5
assign (resid 108 and name HN )(resid 107 and name HB1 ) 4.0 2.2 1.0
assign (resid 108 and name HN )(resid 107 and name HB2 ) 4.0 2.2 1.0
assign (resid 108 and name HN )(resid 106 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 108 and name HN )(resid 105 and name HG# ) 4.0 3.2 2.0 !#
!Lys-109
assign (resid 109 and name HN )(resid 109 and name HA ) 4.0 2.2 1.0
assign (resid 109 and name HN )(resid 109 and name HB1 ) 4.0 2.2 1.0
assign (resid 109 and name HN )(resid 109 and name HB2 ) 2.5 0.7 0.2
assign (resid 109 and name HN )(resid 109 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 109 and name HN )(resid 109 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 109 and name HA )(resid 109 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 109 and name HA )(resid 109 and name HG1 ) 3.0 1.8 0.9 !#
assign (resid 109 and name HA )(resid 109 and name HG2 ) 3.0 1.8 0.9 !#
assign (resid 109 and name HN )(resid 105 and name HA ) 4.0 2.2 1.0
assign (resid 109 and name HN )(resid 108 and name HA ) 3.0 1.2 0.5
assign (resid 109 and name HN )(resid 107 and name HA ) 4.0 2.2 1.0
assign (resid 109 and name HN )(resid 108 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 109 and name HN )(resid 107 and name HB1 ) 4.0 2.2 1.0
assign (resid 109 and name HN )(resid 107 and name HB2 ) 4.0 2.2 1.0
assign (resid 109 and name HN )(resid 110 and name HN ) 4.0 2.2 1.0
assign (resid 109 and name HA )(resid 110 and name HG ) 4.0 2.2 1.0
assign (resid 109 and name HA )(resid 147 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 109 and name HB1 )(resid 145 and name HB1 ) 4.0 2.2 1.0
assign (resid 109 and name HB2 )(resid 145 and name HB1 ) 4.0 2.2 1.0
!Leu-110
assign (resid 110 and name HN )(resid 110 and name HA ) 3.0 1.2 0.5
assign (resid 110 and name HN )(resid 110 and name HB2 ) 2.5 0.7 0.2
assign (resid 110 and name HN )(resid 110 and name HB1 ) 4.0 2.2 1.0
assign (resid 110 and name HN )(resid 110 and name HG ) 3.0 1.2 0.5
assign (resid 110 and name HN )(resid 110 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 110 and name HN )(resid 110 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 110 and name HA )(resid 110 and name HB2 ) 4.0 2.2 1.0
assign (resid 110 and name HA )(resid 110 and name HB1 ) 3.0 1.2 0.3
assign (resid 110 and name HA )(resid 110 and name HG ) 4.0 2.2 1.0
assign (resid 110 and name HA )(resid 110 and name HD2# ) 3.0 2.7 1.8 !#
assign (resid 110 and name HN )(resid 109 and name HA ) 2.5 0.7 0.2
assign (resid 110 and name HN )(resid 109 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 110 and name HN )(resid 111 and name HN ) 4.0 2.2 1.0
assign (resid 110 and name HD1# )(resid 109 and name HA ) 4.0 3.7 2.5 !
assign (resid 110 and name HN )(resid 146 and name HN ) 3.0 1.2 0.5
assign (resid 110 and name HN )(resid 148 and name HN ) 4.0 2.2 1.0
assign (resid 110 and name HN )(resid 145 and name HA ) 4.0 2.2 1.0
assign (resid 110 and name HN )(resid 145 and name HB1 ) 4.0 2.2 1.0
assign (resid 110 and name HN )(resid 146 and name HB2 ) 4.0 2.2 1.0
assign (resid 110 and name HD1# )(resid 148 and name HB# ) 3.0 3.7 2.8 ! !#
!Glu-111
assign (resid 111 and name HN )(resid 111 and name HA ) 4.0 2.2 1.0
assign (resid 111 and name HN )(resid 111 and name HB# ) 4.0 2.8 1.6 !#
assign (resid 111 and name HA )(resid 111 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 111 and name HA )(resid 111 and name HG1 ) 4.0 2.8 1.6 !#
assign (resid 111 and name HA )(resid 111 and name HG2 ) 4.0 2.8 1.6 !#
assign (resid 111 and name HN )(resid 112 and name HD1 ) 4.0 2.2 1.0
assign (resid 111 and name HN )(resid 105 and name HA ) 4.0 2.2 1.0
assign (resid 111 and name HN )(resid 110 and name HB2 ) 4.0 2.2 1.0
assign (resid 111 and name HN )(resid 110 and name HB1 ) 3.0 1.2 0.5
assign (resid 111 and name HN )(resid 110 and name HD2# ) 2.5 2.2 1.7 !#
assign (resid 111 and name HA )(resid 110 and name HB1 ) 4.0 2.2 1.0
assign (resid 111 and name HN )(resid 105 and name HN ) 4.0 2.2 1.0
assign (resid 111 and name HN )(resid 104 and name HB ) 4.0 2.2 1.0
assign (resid 111 and name HN )(resid 105 and name HA ) 4.0 2.2 1.0
assign (resid 111 and name HN )(resid 104 and name HG1# ) 4.0 3.2 2.0 !#
!Phe-112
assign (resid 112 and name HN )(resid 112 and name HD1 ) 4.0 2.2 1.0
assign (resid 112 and name HN )(resid 112 and name HA ) 4.0 2.2 1.0
assign (resid 112 and name HD2 )(resid 112 and name HA ) 4.0 2.2 1.0
assign (resid 112 and name HD2 )(resid 112 and name HB1 ) 3.0 1.2 0.3
assign (resid 112 and name HD1 )(resid 112 and name HB2 ) 3.0 1.2 0.3
assign (resid 112 and name HN )(resid 111 and name HA ) 4.0 2.2 1.0
assign (resid 112 and name HD1 )(resid 110 and name HB2 ) 4.0 2.2 1.0
assign (resid 112 and name HD1 )(resid 110 and name HB1 ) 4.0 2.2 1.0
assign (resid 112 and name HE1 )(resid 110 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 112 and name HE1 )(resid 110 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 112 and name HZ )(resid 110 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 112 and name HA )(resid 101 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 112 and name HD2 )(resid 60 and name HG ) 4.0 2.2 1.0
assign (resid 112 and name HD2 )(resid 58 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 112 and name HD1 )(resid 146 and name HE1 ) 4.0 2.2 1.0
assign (resid 112 and name HD2 )(resid 101 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 112 and name HD2 )(resid 60 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 112 and name HD2 )(resid 60 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 112 and name HD1 )(resid 122 and name HD# ) 2.5 2.2 1.7 !#
assign (resid 112 and name HD1 )(resid 10 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 112 and name HD2 )(resid 103 and name HA ) 4.0 2.2 1.0
assign (resid 112 and name HD2 )(resid 103 and name HB1 ) 4.0 2.2 1.0
assign (resid 112 and name HD2 )(resid 103 and name HB2 ) 4.0 2.2 1.0
assign (resid 112 and name HE1 )(resid 10 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 112 and name HE1 )(resid 10 and name HD2# ) 3.0 2.7 1.8 !#
assign (resid 112 and name HE2 )(resid 103 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 112 and name HE2 )(resid 103 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 112 and name HE2 )(resid 103 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 112 and name HE2 )(resid 58 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 112 and name HE2 )(resid 58 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 112 and name HE1 )(resid 146 and name HB1 ) 4.0 2.2 1.0
assign (resid 112 and name HE1 )(resid 146 and name HB2 ) 3.0 1.2 0.3
assign (resid 112 and name HE1 )(resid 146 and name HD# ) 3.0 3.2 2.3 !#
assign (resid 112 and name HZ )(resid 60 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 112 and name HZ )(resid 60 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 112 and name HZ )(resid 10 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 112 and name HZ )(resid 10 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 112 and name HZ )(resid 148 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 112 and name HZ )(resid 146 and name HB1 ) 4.0 2.2 1.0
assign (resid 112 and name HZ )(resid 146 and name HB2 ) 4.0 2.2 1.0
assign (resid 112 and name HZ )(resid 10 and name HG ) 4.0 2.2 1.0
!Glu-113
assign (resid 113 and name HN )(resid 113 and name HA ) 4.0 2.2 1.0
assign (resid 113 and name HN )(resid 113 and name HB# ) 4.0 2.8 1.6 !#
assign (resid 113 and name HN )(resid 113 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 113 and name HA )(resid 113 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 113 and name HN )(resid 112 and name HD2 ) 4.0 2.2 1.0
assign (resid 113 and name HN )(resid 112 and name HA ) 2.5 0.7 0.2
assign (resid 113 and name HN )(resid 112 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 113 and name HN )(resid 101 and name HD2 ) 4.0 2.2 1.0
assign (resid 113 and name HN )(resid 121 and name HE1 ) 4.0 2.2 1.0
assign (resid 113 and name HN )(resid 121 and name HD1 ) 4.0 2.2 1.0
