NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
633613 5z4e cing 1-original 1 XPLOR/CNS distance NOE ambi


# Restraints file 1: txn38_free_noe.tbl
!Met-1

!intra

!assign (residue 1 and name HN) (residue 1 and name HA) 1.8 0.0 4.2

!assign (residue 1 and name HN) (residue 1 and name HB#) 1.8 0.0 4.2


assign (residue 1 and name HA) (residue 1 and name HB#) 1.8 0.0 4.2


!assign (residue 1 and name HB#) (residue 1 and name HA) 1.8 0.0 4.2

!inter


!Pro-2

!intra

assign (residue 2 and name HA) (residue 2 and name HB1) 1.8 0.0 1.1
assign (residue 2 and name HA) (residue 2 and name HB2) 1.8 0.0 1.1

assign (residue 2 and name HA) (residue 2 and name HD#) 1.8 0.0 1.7


assign (residue 2 and name HB#) (residue 2 and name HD#) 1.8 0.0 1.7

!inter


!Glu-3

!intra

assign (residue 3 and name HN) (residue 3 and name HA) 1.8 0.0 1.1

assign (residue 3 and name HN) (residue 3 and name HB#) 1.8 0.0 1.7

assign (residue 3 and name HN) (residue 3 and name HG#) 1.8 0.0 3.2


!assign (residue 3 and name HA) (residue 3 and name HB#) 1.8 0.0 1.1
assign (residue 3 and name HA) (residue 3 and name HG#) 1.8 0.0 1.7


assign (residue 3 and name HB1) (residue 3 and name HA) 1.8 0.0 1.1
assign (residue 3 and name HB2) (residue 3 and name HA) 1.8 0.0 1.1

!assign (residue 3 and name HB1) (residue 3 and name HB2) 1.8 0.0 1.1
!assign (residue 3 and name HB2) (residue 3 and name HB1) 1.8 0.0 1.1

assign (residue 3 and name HB1) (residue 3 and name HG#) 1.8 0.0 3.2
assign (residue 3 and name HB2) (residue 3 and name HG#) 1.8 0.0 1.7

assign (residue 3 and name HG1) (residue 3 and name HA) 1.8 0.0 3.2
assign (residue 3 and name HG2) (residue 3 and name HA) 1.8 0.0 1.7


!inter

assign (residue 3 and name HN) (residue 2 and name HA) 1.8 0.0 1.7

assign (residue 3 and name HN) (residue 2 and name HB1) 1.8 0.0 1.7
assign (residue 3 and name HN) (residue 2 and name HB2) 1.8 0.0 1.7

assign (residue 3 and name HN) (residue 2 and name HG#) 1.8 0.0 3.2

assign (residue 3 and name HN) (residue 2 and name HD#) 1.8 0.0 4.2


!assign (residue 3 and name HN) (residue 4 and name HN) 1.8 0.0 1.1


!!! assign (residue 3 and name HN) (residue 10 and name HA) 1.8 0.0 6.2


!Glu-4

!intra

assign (residue 4 and name HN) (residue 4 and name HA) 1.8 0.0 1.1

assign (residue 4 and name HN) (residue 4 and name HB#) 1.8 0.0 1.7

assign (residue 4 and name HN) (residue 4 and name HG1) 1.8 0.0 1.7
assign (residue 4 and name HN) (residue 4 and name HG2) 1.8 0.0 1.7


assign (residue 4 and name HA) (residue 4 and name HB#) 1.8 0.0 1.1

assign (residue 4 and name HA) (residue 4 and name HG1) 1.8 0.0 1.7
assign (residue 4 and name HA) (residue 4 and name HG2) 1.8 0.0 3.2


assign (residue 4 and name HB#) (residue 4 and name HG1) 1.8 0.0 1.7
assign (residue 4 and name HB#) (residue 4 and name HG2) 1.8 0.0 1.7


!assign (residue 4 and name HG2) (residue 4 and name HA) 1.8 0.0 1.7
!assign (residue 4 and name HG1) (residue 4 and name HA) 1.8 0.0 1.7

!inter

assign (residue 4 and name HN) (residue 2 and name HD#) 1.8 0.0 4.2


assign (residue 4 and name HN) (residue 3 and name HN) 1.8 0.0 3.2

assign (residue 4 and name HN) (residue 3 and name HA) 1.8 0.0 1.7

assign (residue 4 and name HN) (residue 3 and name HG#) 1.8 0.0 3.2


!assign (residue 4 and name HN) (residue 5 and name HN) 1.8 0.0 1.1


!!! assign (residue 4 and name HN) (residue 8 and name HA) 1.8 0.0 6.2


!!! assign (residue 4 and name HN) (residue 117 and (name HG2# or name HG1#)) 1.8 0.0 6.2


!Ile-5

!intra

assign (residue 5 and name HN) (residue 5 and name HA) 1.8 0.0 1.7

assign (residue 5 and name HN) (residue 5 and name HB) 1.8 0.0 3.2

assign (residue 5 and name HN) (residue 5 and name HG1#) 1.8 0.0 3.2
assign (residue 5 and name HN) (residue 5 and name HG2#) 1.8 0.0 3.2

assign (residue 5 and name HN) (residue 5 and name HD1#) 1.8 0.0 4.2

assign (residue 5 and name HA) (residue 5 and name HB) 1.8 0.0 4.2


assign (residue 5 and name HA) (residue 5 and name HD1#) 1.8 0.0 4.2


assign (residue 5 and name HB) (residue 5 and name HG2#) 1.8 0.0 1.7

assign (residue 5 and name HB) (residue 5 and name HD1#) 1.8 0.0 1.7


assign (residue 5 and name HG11) (residue 5 and name HA) 1.8 0.0 1.7
assign (residue 5 and name HG12) (residue 5 and name HA) 1.8 0.0 1.7

assign (residue 5 and name HG11) (residue 5 and name HB) 1.8 0.0 1.7
assign (residue 5 and name HG12) (residue 5 and name HB) 1.8 0.0 1.7


assign (residue 5 and name HG2#) (residue 5 and name HA) 1.8 0.0 1.7



assign (residue 5 and name HG2#) (residue 5 and name HG1#) 1.8 0.0 1.7

assign (residue 5 and name HG2#) (residue 5 and name HD1#) 1.8 0.0 17



assign (residue 5 and name HD1#) (residue 5 and name HG11) 1.8 0.0 1.1
assign (residue 5 and name HD1#) (residue 5 and name HG12) 1.8 0.0 1.1






!inter


assign (residue 5 and name HN) (residue 3 and name HN) 1.8 0.0 6.2

assign (residue 5 and name HN) (residue 4 and name HN) 1.8 0.0 3.2

assign (residue 5 and name HN) (residue 4 and name HA) 1.8 0.0 1.1

assign (residue 5 and name HN) (residue 4 and name HB#) 1.8 0.0 1.7

assign (residue 5 and name HN) (residue 4 and name HG#) 1.8 0.0 3.2


!!! assign (residue 5 and name HN) (residue 9 and name HA) 1.8 0.0 6.2


!!! assign (residue 5 and name HN) (residue 122 and name HN) 1.8 0.0 6.2


!!! assign (residue 5 and name HN) (residue 141 and (name HB2 or name HB1)) 1.8 0.0 6.2

assign (residue 5 and name HA) (residue 2 and name HG#) 1.8 0.0 3.2

assign (residue 5 and name HA) (residue 2 and name HD#) 1.8 0.0 4.2


assign (residue 5 and name HA) (residue 6 and name HD#) 1.8 0.0 1.1


assign (residue 5 and name HD1#) (residue 124 and name HB#) 1.8 0.0 1.7

assign (residue 5 and name HD1#) (residue 124 and (name HD1# or name HD2#)) 1.8 0.0 3.2


assign (residue 5 and name HD1#) (residue 125 and name HB1) 1.8 0.0 4.2
assign (residue 5 and name HD1#) (residue 125 and name HB2) 1.8 0.0 4.2


assign (residue 5 and name HD1#) (residue 128 and name HA#) 1.8 0.0 3.2


assign (residue 5 and name HD1#) (residue 131 and name HA) 1.8 0.0 4.2


assign (residue 5 and name HD1#) (residue 132 and name HA) 1.8 0.0 3.2

assign (residue 5 and name HD1#) (residue 132 and name HD1) 1.8 0.0 3.2

assign (residue 5 and name HD1#) (residue 132 and name HZ2) 1.8 0.0 1.7

assign (residue 5 and name HD1#) (residue 132 and name HZ3) 1.8 0.0 3.2


assign (residue 5 and name HD1#) (residue 135 and name HB1) 1.8 0.0 4.2
assign (residue 5 and name HD1#) (residue 135 and name HB2) 1.8 0.0 3.2



!Pro-6

!intra

assign (residue 6 and name HA) (residue 6 and name HB1) 1.8 0.0 1.1
assign (residue 6 and name HA) (residue 6 and name HB2) 1.8 0.0 1.1



!inter


!Asp-7

!intra

assign (residue 7 and name HN) (residue 7 and name HA) 1.8 0.0 1.7

assign (residue 7 and name HN) (residue 7 and name HB1) 1.8 0.0 1.7
assign (residue 7 and name HN) (residue 7 and name HB2) 1.8 0.0 1.7


assign (residue 7 and name HA) (residue 7 and name HB1) 1.8 0.0 1.7
assign (residue 7 and name HA) (residue 7 and name HB2) 1.8 0.0 1.7



!inter

assign (residue 7 and name HN) (residue 6 and name HA) 1.8 0.0 1.7

assign (residue 7 and name HN) (residue 6 and name HB2) 1.8 0.0 3.2
assign (residue 7 and name HN) (residue 6 and name HB1) 1.8 0.0 3.2


!assign (residue 7 and name HN) (residue 8 and name HN) 1.8 0.0 4.2

assign (residue 7 and name HN) (residue 9 and name HA) 1.8 0.0 6.2

assign (residue 7 and name HN) (residue 122 and (name HG1# or name HG2#)) 1.8 0.0 6.2

!!! assign (residue 7 and name HN) (residue 130 and name HN) 1.8 0.0 6.2


!Val-8

!intra

assign (residue 8 and name HN) (residue 8 and name HA) 1.8 0.0 4.2

assign (residue 8 and name HN) (residue 8 and name HB) 1.8 0.0 1.7

assign (residue 8 and name HN) (residue 8 and (name HG1# or name HG2#)) 1.8 0.0 3.2


assign (residue 8 and name HA) (residue 8 and name HB) 1.8 0.0 1.7

assign (residue 8 and name HA) (residue 8 and (name HG1# or name HG2#)) 1.8 0.0 1.1


!assign (residue 8 and name HB) (residue 8 and name HA) 1.8 0.0 1.7

assign (residue 8 and name HB) (residue 8 and (name HG1# or name HG2#)) 1.8 0.0 1.7


!inter

assign (residue 8 and name HN) (residue 7 and name HN) 1.8 0.0 4.2

assign (residue 8 and name HN) (residue 7 and name HA) 1.8 0.0 1.7

assign (residue 8 and name HN) (residue 7 and name HB1) 1.8 0.0 4.2
assign (residue 8 and name HN) (residue 7 and name HB2) 1.8 0.0 3.2


!assign (residue 8 and name HN) (residue 9 and name HN) 1.8 0.0 1.7

!assign (residue 8 and name HN) (residue 9 and name HA) 1.8 0.0 4.2


!assign (residue 8 and name HN) (residue 121 and name HN) 1.8 0.0 4.2

assign (residue 8 and name HN) (residue 121 and name HA) 1.8 0.0 4.5


assign (residue 8 and name HN) (residue 123 and name HE# ) 1.8 0.0 4.5


! assign (residue 8 and name HN) (residue 126 and (name HG1 or name HG2)) 1.8 0.0 8.2


!Arg-9

!intra

assign (residue 9 and name HN) (residue 9 and name HA) 1.8 0.0 4.2

assign (residue 9 and name HN) (residue 9 and name HB1) 1.8 0.0 4.2
assign (residue 9 and name HN) (residue 9 and name HB2) 1.8 0.0 4.2

assign (residue 9 and name HN) (residue 9 and name HG#) 1.8 0.0 3.2

assign (residue 9 and name HN) (residue 9 and name HD#) 1.8 0.0 4.2


assign (residue 9 and name HA) (residue 9 and name HB1) 1.8 0.0 1.7
assign (residue 9 and name HA) (residue 9 and name HB2) 1.8 0.0 4.2

assign (residue 9 and name HA) (residue 9 and name HG1) 1.8 0.0 1.7
assign (residue 9 and name HA) (residue 9 and name HG2) 1.8 0.0 1.7

assign (residue 9 and name HA) (residue 9 and name HD#) 1.8 0.0 4.2


!assign (residue 9 and name HB1) (residue 9 and name HA) 1.8 0.0 1.7
!assign (residue 9 and name HB2) (residue 9 and name HA) 1.8 0.0 1.7

!assign (residue 9 and name HB1) (residue 9 and name HB2) 1.8 0.0 1.1
!assign (residue 9 and name HB2) (residue 9 and name HB1) 1.8 0.0 1.1

assign (residue 9 and name HB1) (residue 9 and name HG#) 1.8 0.0 1.1
assign (residue 9 and name HB2) (residue 9 and name HG#) 1.8 0.0 3.2

assign (residue 9 and name HB1) (residue 9 and name HD#) 1.8 0.0 1.7
assign (residue 9 and name HB2) (residue 9 and name HD#) 1.8 0.0 1.7


!assign (residue 9 and name HG#) (residue 9 and name HA) 1.8 0.0 1.7

!assign (residue 9 and name HG#) (residue 9 and name HB#) 1.8 0.0 1.7

assign (residue 9 and name HG#) (residue 9 and name HD#) 1.8 0.0 1.7


!inter

assign (residue 9 and name HN) (residue 8 and name HN) 1.8 0.0 4.2

!assign (residue 9 and name HN) (residue 8 and name HA) 1.8 0.0 1.1

assign (residue 9 and name HN) (residue 8 and name HB) 1.8 0.0 4.2

assign (residue 9 and name HN) (residue 8 and (name HG1# or name HG2#)) 1.8 0.0 1.7


!assign (residue 9 and name HN) (residue 10 and name HN) 1.8 0.0 4.2

!assign (residue 9 and name HN) (residue 10 and name HA) 1.8 0.0 4.2


assign (residue 9 and name HN) (residue 120 and name HA) 1.8 0.0 5.2

!assign (residue 9 and name HA) (residue 120 and name HA) 1.8 0.0 1.7


!Lys-10

!intra

assign (residue 10 and name HN) (residue 10 and name HA) 1.8 0.0 1.7

assign (residue 10 and name HN) (residue 10 and name HB1) 1.8 0.0 1.7
assign (residue 10 and name HN) (residue 10 and name HB2) 1.8 0.0 4.2

assign (residue 10 and name HN) (residue 10 and name HG#) 1.8 0.0 3.2


assign (residue 10 and name HA) (residue 10 and name HB1) 1.8 0.0 1.7
assign (residue 10 and name HA) (residue 10 and name HB2) 1.8 0.0 1.7

assign (residue 10 and name HA) (residue 10 and name HG#) 1.8 0.0 1.7


!assign (residue 10 and name HB1) (residue 10 and name HA) 1.8 0.0 4.2
!assign (residue 10 and name HB2) (residue 10 and name HA) 1.8 0.0 1.7