assign (resid 113 and name HN )(resid 104 and name HD# ) 3.0 2.7 2.0 !#
assign (resid 113 and name HN )(resid 104 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 113 and name HN )(resid 102 and name HB1 ) 4.0 2.2 1.0
assign (resid 113 and name HN )(resid 102 and name HB2 ) 3.0 1.2 0.5
assign (resid 113 and name HA )(resid 121 and name HA ) 4.0 2.2 1.0
assign (resid 113 and name HB# )(resid 104 and name HG1# ) 4.0 4.2 3.0 ! !#
!Ser-114
assign (resid 114 and name HN )(resid 114 and name HA ) 4.0 2.2 1.0
assign (resid 114 and name HN )(resid 114 and name HB1 ) 2.5 0.7 0.2
assign (resid 114 and name HN )(resid 114 and name HB2 ) 3.0 1.2 0.5
assign (resid 114 and name HA )(resid 114 and name HB1 ) 4.0 2.2 1.0
assign (resid 114 and name HA )(resid 114 and name HB2 ) 3.0 1.2 0.3
assign (resid 114 and name HN )(resid 115 and name HN ) 4.0 2.2 1.0
assign (resid 114 and name HN )(resid 119 and name HN ) 4.0 2.2 1.0
assign (resid 114 and name HN )(resid 113 and name HA ) 2.5 0.7 0.2
assign (resid 114 and name HN )(resid 113 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 114 and name HA )(resid 115 and name HB# ) 4.0 3.7 2.5 !#
assign (resid 114 and name HB1 )(resid 113 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 114 and name HN )(resid 121 and name HD# ) 4.0 4.2 3.0 !#
assign (resid 114 and name HN )(resid 121 and name HA ) 3.0 1.2 0.5
assign (resid 114 and name HN )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 114 and name HN )(resid 134 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 114 and name HN )(resid 120 and name HB1 ) 4.0 2.2 1.0
assign (resid 114 and name HA )(resid 122 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 114 and name HB1 )(resid 71 and name HB1 ) 4.0 2.2 1.0
assign (resid 114 and name HB1 )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 114 and name HB2 )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 114 and name HB2 )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 114 and name HB2 )(resid 120 and name HB1 ) 4.0 2.2 1.0
!Ala-115
assign (resid 115 and name HN )(resid 115 and name HA ) 3.0 1.2 0.5
assign (resid 115 and name HN )(resid 115 and name HB# ) 2.5 1.8 1.3 !#
assign (resid 115 and name HN )(resid 116 and name HN ) 4.0 2.2 1.0
assign (resid 115 and name HN )(resid 117 and name HN ) 4.0 2.2 1.0
assign (resid 115 and name HN )(resid 114 and name HA ) 3.0 1.2 0.5
assign (resid 115 and name HN )(resid 114 and name HB1 ) 4.0 2.2 1.0
assign (resid 115 and name HN )(resid 116 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 115 and name HN )(resid 101 and name HD2 ) 4.0 2.2 1.0
assign (resid 115 and name HN )(resid 101 and name HA ) 3.0 1.2 0.5
assign (resid 115 and name HN )(resid 100 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 115 and name HN )(resid 100 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 115 and name HN )(resid 100 and name HB ) 4.0 2.2 1.0
assign (resid 115 and name HN )(resid 71 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 115 and name HB# )(resid 100 and name HB ) 2.5 2.2 1.7 !
assign (resid 115 and name HB# )(resid 97 and name HE# ) 3.0 3.7 2.8 ! !#
assign (resid 115 and name HB# )(resid 100 and name HG2# ) 2.5 3.7 3.2 ! !#
!Gln-116
assign (resid 116 and name HN )(resid 116 and name HA ) 4.0 2.2 1.0
assign (resid 116 and name HN )(resid 116 and name HB1 ) 2.5 0.7 0.2
assign (resid 116 and name HN )(resid 116 and name HB2 ) 4.0 2.2 1.0
assign (resid 116 and name HN )(resid 116 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 116 and name HA )(resid 116 and name HG1 ) 3.0 1.8 0.9 !#
assign (resid 116 and name HA )(resid 116 and name HG2 ) 3.0 1.8 0.9 !#
assign (resid 116 and name HA )(resid 116 and name HB1 ) 4.0 2.2 1.0
assign (resid 116 and name HA )(resid 116 and name HB2 ) 4.0 2.2 1.0
assign (resid 116 and name HN )(resid 117 and name HN ) 2.5 0.7 0.2
assign (resid 116 and name HN )(resid 117 and name HD2 ) 4.0 2.2 1.0
assign (resid 116 and name HN )(resid 114 and name HN ) 4.0 2.2 1.0
assign (resid 116 and name HN )(resid 115 and name HA ) 4.0 2.2 1.0
assign (resid 116 and name HN )(resid 114 and name HA ) 4.0 2.2 1.0
assign (resid 116 and name HN )(resid 115 and name HB# ) 2.5 2.2 1.7 !#
assign (resid 116 and name HA )(resid 97 and name HE# ) 4.0 3.2 2.0 !#
!Phe-117
assign (resid 117 and name HN )(resid 117 and name HD2 ) 3.0 1.2 0.5
assign (resid 117 and name HN )(resid 117 and name HA ) 4.0 2.2 1.0
assign (resid 117 and name HN )(resid 117 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 117 and name HA )(resid 117 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 117 and name HD1 )(resid 117 and name HA ) 4.0 2.2 1.0
assign (resid 117 and name HD1 )(resid 117 and name HB1 ) 4.0 2.2 1.0
assign (resid 117 and name HD2 )(resid 117 and name HB2 ) 4.0 2.2 1.0
assign (resid 117 and name HN )(resid 114 and name HN ) 4.0 2.2 1.0
assign (resid 117 and name HN )(resid 116 and name HN ) 2.5 0.7 0.2
assign (resid 117 and name HN )(resid 114 and name HA ) 4.0 2.2 1.0
assign (resid 117 and name HN )(resid 114 and name HB2 ) 4.0 2.2 1.0
assign (resid 117 and name HN )(resid 114 and name HB1 ) 3.0 1.2 0.5
assign (resid 117 and name HN )(resid 116 and name HA ) 4.0 2.2 1.0
assign (resid 117 and name HN )(resid 118 and name HD1 ) 4.0 3.2 2.0 !#
assign (resid 117 and name HN )(resid 118 and name HD2 ) 4.0 3.2 2.0 !#
assign (resid 117 and name HN )(resid 116 and name HB1 ) 4.0 2.2 1.0
assign (resid 117 and name HN )(resid 116 and name HB2 ) 3.0 1.2 0.3
assign (resid 117 and name HN )(resid 116 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 117 and name HN )(resid 116 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 117 and name HA )(resid 118 and name HD1 ) 3.0 2.2 1.3 !#
assign (resid 117 and name HA )(resid 118 and name HD2 ) 3.0 2.2 1.3 !#
assign (resid 117 and name HE2 )(resid 116 and name HB1 ) 4.0 2.2 1.0
assign (resid 117 and name HD2 )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 117 and name HD2 )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 117 and name HD2 )(resid 71 and name HB1 ) 3.0 1.2 0.3
assign (resid 117 and name HD# )(resid 78 and name HG# ) 4.0 5.2 4.0 ! !#
assign (resid 117 and name HD2 )(resid 78 and name HB1 ) 4.0 2.2 1.0
assign (resid 117 and name HD2 )(resid 78 and name HB2 ) 4.0 2.2 1.0
assign (resid 117 and name HE2 )(resid 72 and name HA ) 3.0 1.2 0.3
assign (resid 117 and name HE1 )(resid 73 and name HG ) 4.0 2.2 1.0
assign (resid 117 and name HE1 )(resid 73 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 117 and name HE2 )(resid 71 and name HB1 ) 4.0 2.2 1.0
assign (resid 117 and name HE2 )(resid 71 and name HB2 ) 4.0 2.2 1.0
assign (resid 117 and name HE1 )(resid 78 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 117 and name HZ )(resid 73 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 117 and name HZ )(resid 73 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 117 and name HZ )(resid 73 and name HG ) 3.0 1.2 0.3
assign (resid 117 and name HZ )(resid 73 and name HB# ) 4.0 3.2 2.0 !#
!Pro-118
assign (resid 118 and name HA )(resid 118 and name HB1 ) 2.5 0.7 0.2
assign (resid 118 and name HA )(resid 118 and name HB2 ) 4.0 2.2 1.0
assign (resid 118 and name HA )(resid 118 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 118 and name HD1 )(resid 118 and name HG1 ) 3.0 3.2 2.3 ! !#
assign (resid 118 and name HD2 )(resid 118 and name HG1 ) 3.0 3.2 2.3 ! !#
assign (resid 118 and name HD1 )(resid 118 and name HG2 ) 3.0 3.2 2.3 ! !#
assign (resid 118 and name HD2 )(resid 118 and name HG2 ) 3.0 3.2 2.3 ! !#
!Asn-119
assign (resid 119 and name HN )(resid 119 and name HA ) 2.5 0.7 0.2
assign (resid 119 and name HN )(resid 119 and name HB1 ) 4.0 2.2 1.0
assign (resid 119 and name HN )(resid 119 and name HB2 ) 4.0 2.2 1.0
assign (resid 119 and name HA )(resid 119 and name HB2 ) 4.0 2.2 1.0
assign (resid 119 and name HA )(resid 119 and name HB1 ) 2.5 0.7 0.2
assign (resid 119 and name HD21 )(resid 119 and name HB1 ) 3.0 2.2 0.5 !
assign (resid 119 and name HD21 )(resid 119 and name HB2 ) 3.0 2.2 0.5 !
assign (resid 119 and name HN )(resid 120 and name HN ) 2.5 0.7 0.2
assign (resid 119 and name HN )(resid 121 and name HE2 ) 4.0 2.2 1.0
assign (resid 119 and name HN )(resid 118 and name HA ) 2.5 0.7 0.2
assign (resid 119 and name HN )(resid 118 and name HB1 ) 3.0 1.2 0.5
assign (resid 119 and name HN )(resid 118 and name HB2 ) 4.0 2.2 1.0
assign (resid 119 and name HN )(resid 113 and name HB# ) 3.0 2.2 1.5 !#
!Trp-120
assign (resid 120 and name HN )(resid 120 and name HD1 ) 2.5 0.7 0.2
assign (resid 120 and name HN )(resid 120 and name HA ) 4.0 2.2 1.0
assign (resid 120 and name HN )(resid 120 and name HB2 ) 2.5 0.7 0.2
assign (resid 120 and name HN )(resid 120 and name HB1 ) 4.0 2.2 1.0
assign (resid 120 and name HD1 )(resid 120 and name HB1 ) 4.0 2.2 1.0
assign (resid 120 and name HD1 )(resid 120 and name HB2 ) 4.0 2.2 1.0
assign (resid 120 and name HN )(resid 121 and name HN ) 4.0 2.2 1.0
assign (resid 120 and name HN )(resid 118 and name HA ) 3.0 1.2 0.5
assign (resid 120 and name HN )(resid 119 and name HA ) 3.0 1.2 0.5
assign (resid 120 and name HN )(resid 119 and name HB2 ) 4.0 2.2 1.0
assign (resid 120 and name HN )(resid 117 and name HB1 ) 4.0 2.2 1.0
assign (resid 120 and name HN )(resid 117 and name HB2 ) 4.0 2.2 1.0
assign (resid 120 and name HN )(resid 118 and name HB1 ) 4.0 2.2 1.0
assign (resid 120 and name HN )(resid 118 and name HB2 ) 4.0 2.2 1.0
assign (resid 120 and name HE1 )(resid 117 and name HB1 ) 4.0 2.2 1.0
assign (resid 120 and name HE1 )(resid 117 and name HB2 ) 4.0 2.2 1.0
assign (resid 120 and name HD1 )(resid 117 and name HB1 ) 3.0 1.2 0.3
assign (resid 120 and name HD1 )(resid 117 and name HB2 ) 3.0 1.2 0.3
assign (resid 120 and name HD1 )(resid 119 and name HB1 ) 4.0 2.2 1.0
assign (resid 120 and name HN )(resid 113 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 120 and name HA )(resid 136 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 120 and name HZ2 )(resid 78 and name HD1 ) 4.0 3.2 2.0 !#
assign (resid 120 and name HZ2 )(resid 78 and name HD2 ) 4.0 3.2 2.0 !#
assign (resid 120 and name HH2 )(resid 77 and name HE# ) 4.0 3.2 2.0 !#
assign (resid 120 and name HH2 )(resid 77 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 120 and name HH2 )(resid 77 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 120 and name HH2 )(resid 78 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 120 and name HZ3 )(resid 77 and name HE# ) 4.0 3.2 2.0 !#
assign (resid 120 and name HZ3 )(resid 135 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 120 and name HZ3 )(resid 135 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 120 and name HZ3 )(resid 134 and name HG ) 4.0 2.2 1.0
assign (resid 120 and name HZ3 )(resid 134 and name HB1 ) 4.0 2.2 1.0
assign (resid 120 and name HE3 )(resid 135 and name HA2 ) 3.0 1.2 0.3 !#
assign (resid 120 and name HE3 )(resid 135 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 120 and name HE3 )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 120 and name HE3 )(resid 134 and name HD2# ) 3.0 2.7 1.8 !#
assign (resid 120 and name HE3 )(resid 134 and name HG ) 3.0 1.2 0.3
assign (resid 120 and name HE3 )(resid 136 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 120 and name HE3 )(resid 78 and name HB2 ) 3.0 1.2 0.3
assign (resid 120 and name HE3 )(resid 78 and name HB1 ) 4.0 2.2 1.0
assign (resid 120 and name HE1 )(resid 78 and name HG# ) 4.0 3.2 2.0 !#
!Tyr-121
assign (resid 121 and name HN )(resid 121 and name HD2 ) 3.0 1.2 0.5
assign (resid 121 and name HN )(resid 121 and name HA ) 4.0 2.2 1.0
assign (resid 121 and name HN )(resid 121 and name HB1 ) 4.0 2.2 1.0
assign (resid 121 and name HN )(resid 121 and name HB2 ) 3.0 1.2 0.5
assign (resid 121 and name HA )(resid 121 and name HB1 ) 3.0 1.2 0.3
assign (resid 121 and name HA )(resid 121 and name HB2 ) 4.0 2.2 1.0
assign (resid 121 and name HD1 )(resid 121 and name HA ) 4.0 2.2 1.0
assign (resid 121 and name HD2 )(resid 121 and name HA ) 4.0 2.2 1.0
assign (resid 121 and name HD1 )(resid 121 and name HB1 ) 3.0 1.2 0.3
assign (resid 121 and name HD2 )(resid 121 and name HB2 ) 4.0 2.2 1.0
assign (resid 121 and name HN )(resid 120 and name HB2 ) 4.0 2.2 1.0
assign (resid 121 and name HN )(resid 120 and name HB1 ) 3.0 1.2 0.5
assign (resid 121 and name HN )(resid 120 and name HA ) 2.5 0.7 0.2
assign (resid 121 and name HD2 )(resid 120 and name HA ) 4.0 2.2 1.0
assign (resid 121 and name HD2 )(resid 119 and name HA ) 4.0 2.2 1.0
assign (resid 121 and name HE2 )(resid 120 and name HA ) 4.0 2.2 1.0
assign (resid 121 and name HE2 )(resid 119 and name HA ) 2.5 0.7 0.2
assign (resid 121 and name HE2 )(resid 119 and name HB2 ) 4.0 2.2 1.0
assign (resid 121 and name HE2 )(resid 119 and name HB1 ) 4.0 2.2 1.0
assign (resid 121 and name HN )(resid 134 and name HA ) 4.0 2.2 1.0
assign (resid 121 and name HN )(resid 136 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 121 and name HN )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 121 and name HN )(resid 134 and name HG ) 4.0 2.2 1.0
assign (resid 121 and name HD1 )(resid 113 and name HA ) 4.0 2.2 1.0
assign (resid 121 and name HD2 )(resid 136 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 121 and name HD2 )(resid 144 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 121 and name HD# )(resid 113 and name HG# ) 4.0 5.2 4.0 ! !#
assign (resid 121 and name HD2 )(resid 138 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 121 and name HD2 )(resid 138 and name HA ) 4.0 2.2 1.0
assign (resid 121 and name HD2 )(resid 138 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 121 and name HD1 )(resid 111 and name HA ) 4.0 2.2 1.0
assign (resid 121 and name HD1 )(resid 144 and name HB ) 4.0 2.2 1.0
assign (resid 121 and name HD1 )(resid 111 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 121 and name HD1 )(resid 104 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 121 and name HE1 )(resid 104 and name HD# ) 2.5 2.2 1.7 !#
assign (resid 121 and name HE1 )(resid 104 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 121 and name HE1 )(resid 111 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 121 and name HE2 )(resid 138 and name HG# ) 4.0 3.2 2.0 !#
!Ile-122
assign (resid 122 and name HN )(resid 122 and name HA ) 3.0 1.2 0.5
assign (resid 122 and name HN )(resid 122 and name HB ) 2.5 0.7 0.2
assign (resid 122 and name HN )(resid 122 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 122 and name HN )(resid 122 and name HG1# ) 3.0 2.2 1.5 !#
assign (resid 122 and name HN )(resid 122 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 122 and name HA )(resid 122 and name HB ) 4.0 2.2 1.0
assign (resid 122 and name HA )(resid 122 and name HG1# ) 4.0 2.8 1.6 !#
assign (resid 122 and name HA )(resid 122 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 122 and name HA )(resid 122 and name HG2# ) 3.0 2.3 1.4 !#
assign (resid 122 and name HD# )(resid 122 and name HG11 ) 3.0 3.7 2.8 ! !#
assign (resid 122 and name HD# )(resid 122 and name HG12 ) 3.0 3.7 2.8 ! !#
assign (resid 122 and name HD# )(resid 122 and name HB ) 3.0 2.7 1.8 !