!assign (residue 10 and name HB2) (residue 10 and name HB1) 1.8 0.0 1.7
!assign (residue 10 and name HB1) (residue 10 and name HB2) 1.8 0.0 4.2

assign (residue 10 and name HB1) (residue 10 and name HG#) 1.8 0.0 1.7
assign (residue 10 and name HB2) (residue 10 and name HG#) 1.8 0.0 1.7

!inter

assign (residue 10 and name HN) (residue 9 and name HN) 1.8 0.0 4.2

assign (residue 10 and name HN) (residue 9 and name HA) 1.8 0.0 1.1

assign (residue 10 and name HN) (residue 9 and name HB1) 1.8 0.0 1.7
assign (residue 10 and name HN) (residue 9 and name HB2) 1.8 0.0 4.2

assign (residue 10 and name HN) (residue 9 and name HG#) 1.8 0.0 3.2


assign (residue 10 and name HN) (residue 11 and name HN) 1.8 0.0 3.2


!assign (residue 10 and name HN) (residue 119 and name HA) 1.8 0.0 6.2


assign (residue 10 and name HN) (residue 120 and name HA) 1.8 0.0 4.2


!!! assign (residue 10 and name HN) (residue 142 and name HN) 1.8 0.0 6.2


!Ser-11

!intra

assign (residue 11 and name HN) (residue 11 and name HA) 1.8 0.0 4.2

assign (residue 11 and name HN) (residue 11 and name HB1) 1.8 0.0 4.2
assign (residue 11 and name HN) (residue 11 and name HB2) 1.8 0.0 4.2

assign (residue 11 and name HN) (residue 11 and name HG) 1.8 0.0 3.2


assign (residue 11 and name HA) (residue 11 and name HB1) 1.8 0.0 1.7
assign (residue 11 and name HA) (residue 11 and name HB2) 1.8 0.0 1.7


!assign (residue 11 and name HB1) (residue 11 and name HA) 1.8 0.0 1.7
!assign (residue 11 and name HB2) (residue 11 and name HA) 1.8 0.0 1.7

!assign (residue 11 and name HB1) (residue 11 and name HB2) 1.8 0.0 1.1
!assign (residue 11 and name HB2) (residue 11 and name HB1) 1.8 0.0 1.1


!inter

assign (residue 11 and name HN) (residue 10 and name HA) 1.8 0.0 1.1

assign (residue 11 and name HN) (residue 10 and name HB1) 1.8 0.0 1.7
assign (residue 11 and name HN) (residue 10 and name HB2) 1.8 0.0 3.2

assign (residue 11 and name HN) (residue 10 and name HG#) 1.8 0.0 1.7


!assign (residue 11 and name HN) (residue 12 and name HN) 1.8 0.0 1.1


assign (residue 11 and name HN) (residue 13 and name HN) 1.8 0.0 6.2

assign (residue 11 and name HN) (residue 13 and (name HG1# or name HG2#)) 1.8 0.0 6.2


!!! assign (residue 11 and name HN) (residue 115 and name HB) 1.8 0.0 4.2


assign (residue 11 and name HA) (residue 10 and name HN) 1.8 0.0 4.2


assign (residue 11 and name HA) (residue 118 and name HA) 1.8 0.0 4.2

assign (residue 11 and name HA) (residue 118 and (name HG1 or name HG2)) 1.8 0.0 4.2


assign (residue 11 and name HB1) (residue 118 and name HN) 1.8 0.0 4.2
assign (residue 11 and name HB2) (residue 118 and name HN) 1.8 0.0 3.2

assign (residue 11 and name HB1) (residue 118 and name HA) 1.8 0.0 4.2
assign (residue 11 and name HB2) (residue 118 and name HA) 1.8 0.0 1.7

assign (residue 11 and name HB1) (residue 118 and name HG1) 1.8 0.0 3.2
assign (residue 11 and name HB2) (residue 118 and name HG1) 1.8 0.0 3.2


!Val-12

!intra

assign (residue 12 and name HN) (residue 12 and name HA) 1.8 0.0 1.7

assign (residue 12 and name HN) (residue 12 and name HB) 1.8 0.0 3.2

assign (residue 12 and name HN) (residue 12 and (name HG1# or name HG2#)) 1.8 0.0 1.7


assign (residue 12 and name HA) (residue 12 and name HB) 1.8 0.0 1.1

assign (residue 12 and name HA) (residue 12 and (name HG1# or name HG2#)) 1.8 0.0 1.1


!assign (residue 12 and name HB) (residue 12 and name HA) 1.8 0.0 1.7

assign (residue 12 and name HB) (residue 12 and (name HG1# or name HG2#)) 1.8 0.0 1.1

!inter

assign (residue 12 and name HN) (residue 11 and name HN) 1.8 0.0 4.2

assign (residue 12 and name HN) (residue 11 and name HA) 1.8 0.0 1.1

assign (residue 12 and name HN) (residue 11 and name HB#) 1.8 0.0 1.7


!assign (residue 12 and name HN) (residue 13 and name HN) 1.8 0.0 4.2


assign (residue 12 and name HN) (residue 116 and name HA) 1.8 0.0 4.2


!assign (residue 12 and name HN) (residue 117 and name HN) 1.8 0.0 1.7


assign (residue 12 and name HN) (residue 118 and name HA) 1.8 0.0 4.2


assign (residue 12 and name HA) (residue 11 and name HN) 1.8 0.0 4.2

assign (residue 12 and name HA) (residue 11 and name HA) 1.8 0.0 4.2


!Val-13

!intra

assign (residue 13 and name HN) (residue 13 and name HA) 1.8 0.0 1.7

assign (residue 13 and name HN) (residue 13 and name HB) 1.8 0.0 1.1

assign (residue 13 and name HN) (residue 13 and (name HG1# or name HG2#)) 1.8 0.0 1.1


assign (residue 13 and name HA) (residue 13 and name HB) 1.8 0.0 1.7

assign (residue 13 and name HA) (residue 13 and (name HG1# or name HG2#)) 1.8 0.0 1.1


!assign (residue 13 and name HB) (residue 13 and name HA) 1.8 0.0 1.7

assign (residue 13 and name HB) (residue 13 and (name HG1# or name HG2#)) 1.8 0.0 1.1


!inter

assign (residue 13 and name HN) (residue 12 and name HN) 1.8 0.0 4.2

assign (residue 13 and name HN) (residue 12 and name HA) 1.8 0.0 1.1

assign (residue 13 and name HN) (residue 12 and name HB) 1.8 0.0 3.2

assign (residue 13 and name HN) (residue 12 and (name HG1# or name HG2#)) 1.8 0.0 1.7


!assign (residue 13 and name HN) (residue 14 and name HN) 1.8 0.0 4.2

!assign (residue 13 and name HN) (residue 14 and name HA) 1.8 0.0 4.2


assign (residue 13 and name HA) (residue 12 and name HA) 1.8 0.0 4.2


!assign (residue 13 and name HA) (residue 115 and name HN) 1.8 0.0 1.7

assign (residue 13 and name HA) (residue 115 and name HA) 1.8 0.0 4.2


assign (residue 13 and name HA) (residue 116 and name HA) 1.8 0.0 1.7


!Val-14

!intra

assign (residue 14 and name HN) (residue 14 and name HA) 1.8 0.0 1.7

assign (residue 14 and name HN) (residue 14 and name HB) 1.8 0.0 4.2

assign (residue 14 and name HN) (residue 14 and (name HG1# or name HG2#)) 1.8 0.0 1.7