assign (resid 122 and name HG2# )(resid 122 and name HD# ) 2.5 3.7 3.2 ! !#
assign (resid 122 and name HG2# )(resid 122 and name HG1# ) 4.0 4.7 3.5 ! !#

assign (resid 122 and name HN )(resid 123 and name HN ) 4.0 2.2 1.0
assign (resid 122 and name HN )(resid 121 and name HD2 ) 4.0 2.2 1.0
assign (resid 122 and name HN )(resid 121 and name HA ) 2.5 0.7 0.2
assign (resid 122 and name HN )(resid 121 and name HB1 ) 4.0 2.2 1.0
assign (resid 122 and name HN )(resid 121 and name HB2 ) 4.0 2.2 1.0
assign (resid 122 and name HN )(resid 134 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 122 and name HA )(resid 80 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 122 and name HA )(resid 80 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 122 and name HA )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 122 and name HA )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 122 and name HA )(resid 134 and name HA ) 3.0 1.2 0.3
assign (resid 122 and name HD# )(resid 80 and name HD1# ) 4.0 5.2 4.0 ! !#
assign (resid 122 and name HD# )(resid 80 and name HD2# ) 4.0 5.2 4.0 ! !#
assign (resid 122 and name HD# )(resid 69 and name HD# ) 3.0 5.1 4.2 ! !#
assign (resid 122 and name HD# )(resid 60 and name HD2# ) 4.0 5.2 4.0 ! !#
assign (resid 122 and name HD# )(resid 112 and name HB1 ) 3.0 2.7 1.8 !
assign (resid 122 and name HD# )(resid 112 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 122 and name HD# )(resid 101 and name HB# ) 4.0 4.7 3.5 ! !#
assign (resid 122 and name HG2# )(resid 80 and name HD1# ) 4.0 5.2 4.0 ! !#
assign (resid 122 and name HG2# )(resid 80 and name HD2# ) 4.0 5.2 4.0 ! !#
assign (resid 122 and name HG2# )(resid 69 and name HD# ) 4.0 6.1 4.9 ! !#
!Ser-123
assign (resid 123 and name HN )(resid 123 and name HA ) 4.0 2.2 1.0
assign (resid 123 and name HN )(resid 123 and name HB1 ) 4.0 2.2 1.0
assign (resid 123 and name HN )(resid 123 and name HB2 ) 3.0 1.2 0.5
assign (resid 123 and name HA )(resid 123 and name HB1 ) 3.0 1.2 0.3
assign (resid 123 and name HA )(resid 123 and name HB2 ) 4.0 2.2 1.0
assign (resid 123 and name HN )(resid 122 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 123 and name HN )(resid 122 and name HB ) 4.0 2.2 1.0
assign (resid 123 and name HN )(resid 122 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 123 and name HN )(resid 122 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 123 and name HN )(resid 133 and name HN ) 3.0 1.2 0.5
assign (resid 123 and name HN )(resid 134 and name HA ) 4.0 2.2 1.0
assign (resid 123 and name HN )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 123 and name HA )(resid 144 and name HA ) 4.0 2.2 1.0
!Thr-124
assign (resid 124 and name HA )(resid 124 and name HB ) 2.5 0.7 0.2
assign (resid 124 and name HA )(resid 124 and name HG2# ) 2.5 1.8 1.3 !#
assign (resid 124 and name HN )(resid 123 and name HA ) 4.0 2.2 1.0
assign (resid 124 and name HA )(resid 132 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 124 and name HB )(resid 28 and name HB# ) 2.5 2.2 1.7 !#
assign (resid 124 and name HB )(resid 132 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 124 and name HB )(resid 12 and name HB2 ) 4.0 2.2 1.0
assign (resid 124 and name HB )(resid 16 and name HE# ) 4.0 3.2 2.0 !#
assign (resid 124 and name HG2# )(resid 12 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 124 and name HG2# )(resid 12 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 124 and name HG2# )(resid 18 and name HD1# ) 2.5 3.7 3.2 ! !#
assign (resid 124 and name HG2# )(resid 18 and name HD2# ) 4.0 5.2 4.0 ! !#
!Ser-125
assign (resid 125 and name HN )(resid 125 and name HB2 ) 3.0 1.2 0.5
assign (resid 125 and name HN )(resid 125 and name HB1 ) 3.0 1.2 0.5
assign (resid 125 and name HA )(resid 125 and name HB2 ) 2.5 0.7 0.2
assign (resid 125 and name HA )(resid 125 and name HB1 ) 4.0 2.2 1.0
assign (resid 125 and name HB2 )(resid 130 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 125 and name HB2 )(resid 130 and name HB2 ) 4.0 2.2 1.0
assign (resid 125 and name HB2 )(resid 130 and name HB1 ) 3.0 1.2 0.3
assign (resid 125 and name HB1 )(resid 130 and name HG# ) 3.0 2.2 1.3 !#
assign (resid 125 and name HB1 )(resid 130 and name HB2 ) 3.0 1.2 0.3
assign (resid 125 and name HB1 )(resid 130 and name HB1 ) 3.0 1.2 0.3
assign (resid 125 and name HN )(resid 124 and name HA ) 2.5 0.7 0.2
assign (resid 125 and name HN )(resid 124 and name HB ) 2.5 0.7 0.2
assign (resid 125 and name HN )(resid 124 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 125 and name HN )(resid 133 and name HE2 ) 4.0 2.2 1.0
!Gln-126
assign (resid 126 and name HN )(resid 126 and name HA ) 4.0 2.2 1.0
assign (resid 126 and name HN )(resid 126 and name HB2 ) 4.0 2.2 1.0
assign (resid 126 and name HN )(resid 126 and name HB1 ) 2.5 0.7 0.2
assign (resid 126 and name HN )(resid 126 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 126 and name HA )(resid 126 and name HB2 ) 3.0 1.2 0.3
assign (resid 126 and name HA )(resid 126 and name HB1 ) 4.0 2.2 1.0
assign (resid 126 and name HA )(resid 126 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 126 and name HN )(resid 127 and name HN ) 2.5 0.7 0.2
assign (resid 126 and name HN )(resid 125 and name HA ) 2.5 0.7 0.2
assign (resid 126 and name HN )(resid 125 and name HB1 ) 4.0 2.2 1.0
assign (resid 126 and name HN )(resid 127 and name HB# ) 4.0 3.7 2.5 !#
assign (resid 126 and name HN )(resid 143 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 126 and name HA )(resid 143 and name HD# ) 2.5 2.2 1.7 !#
assign (resid 126 and name HE21 )(resid 143 and name HD# ) 4.0 4.7 2.5 ! !#
assign (resid 126 and name HE21 )(resid 143 and name HG1# ) 4.0 4.2 2.0 ! !#

assign (resid 126 and name HE22 )(resid 143 and name HD# ) 4.0 4.7 2.5 ! !#
assign (resid 126 and name HE22 )(resid 143 and name HG1# ) 4.0 4.2 2.0 ! !#

!Ala-127
assign (resid 127 and name HN )(resid 127 and name HA ) 2.5 0.7 0.2
assign (resid 127 and name HN )(resid 127 and name HB# ) 2.5 1.8 1.3 !#
assign (resid 127 and name HN )(resid 128 and name HN ) 4.0 2.2 1.0
assign (resid 127 and name HN )(resid 126 and name HB2 ) 4.0 2.2 1.0
assign (resid 127 and name HN )(resid 126 and name HB1 ) 2.5 0.7 0.2
assign (resid 127 and name HN )(resid 126 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 127 and name HN )(resid 125 and name HA ) 3.0 1.2 0.5
assign (resid 127 and name HN )(resid 126 and name HA ) 3.0 1.2 0.5
assign (resid 127 and name HN )(resid 126 and name HB1 ) 3.0 1.2 0.5
assign (resid 127 and name HB# )(resid 130 and name HG1 ) 3.0 3.7 2.8 ! !#
assign (resid 127 and name HB# )(resid 130 and name HG2 ) 3.0 3.7 2.8 ! !#
assign (resid 127 and name HB# )(resid 130 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 127 and name HB# )(resid 130 and name HB2 ) 3.0 2.7 1.8 !
!Glu-128
assign (resid 128 and name HN )(resid 128 and name HA ) 4.0 2.2 1.0
assign (resid 128 and name HN )(resid 128 and name HB1 ) 3.0 1.2 0.5
assign (resid 128 and name HN )(resid 128 and name HB2 ) 2.5 0.7 0.2
assign (resid 128 and name HN )(resid 128 and name HG# ) 2.5 1.7 1.2 !#
assign (resid 128 and name HA )(resid 128 and name HB1 ) 2.5 0.7 0.2
assign (resid 128 and name HA )(resid 128 and name HB2 ) 4.0 2.2 1.0
assign (resid 128 and name HA )(resid 128 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 128 and name HN )(resid 129 and name HN ) 4.0 2.2 1.0
assign (resid 128 and name HN )(resid 127 and name HA ) 2.5 0.7 0.2
assign (resid 128 and name HN )(resid 127 and name HB# ) 4.0 3.7 2.5 !#
assign (resid 128 and name HA )(resid 16 and name HE# ) 4.0 3.2 2.0 !#
assign (resid 128 and name HA )(resid 16 and name HD# ) 4.0 3.2 2.0 !#
!Asn-129
assign (resid 129 and name HN )(resid 129 and name HA ) 2.5 0.7 0.2
assign (resid 129 and name HN )(resid 129 and name HB# ) 3.0 1.8 1.1 !#
assign (resid 129 and name HA )(resid 129 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 129 and name HD21 )(resid 129 and name HB1 ) 3.0 2.2 0.5 !
assign (resid 129 and name HD21 )(resid 129 and name HB2 ) 3.0 2.2 0.5 !
assign (resid 129 and name HD22 )(resid 129 and name HB1 ) 4.0 3.2 1.0 !
assign (resid 129 and name HD22 )(resid 129 and name HB2 ) 4.0 3.2 1.0 !
assign (resid 129 and name HN )(resid 130 and name HN ) 3.0 1.2 0.5
assign (resid 129 and name HN )(resid 128 and name HA ) 2.5 0.7 0.2
assign (resid 129 and name HN )(resid 127 and name HB# ) 4.0 3.7 2.5 !#
assign (resid 129 and name HN )(resid 128 and name HB1 ) 4.0 2.2 1.0
assign (resid 129 and name HN )(resid 30 and name HN ) 4.0 2.2 1.0
assign (resid 129 and name HN )(resid 29 and name HA ) 4.0 2.2 1.0
assign (resid 129 and name HN )(resid 29 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 129 and name HN )(resid 29 and name HB1 ) 3.0 1.2 0.5
assign (resid 129 and name HN )(resid 29 and name HB2 ) 3.0 1.2 0.5
assign (resid 129 and name HA )(resid 27 and name HD# ) 3.0 2.2 1.3 !#
assign (resid 129 and name HA )(resid 27 and name HB1 ) 4.0 2.2 1.0
assign (resid 129 and name HA )(resid 27 and name HB2 ) 4.0 2.2 1.0
assign (resid 129 and name HD21 )(resid 29 and name HD2# ) 4.0 4.7 2.5 ! !#
assign (resid 129 and name HD22 )(resid 29 and name HD2# ) 4.0 4.7 2.5 ! !#
!Met-130
assign (resid 130 and name HN )(resid 130 and name HA ) 4.0 2.2 1.0
assign (resid 130 and name HN )(resid 130 and name HB1 ) 3.0 1.2 0.5
assign (resid 130 and name HN )(resid 130 and name HB2 ) 4.0 2.2 1.0
assign (resid 130 and name HN )(resid 130 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 130 and name HA )(resid 130 and name HB2 ) 2.5 0.7 0.2
assign (resid 130 and name HA )(resid 130 and name HB1 ) 4.0 2.2 1.0
assign (resid 130 and name HA )(resid 130 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 130 and name HN )(resid 129 and name HA ) 4.0 2.2 1.0
assign (resid 130 and name HN )(resid 127 and name HB# ) 4.0 3.7 2.5 !#
assign (resid 130 and name HA )(resid 131 and name HD1 ) 3.0 2.2 1.3 !#
assign (resid 130 and name HA )(resid 131 and name HD2 ) 3.0 2.2 1.3 !#
!Pro-131
assign (resid 131 and name HA )(resid 131 and name HB1 ) 2.5 0.7 0.2
assign (resid 131 and name HA )(resid 131 and name HB2 ) 4.0 2.2 1.0
assign (resid 131 and name HD1 )(resid 131 and name HG# ) 2.5 2.7 2.2 ! !#
assign (resid 131 and name HD2 )(resid 131 and name HG# ) 2.5 2.7 2.2 ! !#
assign (resid 131 and name HD1 )(resid 131 and name HB1 ) 4.0 3.2 2.0 !
assign (resid 131 and name HD1 )(resid 131 and name HB2 ) 3.0 2.2 1.3 !
assign (resid 131 and name HD2 )(resid 131 and name HB1 ) 4.0 3.2 2.0 !
assign (resid 131 and name HD2 )(resid 131 and name HB2 ) 3.0 2.2 1.3 !
assign (resid 131 and name HA )(resid 131 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 131 and name HA )(resid 132 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 131 and name HA )(resid 27 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 131 and name HA )(resid 27 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 131 and name HA )(resid 27 and name HA ) 2.5 0.7 0.2
assign (resid 131 and name HG# )(resid 27 and name HE# ) 4.0 4.2 3.0 ! !#
assign (resid 131 and name HB1 )(resid 25 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 131 and name HB2 )(resid 25 and name HG# ) 4.0 3.2 2.0 !#
!Val-132
assign (resid 132 and name HN )(resid 132 and name HA ) 4.0 2.2 1.0
assign (resid 132 and name HN )(resid 132 and name HB ) 2.5 0.7 0.2
assign (resid 132 and name HN )(resid 132 and name HG* ) 2.5 2.4 1.9 !#
assign (resid 132 and name HA )(resid 132 and name HB ) 4.0 2.2 1.0
assign (resid 132 and name HA )(resid 132 and name HG* ) 2.5 1.3 0.8 !#
assign (resid 132 and name HN )(resid 131 and name HA ) 2.5 0.7 0.2
assign (resid 132 and name HN )(resid 131 and name HB1 ) 4.0 2.2 1.0
assign (resid 132 and name HN )(resid 131 and name HB2 ) 4.0 2.2 1.0
assign (resid 132 and name HN )(resid 27 and name HA ) 3.0 1.2 0.5
assign (resid 132 and name HN )(resid 26 and name HB1 ) 4.0 2.2 1.0
assign (resid 132 and name HN )(resid 26 and name HB1 ) 4.0 2.2 1.0
assign (resid 132 and name HA )(resid 124 and name HA ) 4.0 2.2 1.0
assign (resid 132 and name HA )(resid 124 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 132 and name HG* )(resid 80 and name HD1# ) 3.0 5.1 4.2 ! !#
assign (resid 132 and name HG* )(resid 26 and name HB1 ) 4.0 4.6 3.4 !
assign (resid 132 and name HG* )(resid 26 and name HB2 ) 4.0 4.6 3.4 !