!assign (residue 14 and name HA) (residue 14 and name HN) 1.8 0.0 4.2

assign (residue 14 and name HA) (residue 14 and name HB) 1.8 0.0 1.1

assign (residue 14 and name HA) (residue 14 and (name HG1# or name HG2#)) 1.8 0.0 1.7


!assign (residue 14 and name HB) (residue 14 and name HA) 1.8 0.0 1.1

assign (residue 14 and name HB) (residue 14 and (name HG1# or name HG2#)) 1.8 0.0 1.7

!inter

assign (residue 14 and name HN) (residue 13 and name HN) 1.8 0.0 4.2

assign (residue 14 and name HN) (residue 13 and name HA) 1.8 0.0 1.1

assign (residue 14 and name HN) (residue 13 and name HB) 1.8 0.0 4.2

assign (residue 14 and name HN) (residue 13 and (name HG1# or name HG2#)) 1.8 0.0 1.1


!assign (residue 14 and name HN) (residue 15 and name HN) 1.8 0.0 4.2

!assign (residue 14 and name HN) (residue 15 and name HA) 1.8 0.0 4.2


assign (residue 14 and name HN) (residue 16 and name HB#) 1.8 0.0 4.2


!assign (residue 14 and name HN) (residue 114 and name HA2) 1.8 0.0 4.2

!assign (residue 14 and name HN) (residue 114 and name HA1) 1.8 0.0 4.2


!assign (residue 14 and name HN) (residue 115 and name HN) 1.8 0.0 1.7

assign (residue 14 and name HN) (residue 115 and name HG2#) 1.8 0.0 4.2


assign (residue 14 and name HN) (residue 116 and name HA) 1.8 0.0 1.7


assign (residue 14 and name HA) (residue 15 and name HB#) 1.8 0.0 4.2


assign (residue 14 and name HA) (residue 114 and (name HA2 or name HA1)) 1.8 0.0 4.2


assign (residue 14 and name HA) (residue 116 and name HA) 1.8 0.0 4.2


assign (residue 14 and name HA) (residue 117 and name HN) 1.8 0.0 6.2


!Ala-15

!intra

assign (residue 15 and name HN) (residue 15 and name HA) 1.8 0.0 1.7

assign (residue 15 and name HN) (residue 15 and name HB#) 1.8 0.0 1.7


assign (residue 15 and name HA) (residue 15 and name HB#) 1.8 0.0 1.1


!assign (residue 15 and name HB#) (residue 15 and name HA) 1.8 0.0 1.1


!inter

assign (residue 15 and name HN) (residue 14 and name HN) 1.8 0.0 4.2

assign (residue 15 and name HN) (residue 14 and name HA) 1.8 0.0 1.1

assign (residue 15 and name HN) (residue 14 and name HB) 1.8 0.0 1.7

assign (residue 15 and name HN) (residue 14 and (name HG1# or name HG2#)) 1.8 0.0 1.7


!assign (residue 15 and name HN) (residue 16 and name HN) 1.8 0.0 4.2

!assign (residue 15 and name HN) (residue 16 and name HA) 1.8 0.0 4.2


assign (residue 15 and name HN) (residue 114 and (name HA1 or name HA2)) 1.8 0.0 4.2


assign (residue 15 and name HA) (residue 114 and (name HA1 or name HA2)) 1.8 0.0 1.7


assign (residue 15 and name HA) (residue 154 and name HG1#) 1.8 0.0 7.2


assign (residue 15 and name HB#) (residue 14 and (name HG1# or name HG2#)) 1.8 0.0 4.2

assign (residue 15 and name HB#) (residue 113 and (name HA2 or name HA1)) 1.8 0.0 3.2

!assign (residue 15 and name HB#) (residue 114 and (name HA1 or name HA2)) 1.8 0.0 1.7

assign (residue 15 and name HB#) (residue 115 and name HA) 1.8 0.0 6.2

assign (residue 15 and name HB#) (residue 153 and (name HG1# or name HG2#)) 1.8 0.0 6.2

assign (residue 15 and name HB#) (residue 154 and name HG2#) 1.8 0.0 4.2


!Ala-16

!intra

assign (residue 16 and name HN) (residue 16 and name HA) 1.8 0.0 1.1

assign (residue 16 and name HN) (residue 16 and name HB#) 1.8 0.0 1.7


assign (residue 16 and name HA) (residue 16 and name HB#) 1.8 0.0 1.1


!assign (residue 16 and name HB#) (residue 16 and name HA) 1.8 0.0 1.1


!inter

assign (residue 16 and name HN) (residue 14 and name HA) 1.8 0.0 4.2

assign (residue 16 and name HN) (residue 14 and name HB) 1.8 0.0 4.2

assign (residue 16 and name HN) (residue 14 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 16 and name HN) (residue 15 and name HN) 1.8 0.0 3.2

assign (residue 16 and name HN) (residue 15 and name HA) 1.8 0.0 1.1

assign (residue 16 and name HN) (residue 15 and name HB#) 1.8 0.0 3.2


!assign (residue 16 and name HN) (residue 17 and name HN) 1.8 0.0 4.2


!!! assign (residue 16 and name HN) (residue 22 and name HZ) 1.8 0.0 6.2


assign (residue 16 and name HN) (residue 113 and (name HA2 or name HA1)) 1.8 0.0 4.2


!assign (residue 16 and name HN) (residue 114 and name HN) 1.8 0.0 4.2

assign (residue 16 and name HN) (residue 114 and (name HA1 or name HA2)) 1.8 0.0 3.2


!assign (residue 16 and name HN) (residue 115 and name HN) 1.8 0.0 1.7


assign (residue 16 and name HN) (residue 116 and name HA) 1.8 0.0 6.2


assign (residue 16 and name HN) (residue 154 and name HA) 1.8 0.0 7.2

assign (residue 16 and name HN) (residue 154 and name HG2#) 1.8 0.0 4.2

assign (residue 16 and name HN) (residue 154 and name HG1#) 1.8 0.0 6.2


assign (residue 16 and name HB#) (residue 14 and name HB) 1.8 0.0 4.2

assign (residue 16 and name HB#) (residue 14 and (name HG1# or name HG2#)) 1.8 0.0 4.2

assign (residue 16 and name HB#) (residue 17 and name HG) 1.8 0.0 3.2


!assign (residue 16 and name HB#) (residue 20 and name HD2) 1.8 0.0 1.7


assign (residue 16 and name HB#) (residue 113 and (name HA2 or name HA1)) 1.8 0.0 6.2


assign (residue 16 and name HB#) (residue 115 and name HG1) 1.8 0.0 3.2


assign (residue 16 and name HB#) (residue 153 and name HA) 1.8 0.0 7.2


assign (residue 16 and name HB#) (residue 154 and name HD1#) 1.8 0.0 4.2

assign (residue 16 and name HB#) (residue 154 and name HG2#) 1.8 0.0 4.2


!Ser-17

!intra

assign (residue 17 and name HN) (residue 17 and name HA) 1.8 0.0 1.1

assign (residue 17 and name HN) (residue 17 and name HB#) 1.8 0.0 1.7

assign (residue 17 and name HN) (residue 17 and name HG) 1.8 0.0 1.7


assign (residue 17 and name HA) (residue 17 and name HB#) 1.8 0.0 1.1


!assign (residue 17 and name HB#) (residue 17 and name HA) 1.8 0.0 1.1

!inter

assign (residue 17 and name HN) (residue 16 and name HN) 1.8 0.0 4.2

assign (residue 17 and name HN) (residue 16 and name HA) 1.8 0.0 1.1

assign (residue 17 and name HN) (residue 16 and name HB#) 1.8 0.0 1.7


!assign (residue 17 and name HN) (residue 18 and name HN) 1.8 0.0 1.7

assign (residue 17 and name HN) (residue 18 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 17 and name HN) (residue 20 and name HN) 1.8 0.0 4.2