!Phe-133
assign (resid 133 and name HN )(resid 133 and name HD2 ) 2.5 0.7 0.2
assign (resid 133 and name HN )(resid 133 and name HA ) 4.0 2.2 1.0
assign (resid 133 and name HN )(resid 133 and name HB2 ) 4.0 2.2 1.0
assign (resid 133 and name HN )(resid 133 and name HB1 ) 3.0 1.2 0.5
assign (resid 133 and name HA )(resid 133 and name HB1 ) 2.5 0.7 0.2
assign (resid 133 and name HA )(resid 133 and name HB2 ) 2.5 0.7 0.2
assign (resid 133 and name HD2 )(resid 133 and name HB1 ) 2.5 0.7 0.2
assign (resid 133 and name HD1 )(resid 133 and name HB2 ) 2.5 0.7 0.2
assign (resid 133 and name HD1 )(resid 133 and name HA ) 4.0 2.2 1.0
assign (resid 133 and name HD2 )(resid 133 and name HA ) 4.0 2.2 1.0
assign (resid 133 and name HN )(resid 134 and name HN ) 4.0 2.2 1.0
assign (resid 133 and name HN )(resid 132 and name HB ) 4.0 2.2 1.0
assign (resid 133 and name HN )(resid 132 and name HG1# ) 2.5 2.2 1.7 !#
assign (resid 133 and name HN )(resid 132 and name HA ) 2.5 0.7 0.2
assign (resid 133 and name HA )(resid 132 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 133 and name HD2 )(resid 132 and name HA ) 3.0 1.2 0.3
assign (resid 133 and name HD2 )(resid 132 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 133 and name HD1 )(resid 135 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 133 and name HD1 )(resid 135 and name HA2 ) 3.0 1.2 0.3 !#
assign (resid 133 and name HB2 )(resid 134 and name HB2 ) 4.0 2.2 1.0
assign (resid 133 and name HE1 )(resid 135 and name HA1 ) 3.0 1.2 0.3 !#
assign (resid 133 and name HE1 )(resid 135 and name HA2 ) 3.0 1.2 0.3 !#
assign (resid 133 and name HN )(resid 124 and name HA ) 4.0 2.2 1.0
assign (resid 133 and name HN )(resid 122 and name HA ) 4.0 2.2 1.0
assign (resid 133 and name HN )(resid 122 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 133 and name HA )(resid 80 and name HB1 ) 3.0 1.2 0.3
assign (resid 133 and name HA )(resid 80 and name HB2 ) 3.0 1.2 0.3
assign (resid 133 and name HA )(resid 80 and name HD2# ) 2.5 2.2 1.7 !#
assign (resid 133 and name HD2 )(resid 124 and name HA ) 4.0 2.2 1.0
assign (resid 133 and name HD# )(resid 123 and name HB1 ) 4.0 4.2 3.0 !
assign (resid 133 and name HD# )(resid 123 and name HB2 ) 4.0 4.2 3.0 !
assign (resid 133 and name HB1 )(resid 80 and name HB2 ) 4.0 2.2 1.0
assign (resid 133 and name HE2 )(resid 125 and name HA ) 4.0 2.2 1.0
assign (resid 133 and name HE# )(resid 123 and name HB1 ) 4.0 4.2 3.0 !
assign (resid 133 and name HE# )(resid 123 and name HB2 ) 4.0 4.2 3.0 !
assign (resid 133 and name HE2 )(resid 124 and name HA ) 4.0 2.2 1.0
assign (resid 133 and name HE2 )(resid 125 and name HB1 ) 4.0 2.2 1.0
assign (resid 133 and name HE2 )(resid 125 and name HB2 ) 4.0 2.2 1.0
assign (resid 133 and name HE2 )(resid 124 and name HB ) 4.0 2.2 1.0
assign (resid 133 and name HZ )(resid 142 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 133 and name HZ )(resid 123 and name HB2 ) 3.0 1.2 0.3
!Leu-134
assign (resid 134 and name HN )(resid 134 and name HB2 ) 4.0 2.2 1.0
assign (resid 134 and name HN )(resid 134 and name HB1 ) 2.5 0.7 0.2
assign (resid 134 and name HN )(resid 134 and name HG ) 4.0 2.2 1.0
assign (resid 134 and name HN )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 134 and name HN )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 134 and name HA )(resid 134 and name HB2 ) 2.5 0.7 0.2
assign (resid 134 and name HA )(resid 134 and name HB1 ) 4.0 2.2 1.0
assign (resid 134 and name HA )(resid 134 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 134 and name HA )(resid 134 and name HD2# ) 2.5 2.2 1.7 !#
assign (resid 134 and name HD1# )(resid 134 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 134 and name HD1# )(resid 134 and name HB1 ) 3.0 2.7 1.8 !
assign (resid 134 and name HN )(resid 133 and name HD1 ) 3.0 1.2 0.5
assign (resid 134 and name HN )(resid 133 and name HB2 ) 2.5 0.7 0.2
assign (resid 134 and name HN )(resid 133 and name HB1 ) 3.0 1.2 0.5
assign (resid 134 and name HN )(resid 80 and name HN ) 4.0 2.2 1.0
assign (resid 134 and name HA )(resid 122 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 134 and name HD2# )(resid 80 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 134 and name HD2# )(resid 80 and name HB2 ) 3.0 2.7 1.8 !