!!!! assign (residue 17 and name HN) (residue 69 and name HE3) 1.8 0.0 4.2


assign (residue 17 and name HN) (residue 112 and (name HB1 or name HB2)) 1.8 0.0 7.2


assign (residue 17 and name HN) (residue 115 and name HA) 1.8 0.0 6.2


!Val-18

!intra

assign (residue 18 and name HN) (residue 18 and name HA) 1.8 0.0 1.7

assign (residue 18 and name HN) (residue 18 and name HB) 1.8 0.0 1.7

assign (residue 18 and name HN) (residue 18 and (name HG1# or name HG2#)) 1.8 0.0 1.7


assign (residue 18 and name HA) (residue 18 and name HB) 1.8 0.0 1.7

assign (residue 18 and name HA) (residue 18 and (name HG1# or name HG2#)) 1.8 0.0 1.7


!assign (residue 18 and name HB) (residue 18 and name HA) 1.8 0.0 1.1

assign (residue 18 and name HB) (residue 18 and (name HG1# or name HG2#)) 1.8 0.0 1.1


!inter

assign (residue 18 and name HN) (residue 17 and name HN) 1.8 0.0 3.2

assign (residue 18 and name HN) (residue 17 and name HA) 1.8 0.0 1.1

assign (residue 18 and name HN) (residue 17 and name HB#) 1.8 0.0 1.7


!assign (residue 18 and name HN) (residue 19 and name HN) 1.8 0.0 1.7


assign (residue 18 and name HN) (residue 20 and name HN) 1.8 0.0 4.2


assign (residue 18 and name HN) (residue 22 and name HZ) 1.8 0.0 6.2


assign (residue 18 and name HN) (residue 115 and name HN) 1.8 0.0 4.2

assign (residue 18 and name HN) (residue 115 and name HA) 1.8 0.0 4.2

assign (residue 18 and name HN) (residue 115 and name HG2#) 1.8 0.0 4.2


assign (residue 18 and name HA) (residue 21 and name HB1) 1.8 0.0 4.2

assign (residue 18 and name HA) (residue 21 and name HB2) 1.8 0.0 3.2


assign (residue 18 and name HA) (residue 22 and name HD#) 1.8 0.0 4.2


assign (residue 18 and name HA) (residue 115 and name HA) 1.8 0.0 4.2

assign (residue 18 and name HA) (residue 115 and name HG2#) 1.8 0.0 1.7


!Glu-19

!intra

assign (residue 19 and name HN) (residue 19 and name HA) 1.8 0.0 1.7

assign (residue 19 and name HN) (residue 19 and name HB#) 1.8 0.0 1.7

assign (residue 19 and name HN) (residue 19 and name HG#) 1.8 0.0 3.2


!assign (residue 19 and name HA) (residue 19 and name HB#) 1.8 0.0 1.1

assign (residue 19 and name HA) (residue 19 and name HG#) 1.8 0.0 1.7


assign (residue 19 and name HB1) (residue 19 and name HA) 1.8 0.0 1.7
assign (residue 19 and name HB2) (residue 19 and name HA) 1.8 0.0 1.7

!assign (residue 19 and name HB1) (residue 19 and name HB2) 1.8 0.0 1.1
!assign (residue 19 and name HB2) (residue 19 and name HB1) 1.8 0.0 1.1

assign (residue 19 and name HB1) (residue 19 and name HG#) 1.8 0.0 1.7
assign (residue 19 and name HB2) (residue 19 and name HG#) 1.8 0.0 1.7


!inter

assign (residue 19 and name HN) (residue 17 and name HA) 1.8 0.0 3.2

assign (residue 19 and name HN) (residue 17 and name HG) 1.8 0.0 4.2


assign (residue 19 and name HN) (residue 18 and name HN) 1.8 0.0 1.7

assign (residue 19 and name HN) (residue 18 and name HA) 1.8 0.0 1.7

assign (residue 19 and name HN) (residue 18 and name HB) 1.8 0.0 3.2

assign (residue 19 and name HN) (residue 18 and (name HG1# or name HG2#)) 1.8 0.0 1.7


!assign (residue 19 and name HN) (residue 20 and name HN) 1.8 0.0 1.7


assign (residue 19 and name HN) (residue 78 and name HG#) 1.8 0.0 4.2


!!! assign (residue 19 and name HN) (residue 110 and name HA) 1.8 0.0 6.2


!!! assign (residue 19 and name HN) (residue 148 and name HN) 1.8 0.0 4.2


assign (residue 19 and name HN) (residue 17 and name HB#) 1.8 0.0 4.2


assign (residue 19 and name HA) (residue 22 and (name HB2 or name HB1)) 1.8 0.0 4.2


assign (residue 19 and name HA) (residue 78 and name HG#) 1.8 0.0 4.2


assign (residue 19 and name HA) (residue 18 and (name HG1# or name HG2#)) 1.8 0.0 6.2


!His-20

!intra

assign (residue 20 and name HN) (residue 20 and name HA) 1.8 0.0 1.7

assign (residue 20 and name HN) (residue 20 and name HB#) 1.8 0.0 1.7

assign (residue 20 and name HN) (residue 20 and name HD2) 1.8 0.0 4.2

assign (residue 20 and name HN) (residue 20 and (name HE1 or name HE2)) 1.8 0.0 4.2


!assign (residue 20 and name HA) (residue 20 and name HB#) 1.8 0.0 1.1


assign (residue 20 and name HB1) (residue 20 and name HA) 1.8 0.0 1.7
assign (residue 20 and name HB2) (residue 20 and name HA) 1.8 0.0 1.7

!assign (residue 20 and name HB1) (residue 20 and name HB2) 1.8 0.0 1.1
!assign (residue 20 and name HB2) (residue 20 and name HB#) 1.8 0.0 1.1

assign (residue 20 and name HB1) (residue 20 and name HD2) 1.8 0.0 4.2
assign (residue 20 and name HB2) (residue 20 and name HD2) 1.8 0.0 4.2


assign (residue 20 and name HD2) (residue 20 and name HA) 1.8 0.0 4.2
assign (residue 20 and name HD2) (residue 20 and name HB#) 1.8 0.0 1.7


assign (residue 20 and (name HE1 or name HE2)) (residue 20 and name HD2) 1.8 0.0 4.2