!Gly-135
assign (resid 135 and name HN )(resid 135 and name HA1 ) 2.5 0.7 0.2 !#
assign (resid 135 and name HN )(resid 135 and name HA2 ) 3.0 1.2 0.5 !#
assign (resid 135 and name HN )(resid 133 and name HD1 ) 4.0 2.2 1.0
assign (resid 135 and name HN )(resid 133 and name HE1 ) 4.0 2.2 1.0
assign (resid 135 and name HN )(resid 134 and name HA ) 2.5 0.7 0.2
assign (resid 135 and name HN )(resid 134 and name HB1 ) 4.0 2.2 1.0
assign (resid 135 and name HN )(resid 134 and name HG ) 4.0 2.2 1.0
assign (resid 135 and name HN )(resid 134 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 135 and name HN )(resid 134 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 135 and name HN )(resid 123 and name HN ) 4.0 2.2 1.0
assign (resid 135 and name HN )(resid 122 and name HA ) 4.0 2.2 1.0
!Gly-136
assign (resid 136 and name HN )(resid 135 and name HA1 ) 3.0 1.2 0.3 !#
assign (resid 136 and name HN )(resid 135 and name HA2 ) 2.5 0.7 0.2 !#
assign (resid 136 and name HN )(resid 137 and name HN ) 3.0 1.2 0.5
assign (resid 136 and name HN )(resid 133 and name HE1 ) 4.0 2.2 1.0
assign (resid 136 and name HN )(resid 136 and name HA1 ) 2.5 0.7 0.2 !#
assign (resid 136 and name HN )(resid 136 and name HA2 ) 3.0 1.2 0.5 !#
assign (resid 136 and name HA1 )(resid 137 and name HG2# ) 4.0 3.7 2.5 ! !#
assign (resid 136 and name HA2 )(resid 137 and name HG2# ) 4.0 3.7 2.5 ! !#
!Thr-137
assign (resid 137 and name HN )(resid 137 and name HA ) 3.0 1.2 0.5
assign (resid 137 and name HN )(resid 137 and name HB ) 3.0 1.2 0.5
assign (resid 137 and name HN )(resid 137 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 137 and name HB )(resid 137 and name HA ) 3.0 1.2 0.3
assign (resid 137 and name HA )(resid 137 and name HG2# ) 3.0 2.3 1.4 !#
assign (resid 137 and name HN )(resid 136 and name HA1 ) 3.0 1.2 0.5 !#
assign (resid 137 and name HN )(resid 136 and name HA2 ) 3.0 1.2 0.5 !#
assign (resid 137 and name HN )(resid 135 and name HA1 ) 3.0 1.2 0.5 !#
assign (resid 137 and name HN )(resid 135 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 137 and name HN )(resid 138 and name HN ) 4.0 2.2 1.0
!Lys-138
assign (resid 138 and name HN )(resid 138 and name HB# ) 3.0 1.8 1.1 !#
assign (resid 138 and name HN )(resid 138 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 138 and name HA )(resid 138 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 138 and name HA )(resid 138 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 138 and name HN )(resid 139 and name HN ) 4.0 2.2 1.0
assign (resid 138 and name HN )(resid 137 and name HA ) 2.5 0.7 0.2
assign (resid 138 and name HN )(resid 137 and name HB ) 4.0 2.2 1.0
assign (resid 138 and name HN )(resid 137 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 138 and name HA )(resid 144 and name HG2# ) 3.0 2.7 1.8 !#
!Gly-139
assign (resid 139 and name HN )(resid 139 and name HA2 ) 2.5 0.7 0.2 !#
assign (resid 139 and name HN )(resid 139 and name HA1 ) 3.0 1.2 0.5 !#
assign (resid 139 and name HN )(resid 140 and name HN ) 4.0 2.2 1.0
assign (resid 139 and name HN )(resid 138 and name HA ) 2.5 0.7 0.2
assign (resid 139 and name HN )(resid 138 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 139 and name HN )(resid 138 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 139 and name HN )(resid 137 and name HG2# ) 4.0 3.7 2.5 !#
!Gly-140
assign (resid 140 and name HN )(resid 140 and name HA2 ) 2.5 0.7 0.2 !#
assign (resid 140 and name HN )(resid 140 and name HA1 ) 2.5 0.7 0.2 !#
assign (resid 140 and name HN )(resid 141 and name HN ) 4.0 2.2 1.0
assign (resid 140 and name HN )(resid 139 and name HA1 ) 3.0 1.2 0.5 !#
assign (resid 140 and name HN )(resid 139 and name HA2 ) 3.0 1.2 0.5 !#
!Gln-141
assign (resid 141 and name HN )(resid 141 and name HB2 ) 3.0 1.2 0.5
assign (resid 141 and name HN )(resid 141 and name HB1 ) 3.0 1.2 0.5
assign (resid 141 and name HN )(resid 141 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 141 and name HA )(resid 141 and name HB2 ) 2.5 0.7 0.2
assign (resid 141 and name HA )(resid 141 and name HB1 ) 4.0 2.2 1.0
assign (resid 141 and name HA )(resid 141 and name HG1 ) 3.0 1.8 0.9 !#
assign (resid 141 and name HA )(resid 141 and name HG2 ) 3.0 1.8 0.9 !#
assign (resid 141 and name HN )(resid 142 and name HN ) 3.0 1.2 0.5
assign (resid 141 and name HN )(resid 140 and name HA1 ) 3.0 1.2 0.5 !#
assign (resid 141 and name HN )(resid 140 and name HA2 ) 3.0 1.2 0.5 !#
assign (resid 141 and name HE22 )(resid 137 and name HG2# ) 4.0 4.7 2.5 ! !#

!Asp-142
assign (resid 142 and name HN )(resid 142 and name HA ) 4.0 2.2 1.0
assign (resid 142 and name HN )(resid 142 and name HB1 ) 4.0 2.2 1.0
assign (resid 142 and name HN )(resid 142 and name HB2 ) 2.5 0.7 0.2
assign (resid 142 and name HA )(resid 142 and name HB1 ) 2.5 0.7 0.2
assign (resid 142 and name HA )(resid 142 and name HB2 ) 3.0 1.2 0.3
assign (resid 142 and name HN )(resid 141 and name HA ) 3.0 1.2 0.5
assign (resid 142 and name HN )(resid 140 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 142 and name HN )(resid 141 and name HB2 ) 4.0 2.2 1.0
assign (resid 142 and name HN )(resid 141 and name HB1 ) 3.0 1.2 0.5
assign (resid 142 and name HN )(resid 141 and name HG# ) 4.0 3.2 2.0 !#
!Ile-143
assign (resid 143 and name HN )(resid 143 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 143 and name HA )(resid 143 and name HB ) 4.0 2.2 1.0
assign (resid 143 and name HA )(resid 143 and name HG1# ) 2.5 1.3 0.8 !#
assign (resid 143 and name HA )(resid 143 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 143 and name HA )(resid 143 and name HG2# ) 4.0 3.3 2.1 !#
assign (resid 143 and name HD# )(resid 143 and name HG2# ) 2.5 3.7 3.2 ! !#
assign (resid 143 and name HN )(resid 142 and name HA ) 4.0 2.2 1.0
assign (resid 143 and name HD# )(resid 124 and name HB ) 4.0 3.7 2.5 !
assign (resid 143 and name HG2# )(resid 124 and name HB ) 4.0 3.7 2.5 !
!Thr-144
assign (resid 144 and name HA )(resid 144 and name HB ) 3.0 1.2 0.3
assign (resid 144 and name HA )(resid 144 and name HG2# ) 2.5 1.8 1.3 !#
assign (resid 144 and name HN )(resid 145 and name HN ) 2.5 0.7 0.2
assign (resid 144 and name HN )(resid 143 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 144 and name HN )(resid 143 and name HA ) 3.0 1.2 0.5
assign (resid 144 and name HN )(resid 143 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 144 and name HG2# )(resid 142 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 144 and name HB )(resid 121 and name HB1 ) 4.0 2.2 1.0
assign (resid 144 and name HB )(resid 121 and name HB2 ) 4.0 2.2 1.0
assign (resid 144 and name HG2# )(resid 121 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 144 and name HG2# )(resid 121 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 144 and name HG2# )(resid 138 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 144 and name HG2# )(resid 123 and name HB1 ) 4.0 3.7 2.5 !