!inter


assign (residue 20 and name HN) (residue 19 and name HN) 1.8 0.0 1.7

assign (residue 20 and name HN) (residue 19 and name HA) 1.8 0.0 4.2

assign (residue 20 and name HN) (residue 19 and name HB#) 1.8 0.0 1.7

assign (residue 20 and name HN) (residue 19 and name HG#) 1.8 0.0 4.2


assign (residue 20 and name HN) (residue 18 and name HA) 1.8 0.0 3.2


!assign (residue 20 and name HN) (residue 21 and name HN) 1.8 0.0 1.7


!!! assign (residue 20 and name HN) (residue 110 and name HA) 1.8 0.0 6.2

!!! assign (residue 20 and name HN) (residue 110 and (name HB2 or name HB1)) 1.8 0.0 6.2


assign (residue 20 and name HA) (residue 16 and name HB#) 1.8 0.0 4.2

assign (residue 20 and name HA) (residue 23 and name HB#) 1.8 0.0 3.2

assign (residue 20 and name HA) (residue 24 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 20 and name HB1) (residue 16 and name HB#) 1.8 0.0 4.2
assign (residue 20 and name HB2) (residue 16 and name HB#) 1.8 0.0 4.2



assign (residue 20 and name HD2) (residue 14 and (name HG1# or name HG2#)) 1.8 0.0 5.2


assign (residue 20 and name HD2) (residue 16 and name HB#) 1.8 0.0 1.7


assign (residue 20 and name HD2) (residue 24 and (name HG1# or name HG2#)) 1.8 0.0 1.7


assign (residue 20 and name HD2) (residue 154 and name HD1#) 1.8 0.0 1.7


!Cys-21

!intra

assign (residue 21 and name HN) (residue 21 and name HA) 1.8 0.0 1.7

assign (residue 21 and name HN) (residue 21 and name HB1) 1.8 0.0 1.7

assign (residue 21 and name HN) (residue 21 and name HB2) 1.8 0.0 1.7


assign (residue 21 and name HA) (residue 21 and name HB1) 1.8 0.0 4.2
assign (residue 21 and name HA) (residue 21 and name HB2) 1.8 0.0 4.2


!assign (residue 21 and name HB1) (residue 21 and name HA) 1.8 0.0 4.2
!assign (residue 21 and name HB2) (residue 21 and name HA) 1.8 0.0 4.2


!assign (residue 21 and name HB1) (residue 21 and name HB2) 1.8 0.0 1.7
!assign (residue 21 and name HB2) (residue 21 and name HB1) 1.8 0.0 1.7


!inter


assign (residue 21 and name HN) (residue 18 and name HN) 1.8 0.0 4.2

assign (residue 21 and name HN) (residue 18 and name HA) 1.8 0.0 1.7

assign (residue 21 and name HN) (residue 18 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 21 and name HN) (residue 19 and name HN) 1.8 0.0 4.2

assign (residue 21 and name HN) (residue 19 and name HA) 1.8 0.0 4.2


assign (residue 21 and name HN) (residue 20 and name HN) 1.8 0.0 1.7

assign (residue 21 and name HN) (residue 20 and name HA) 1.8 0.0 4.2

assign (residue 21 and name HN) (residue 20 and name HB#) 1.8 0.0 1.7


!assign (residue 21 and name HN) (residue 22 and name HN) 1.8 0.0 1.7


assign (residue 21 and name HN) (residue 20 and name HD2) 1.8 0.0 4.2


!!! assign (residue 21 and name HN) (residue 110 and name HB2) 1.8 0.0 6.2


assign (residue 21 and name HA) (residue 18 and (name HG1# or name HG2#)) 1.8 0.0 5.2


assign (residue 21 and name HA) (residue 25 and name HZ) 1.8 0.0 6.2


assign (residue 21 and name HA) (residue 154 and name HD1#) 1.8 0.0 4.2


assign (residue 21 and name HB1) (residue 22 and name HD#) 1.8 0.0 3.2
assign (residue 21 and name HB2) (residue 22 and name HD#) 1.8 0.0 3.2

assign (residue 21 and name HB1) (residue 22 and name HZ) 1.8 0.0 3.2
assign (residue 21 and name HB2) (residue 22 and name HZ) 1.8 0.0 3.2

assign (residue 21 and name HB1) (residue 22 and name HE#) 1.8 0.0 3.2
assign (residue 21 and name HB2) (residue 22 and name HE#) 1.8 0.0 3.2


assign (residue 21 and (name HB2 or name HB1)) (residue 115 and name HG2#) 1.8 0.0 4.2


assign (residue 21 and (name HB1 or name HB2)) (residue 117 and (name HG1# or name HG2#)) 1.8 0.0 4.2


!Phe-22

!intra

assign (residue 22 and name HN) (residue 22 and name HA) 1.8 0.0 1.7

assign (residue 22 and name HN) (residue 22 and name HB#) 1.8 0.0 1.7

assign (residue 22 and name HN) (residue 22 and name HE#) 1.8 0.0 4.2

assign (residue 22 and name HN) (residue 22 and name HZ) 1.8 0.0 4.2


assign (residue 22 and name HA) (residue 22 and name HB#) 1.8 0.0 1.7


assign (residue 22 and name HA) (residue 26 and name HG2#) 1.8 0.0 3.2


assign (residue 22 and name HD#) (residue 22 and name HB#) 1.8 0.0 1.7

assign (residue 22 and name HD#) (residue 22 and name HE#) 1.8 0.0 1.7


assign (residue 22 and name HE#) (residue 22 and name HB#) 1.8 0.0 4.2

!assign (residue 22 and name HE#) (residue 22 and name HD#) 1.8 0.0 1.7

assign (residue 22 and name HE#) (residue 22 and name HZ) 1.8 0.0 1.7


!assign (residue 22 and name HZ) (residue 22 and name HE#) 1.8 0.0 1.7


!inter

assign (residue 22 and name HN) (residue 18 and name HA) 1.8 0.0 3.2


assign (residue 22 and name HN) (residue 19 and name HN) 1.8 0.0 4.2

assign (residue 22 and name HN) (residue 19 and name HA) 1.8 0.0 4.2


assign (residue 22 and name HN) (residue 20 and name HN) 1.8 0.0 4.2


assign (residue 22 and name HN) (residue 21 and name HN) 1.8 0.0 1.7

assign (residue 22 and name HN) (residue 21 and name HA) 1.8 0.0 4.2

assign (residue 22 and name HN) (residue 21 and name HB1) 1.8 0.0 1.7
assign (residue 22 and name HN) (residue 21 and name HB2) 1.8 0.0 4.2


!assign (residue 22 and name HN) (residue 23 and name HN) 1.8 0.0 1.7


assign (residue 22 and name HN) (residue 108 and (name HG1# or name HG2#)) 1.8 0.0 6.2


assign (residue 22 and name HA) (residue 25 and name HB#) 1.8 0.0 4.2


assign (residue 22 and name HD#) (residue 20 and (name HB2 or name HB1)) 1.8 0.0 4.2


!!! assign (residue 22 and name HD#) (residue 53 and (name HG1# or name HG2#)) 1.8 0.0 6.2


!!! assign (residue 22 and name HD#) (residue 73 and (name HD1# or name HD2#)) 1.8 0.0 6.2


!assign (residue 22 and name HD#) (residue 107 and name HN) 1.8 0.0 4.2

!assign (residue 22 and name HD#) (residue 107 and (name HB2 or name HB1)) 1.8 0.0 1.7


assign (residue 22 and name HD#) (residue 117 and (name HG2# or name HG1#)) 1.8 0.0 5.2


!!! assign (residue 22 and name HE#) (residue 73 and (name HD1# or name HD2#)) 1.8 0.0 6.2


assign (residue 22 and name HE#) (residue 105 and (name HG2# or name HG1#)) 1.8 0.0 4.2


assign (residue 22 and name HZ) (residue 26 and name HG2#) 1.8 0.0 7.2


!Glu-23

!intra


assign (residue 23 and name HN) (residue 23 and name HA) 1.8 0.0 1.7

assign (residue 23 and name HN) (residue 23 and name HB#) 1.8 0.0 1.7

assign (residue 23 and name HN) (residue 23 and name HG#) 1.8 0.0 3.2


assign (residue 23 and name HA) (residue 23 and name HB#) 1.8 0.0 1.1

assign (residue 23 and name HA) (residue 23 and name HG#) 1.8 0.0 1.7


!assign (residue 23 and name HB#) (residue 23 and name HA) 1.8 0.0 1.1

assign (residue 23 and name HB#) (residue 23 and name HG#) 1.8 0.0 1.1


assign (residue 23 and name HG1) (residue 20 and name HA) 1.8 0.0 3.2
assign (residue 23 and name HG2) (residue 20 and name HA) 1.8 0.0 3.2