!Asp-145
assign (resid 145 and name HN )(resid 145 and name HA ) 4.0 2.2 1.0
assign (resid 145 and name HN )(resid 145 and name HB1 ) 2.5 0.7 0.2
assign (resid 145 and name HA )(resid 145 and name HB2 ) 2.5 0.7 0.2
assign (resid 145 and name HA )(resid 145 and name HB1 ) 2.5 0.7 0.2
assign (resid 145 and name HN )(resid 144 and name HA ) 4.0 2.2 1.0
assign (resid 145 and name HN )(resid 143 and name HA ) 3.0 1.2 0.5
assign (resid 145 and name HN )(resid 143 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 145 and name HA )(resid 111 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 145 and name HA )(resid 109 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 145 and name HB2 )(resid 109 and name HD# ) 3.0 2.2 1.3 !#
assign (resid 145 and name HB1 )(resid 109 and name HD# ) 4.0 3.2 2.0 !#
!Phe-146
assign (resid 146 and name HN )(resid 146 and name HA ) 4.0 2.2 1.0
assign (resid 146 and name HN )(resid 146 and name HD1 ) 4.0 2.2 1.0
assign (resid 146 and name HN )(resid 146 and name HB1 ) 4.0 2.2 1.0
assign (resid 146 and name HN )(resid 146 and name HB2 ) 3.0 1.2 0.5
assign (resid 146 and name HD2 )(resid 146 and name HB1 ) 3.0 1.2 0.3
assign (resid 146 and name HD1 )(resid 146 and name HB2 ) 3.0 1.2 0.3
assign (resid 146 and name HA )(resid 146 and name HB1 ) 3.0 1.2 0.3
assign (resid 146 and name HA )(resid 146 and name HB2 ) 4.0 2.2 1.0
assign (resid 146 and name HN )(resid 145 and name HA ) 2.5 0.7 0.2
assign (resid 146 and name HN )(resid 145 and name HB1 ) 3.0 1.2 0.5
assign (resid 146 and name HZ )(resid 143 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 146 and name HN )(resid 109 and name HA ) 4.0 2.2 1.0
assign (resid 146 and name HN )(resid 109 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 146 and name HN )(resid 109 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 146 and name HD2 )(resid 12 and name HA ) 3.0 1.2 0.3
assign (resid 146 and name HD2 )(resid 10 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 146 and name HD2 )(resid 10 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 146 and name HD2 )(resid 10 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 146 and name HD1 )(resid 111 and name HA ) 4.0 2.2 1.0
assign (resid 146 and name HE1 )(resid 124 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 146 and name HE2 )(resid 124 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 146 and name HE2 )(resid 18 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 146 and name HE2 )(resid 18 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 146 and name HE2 )(resid 12 and name HB1 ) 3.0 1.2 0.3
assign (resid 146 and name HE2 )(resid 12 and name HB2 ) 4.0 2.2 1.0
assign (resid 146 and name HZ )(resid 122 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 146 and name HZ )(resid 124 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 146 and name HZ )(resid 132 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 146 and name HZ )(resid 122 and name HB ) 4.0 2.2 1.0
assign (resid 146 and name HA )(resid 12 and name HB1 ) 4.0 2.2 1.0
!Thr-147
assign (resid 147 and name HN )(resid 147 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 147 and name HN )(resid 147 and name HA ) 4.0 2.2 1.0
assign (resid 147 and name HN )(resid 147 and name HB ) 4.0 2.2 1.0
assign (resid 147 and name HA )(resid 147 and name HN ) 2.5 0.7 0.2
assign (resid 147 and name HA )(resid 147 and name HG2# ) 2.5 1.8 1.3 !#
assign (resid 147 and name HN )(resid 146 and name HA ) 2.5 0.7 0.2
assign (resid 147 and name HN )(resid 146 and name HB1 ) 2.5 0.7 0.2
assign (resid 147 and name HN )(resid 146 and name HB2 ) 3.0 1.2 0.5
assign (resid 147 and name HN )(resid 146 and name HD2 ) 4.0 2.2 1.0
assign (resid 147 and name HB )(resid 148 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 147 and name HN )(resid 10 and name HA ) 4.0 2.2 1.0
assign (resid 147 and name HN )(resid 11 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 147 and name HN )(resid 11 and name HN ) 4.0 2.2 1.0
assign (resid 147 and name HN )(resid 110 and name HN ) 4.0 2.2 1.0
assign (resid 147 and name HN )(resid 10 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 147 and name HA )(resid 110 and name HG ) 4.0 2.2 1.0
assign (resid 147 and name HA )(resid 110 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 147 and name HG2# )(resid 109 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 147 and name HG2# )(resid 109 and name HE# ) 4.0 4.7 3.5 ! !#
!Met-148
assign (resid 148 and name HN )(resid 148 and name HA ) 3.0 1.2 0.5
assign (resid 148 and name HN )(resid 148 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 148 and name HN )(resid 148 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 148 and name HA )(resid 148 and name HG1 ) 4.0 2.8 1.6 !#
assign (resid 148 and name HA )(resid 148 and name HG2 ) 4.0 2.8 1.6 !#
assign (resid 148 and name HA )(resid 148 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 148 and name HN )(resid 147 and name HA ) 2.5 0.7 0.2
assign (resid 148 and name HN )(resid 147 and name HB ) 3.0 1.2 0.5
assign (resid 148 and name HN )(resid 147 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 148 and name HN )(resid 110 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 148 and name HA )(resid 10 and name HD2# ) 2.5 2.2 1.7 !#
!Gln-149
assign (resid 149 and name HN )(resid 149 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 149 and name HN )(resid 149 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 149 and name HA )(resid 149 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 149 and name HA )(resid 149 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 149 and name HN )(resid 150 and name HN ) 4.0 2.2 1.0
assign (resid 149 and name HN )(resid 148 and name HA ) 2.5 0.7 0.2
assign (resid 149 and name HN )(resid 148 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 149 and name HN )(resid 10 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 149 and name HN )(resid 10 and name HG ) 4.0 2.2 1.0
assign (resid 149 and name HN )(resid 8 and name HB1 ) 4.0 2.2 1.0
assign (resid 149 and name HN )(resid 8 and name HB2 ) 4.0 2.2 1.0
assign (resid 149 and name HB# )(resid 11 and name HD# ) 4.0 4.2 3.0 ! !#
!Phe-150
assign (resid 150 and name HN )(resid 150 and name HA ) 4.0 2.2 1.0
assign (resid 150 and name HN )(resid 150 and name HB1 ) 4.0 2.2 1.0
assign (resid 150 and name HN )(resid 150 and name HB2 ) 3.0 1.2 0.5
assign (resid 150 and name HN )(resid 150 and name HD2 ) 4.0 2.2 1.0
assign (resid 150 and name HN )(resid 150 and name HD2 ) 3.0 1.2 0.5
assign (resid 150 and name HA )(resid 150 and name HB1 ) 2.5 0.7 0.2
assign (resid 150 and name HA )(resid 150 and name HB2 ) 4.0 2.2 1.0
assign (resid 150 and name HD1 )(resid 150 and name HA ) 4.0 2.2 1.0
assign (resid 150 and name HD2 )(resid 150 and name HA ) 4.0 2.2 1.0
assign (resid 150 and name HD1 )(resid 150 and name HB1 ) 3.0 1.2 0.3
assign (resid 150 and name HD2 )(resid 150 and name HB2 ) 3.0 1.2 0.3
assign (resid 150 and name HN )(resid 149 and name HA ) 4.0 2.2 1.0
assign (resid 150 and name HN )(resid 149 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 150 and name HN )(resid 149 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 150 and name HN )(resid 148 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 150 and name HN )(resid 151 and name HN ) 4.0 2.2 1.0
assign (resid 150 and name HA )(resid 151 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 150 and name HD2 )(resid 148 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 150 and name HZ )(resid 148 and name HE# ) 4.0 3.7 2.5 !#
assign (resid 150 and name HA )(resid 8 and name HB1 ) 3.0 1.2 0.3
assign (resid 150 and name HA )(resid 8 and name HB2 ) 4.0 2.2 1.0
assign (resid 150 and name HD1 )(resid 6 and name HG ) 3.0 1.2 0.3
assign (resid 150 and name HD1 )(resid 6 and name HD* ) 3.0 3.6 2.7 !#
assign (resid 150 and name HZ )(resid 6 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 150 and name HE1 )(resid 6 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 150 and name HE1 )(resid 6 and name HD2# ) 3.0 2.7 1.8 !#
!Val-151
assign (resid 151 and name HN )(resid 151 and name HB ) 4.0 2.2 1.0
assign (resid 151 and name HN )(resid 151 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 151 and name HN )(resid 151 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 151 and name HA )(resid 151 and name HB ) 3.0 1.2 0.3
assign (resid 151 and name HA )(resid 151 and name HG2# ) 3.0 2.3 1.4 !#
assign (resid 151 and name HA )(resid 151 and name HG1# ) 2.5 1.8 1.3 !#
assign (resid 151 and name HN )(resid 152 and name HN ) 4.0 2.2 1.0
assign (resid 151 and name HN )(resid 150 and name HA ) 2.5 0.7 0.2
assign (resid 151 and name HN )(resid 150 and name HB1 ) 3.0 1.2 0.5
assign (resid 151 and name HN )(resid 150 and name HB2 ) 4.0 2.2 1.0
assign (resid 151 and name HN )(resid 150 and name HD1 ) 4.0 2.2 1.0
assign (resid 151 and name HN )(resid 8 and name HA ) 3.0 1.2 0.5
assign (resid 151 and name HN )(resid 9 and name HN ) 4.0 2.2 1.0
assign (resid 151 and name HN )(resid 8 and name HB2 ) 4.0 2.2 1.0
assign (resid 151 and name HB )(resid 7 and name HB2 ) 4.0 2.2 1.0
assign (resid 151 and name HB )(resid 7 and name HB1 ) 4.0 2.2 1.0
!Ser-152
assign (resid 152 and name HA )(resid 152 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 152 and name HN )(resid 152 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 152 and name HN )(resid 151 and name HA ) 2.5 0.7 0.2
assign (resid 152 and name HN )(resid 151 and name HB ) 2.5 0.7 0.2
assign (resid 152 and name HN )(resid 151 and name HG* ) 2.5 3.1 2.6 !#
!Ser-153
assign (resid 153 and name HN )(resid 153 and name HA ) 3.0 1.2 0.5
assign (resid 153 and name HA )(resid 153 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 153 and name HN )(resid 152 and name HA ) 2.5 0.7 0.2
assign (resid 153 and name HN )(resid 152 and name HB# ) 2.5 1.7 1.2 !#

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