!inter

assign (residue 23 and name HN) (residue 19 and name HA) 1.8 0.0 4.2


assign (residue 23 and name HN) (residue 20 and name HN) 1.8 0.0 4.2

assign (residue 23 and name HN) (residue 20 and name HA) 1.8 0.0 4.2


assign (residue 23 and name HN) (residue 21 and name HN) 1.8 0.0 4.2

assign (residue 23 and name HN) (residue 21 and name HA) 1.8 0.0 4.2


assign (residue 23 and name HN) (residue 22 and name HN) 1.8 0.0 1.7

assign (residue 23 and name HN) (residue 22 and name HA) 1.8 0.0 1.7

assign (residue 23 and name HN) (residue 22 and name HB#) 1.8 0.0 1.7


!assign (residue 23 and name HN) (residue 24 and name HN) 1.8 0.0 1.7

assign (residue 23 and name HN) (residue 24 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 23 and name HN) (residue 25 and name HZ) 1.8 0.0 6.2


assign (residue 23 and name HA) (residue 26 and name HB) 1.8 0.0 3.2


!Val-24

!intra


assign (residue 24 and name HN) (residue 24 and name HA) 1.8 0.0 1.7

assign (residue 24 and name HN) (residue 24 and name HB) 1.8 0.0 1.7

assign (residue 24 and name HN) (residue 24 and name HG1#) 1.8 0.0 1.7
assign (residue 24 and name HN) (residue 24 and name HG2#) 1.8 0.0 3.2


assign (residue 24 and name HA) (residue 24 and name HB) 1.8 0.0 1.7

assign (residue 24 and name HA) (residue 24 and (name HG1# or name HG2#)) 1.8 0.0 1.1


!assign (residue 24 and name HB) (residue 24 and name HA) 1.8 0.0 1.7

assign (residue 24 and name HB) (residue 24 and (name HG1# or name HG2#)) 1.8 0.0 1.7


!inter


assign (residue 24 and name HN) (residue 20 and name HA) 1.8 0.0 4.2


assign (residue 24 and name HN) (residue 21 and name HA) 1.8 0.0 4.2


assign (residue 24 and name HN) (residue 22 and name HN) 1.8 0.0 4.2

assign (residue 24 and name HN) (residue 22 and name HA) 1.8 0.0 4.2


assign (residue 24 and name HN) (residue 23 and name HN) 1.8 0.0 1.7

assign (residue 24 and name HN) (residue 23 and name HA) 1.8 0.0 1.7

assign (residue 24 and name HN) (residue 23 and name HB#) 1.8 0.0 1.7


!assign (residue 24 and name HN) (residue 25 and name HN) 1.8 0.0 1.7


assign (residue 24 and name HN) (residue 26 and name HN) 1.8 0.0 4.2


assign (residue 24 and name HN) (residue 27 and name HN) 1.8 0.0 4.2


assign (residue 24 and name HN) (residue 25 and name HZ) 1.8 0.0 6.2


assign (residue 24 and name HN) (residue 154 and name HD1#) 1.8 0.0 6.2


assign (residue 24 and name HG#) (residue 20 and name HA) 1.8 0.0 3.2

assign (residue 24 and name HG#) (residue 20 and name HD2) 1.8 0.0 3.2

assign (residue 24 and name HG#) (residue 20 and name HE1) 1.8 0.0 3.2


assign (residue 24 and name HG#) (residue 25 and name HZ) 1.8 0.0 4.2


assign (residue 24 and name HG#) (residue 28 and name HD#) 1.8 0.0 3.2


assign (residue 24 and name HG#) (residue 150 and name HD#) 1.8 0.0 3.2


assign (residue 24 and name HG#) (residue 154 and name HD1#) 1.8 0.0 1.1


!Phe-25

!intra


assign (residue 25 and name HN) (residue 25 and name HA) 1.8 0.0 1.7

assign (residue 25 and name HN) (residue 25 and name HB#) 1.8 0.0 1.7

assign (residue 25 and name HN) (residue 25 and name HD#) 1.8 0.0 4.2


assign (residue 25 and name HD#) (residue 25 and name HB#) 1.8 0.0 4.2

assign (residue 25 and name HD#) (residue 25 and name HE#) 1.8 0.0 1.7


!assign (residue 25 and name HE#) (residue 25 and name HD#) 1.8 0.0 1.7

assign (residue 25 and name HE#) (residue 25 and name HZ) 1.8 0.0 1.7


!inter


assign (residue 25 and name HN) (residue 21 and name HA) 1.8 0.0 4.2


assign (residue 25 and name HN) (residue 22 and name HA) 1.8 0.0 4.2


assign (residue 25 and name HN) (residue 23 and name HA) 1.8 0.0 4.2


assign (residue 25 and name HN) (residue 24 and name HN) 1.8 0.0 1.7

assign (residue 25 and name HN) (residue 24 and name HA) 1.8 0.0 4.2

assign (residue 25 and name HN) (residue 24 and (name HG1# or name HG2#)) 1.8 0.0 4.2


!assign (residue 25 and name HN) (residue 26 and name HN) 1.8 0.0 1.7


!assign (residue 25 and name HN) (residue 49 and name HN) 1.8 0.0 8.2

assign (residue 25 and name HN) (residue 49 and name HZ) 1.8 0.0 4.2


assign (residue 25 and name HD#) (residue 26 and name HG2#) 1.8 0.0 4.2


assign (residue 25 and name HD#) (residue 150 and name HE#) 1.8 0.0 4.2


assign (residue 25 and name HE#) (residue 26 and name HG2#) 1.8 0.0 4.2

!Thr-26

!intra


assign (residue 26 and name HN) (residue 26 and name HA) 1.8 0.0 1.7

assign (residue 26 and name HN) (residue 26 and name HG2#) 1.8 0.0 3.2


assign (residue 26 and name HA) (residue 26 and name HG2#) 1.8 0.0 1.7


assign (residue 26 and name HB) (residue 26 and name HN) 1.8 0.0 4.2

assign (residue 26 and name HB) (residue 26 and name HG2#) 1.8 0.0 1.1


assign (residue 26 and name HG2#) (residue 26 and name HN) 1.8 0.0 1.7

assign (residue 26 and name HG2#) (residue 26 and name HA) 1.8 0.0 1.7


!inter


assign (residue 26 and name HN) (residue 22 and name HA) 1.8 0.0 4.2


assign (residue 26 and name HN) (residue 23 and name HA) 1.8 0.0 4.2


assign (residue 26 and name HN) (residue 24 and name HA) 1.8 0.0 3.2


assign (residue 26 and name HN) (residue 25 and name HN) 1.8 0.0 4.2

assign (residue 26 and name HN) (residue 25 and name HA) 1.8 0.0 4.2

assign (residue 26 and name HN) (residue 25 and name HB#) 1.8 0.0 4.2

assign (residue 26 and name HN) (residue 25 and name HD#) 1.8 0.0 4.2


!assign (residue 26 and name HN) (residue 27 and name HN) 1.8 0.0 1.7


assign (residue 26 and name HB) (residue 25 and name HD#) 1.8 0.0 4.5


!!! assign (residue 26 and name HB) (residue 80 and name HD#) 1.8 0.0 6.2


assign (residue 26 and name HG2#) (residue 22 and name HD#) 1.8 0.0 4.2


assign (residue 26 and name HG2#) (residue 24 and (name HG1# or name HG2#)) 1.8 0.0 3.2



assign (residue 26 and name HG2#) (residue 25 and name HB1) 1.8 0.0 3.2
assign (residue 26 and name HG2#) (residue 25 and name HB2) 1.8 0.0 3.2

assign (residue 26 and name HG2#) (residue 25 and name HD#) 1.8 0.0 1.7

assign (residue 26 and name HG2#) (residue 25 and name HE#) 1.8 0.0 4.2


! assign (residue 26 and name HG2#) (residue 29 and name HG#) 1.8 0.0 6.2


!Ser-27

!intra


assign (residue 27 and name HN) (residue 27 and name HA) 1.8 0.0 1.7

!assign (residue 27 and name HN) (residue 27 and name HB#) 1.8 0.0 1.7


!assign (residue 27 and name HA) (residue 27 and name HB#) 1.8 0.0 1.1


assign (residue 27 and name HB1) (residue 27 and name HN) 1.8 0.0 4.2
assign (residue 27 and name HB2) (residue 27 and name HN) 1.8 0.0 4.2

assign (residue 27 and name HB1) (residue 27 and name HA) 1.8 0.0 1.1
assign (residue 27 and name HB2) (residue 27 and name HA) 1.8 0.0 1.1

!assign (residue 27 and name HB1) (residue 27 and name HB2) 1.8 0.0 1.1
!assign (residue 27 and name HB2) (residue 27 and name HB#) 1.8 0.0 1.1


!inter


assign (residue 27 and name HN) (residue 23 and name HA) 1.8 0.0 3.2

assign (residue 27 and name HN) (residue 24 and name HA) 1.8 0.0 4.2


assign (residue 27 and name HN) (residue 25 and name HN) 1.8 0.0 3.2

assign (residue 27 and name HN) (residue 25 and name HA) 1.8 0.0 3.2


assign (residue 27 and name HN) (residue 26 and name HN) 1.8 0.0 1.1

assign (residue 27 and name HN) (residue 26 and name HA) 1.8 0.0 1.7

assign (residue 27 and name HN) (residue 26 and name HG2#) 1.8 0.0 4.2


!assign (residue 27 and name HN) (residue 28 and name HN) 1.8 0.0 1.1


!!! assign (residue 27 and name HA) (residue 53 and name HA) 1.8 0.0 4.2


!Arg-28

!intra


assign (residue 28 and name HN) (residue 28 and name HA) 1.8 0.0 1.7

assign (residue 28 and name HN) (residue 28 and name HB#) 1.8 0.0 4.2

assign (residue 28 and name HN) (residue 28 and name HG2) 1.8 0.0 3.2
assign (residue 28 and name HN) (residue 28 and name HG1) 1.8 0.0 3.2

assign (residue 28 and name HN) (residue 28 and name HD1) 1.8 0.0 3.2
assign (residue 28 and name HN) (residue 28 and name HD2) 1.8 0.0 4.2


assign (residue 28 and name HA) (residue 28 and name HB#) 1.8 0.0 1.7

assign (residue 28 and name HA) (residue 28 and name HG1) 1.8 0.0 1.7
assign (residue 28 and name HA) (residue 28 and name HG2) 1.8 0.0 1.7

assign (residue 28 and name HA) (residue 28 and name HD1) 1.8 0.0 1.7
assign (residue 28 and name HA) (residue 28 and name HD2) 1.8 0.0 1.7


!assign (residue 28 and name HB#) (residue 28 and name HA) 1.8 0.0 1.7

assign (residue 28 and name HB#) (residue 28 and name HG2) 1.8 0.0 1.7
assign (residue 28 and name HB#) (residue 28 and name HG1) 1.8 0.0 1.7

assign (residue 28 and name HB#) (residue 28 and name HD#) 1.8 0.0 4.2


assign (residue 28 and name HD1) (residue 28 and name HA) 1.8 0.0 1.7
assign (residue 28 and name HD2) (residue 28 and name HA) 1.8 0.0 1.7

assign (residue 28 and name HD1) (residue 28 and name HB#) 1.8 0.0 1.7
assign (residue 28 and name HD2) (residue 28 and name HB#) 1.8 0.0 1.7

assign (residue 28 and name HD1) (residue 28 and name HG1) 1.8 0.0 1.1
assign (residue 28 and name HD2) (residue 28 and name HG1) 1.8 0.0 1.1

assign (residue 28 and name HD1) (residue 28 and name HG2) 1.8 0.0 1.7
assign (residue 28 and name HD2) (residue 28 and name HG2) 1.8 0.0 1.1

assign (residue 28 and name HD2) (residue 28 and name HD1) 1.8 0.0 1.1


!inter


assign (residue 28 and name HN) (residue 27 and name HN) 1.8 0.0 3.2

assign (residue 28 and name HN) (residue 27 and name HA) 1.8 0.0 4.2

assign (residue 28 and name HN) (residue 27 and name HB#) 1.8 0.0 1.7


assign (residue 28 and name HN) (residue 30 and name HN) 1.8 0.0 4.2


assign (residue 28 and name HD#) (residue 24 and name HG#) 1.8 0.0 3.2


!Pro-29

!intra


assign (residue 29 and name HA) (residue 29 and name HG1) 1.8 0.0 3.2
assign (residue 29 and name HA) (residue 29 and name HG2) 1.8 0.0 3.2

assign (residue 29 and name HB#) (residue 29 and name HA) 1.8 0.0 1.7
assign (residue 29 and name HB#) (residue 29 and name HG1) 1.8 0.0 1.7

!inter

assign (residue 29 and name HA) (residue 32 and name HN) 1.8 0.0 3.2

assign (residue 29 and name HA) (residue 32 and name HE3) 1.8 0.0 4.2


!Ala-30

!intra


assign (residue 30 and name HN) (residue 30 and name HA) 1.8 0.0 1.7

assign (residue 30 and name HN) (residue 30 and name HB#) 1.8 0.0 1.7


assign (residue 30 and name HA) (residue 30 and name HB#) 1.8 0.0 1.1


!inter


assign (residue 30 and name HN) (residue 29 and name HA) 1.8 0.0 4.2

assign (residue 30 and name HN) (residue 29 and (name HB2 or name HB1)) 1.8 0.0 4.2

assign (residue 30 and name HN) (residue 29 and name HG#) 1.8 0.0 4.2
assign (residue 30 and name HN) (residue 29 and name HD#) 1.8 0.0 1.7


!assign (residue 30 and name HN) (residue 31 and name HN) 1.8 0.0 1.7


assign (residue 30 and name HA) (residue 47 and name HD2#) 1.8 0.0 5.2


assign (residue 30 and name HB#) (residue 24 and name HG1#) 1.8 0.0 6.2
assign (residue 30 and name HB#) (residue 24 and name HG2#) 1.8 0.0 6.2

!assign (residue 30 and name HB#) (residue 46 and name HA1) 1.8 0.0 1.7
!assign (residue 30 and name HB#) (residue 46 and name HA2) 1.8 0.0 1.7


assign (residue 30 and name HB#) (residue 47 and name HD#) 1.8 0.0 4.5


assign (residue 30 and name HB#) (residue 153 and (name HG2# or name HG1#)) 1.8 0.0 6.2


!Asp-31

!intra


assign (residue 31 and name HN) (residue 31 and name HA) 1.8 0.0 1.7

assign (residue 31 and name HN) (residue 31 and name HB#) 1.8 0.0 1.1


assign (residue 31 and name HA) (residue 31 and name HB#) 1.8 0.0 1.1


!assign (residue 31 and name HB#) (residue 31 and name HA) 1.8 0.0 1.7


!inter


assign (residue 31 and name HN) (residue 28 and name HB#) 1.8 0.0 4.2


assign (residue 31 and name HN) (residue 30 and name HN) 1.8 0.0 3.2

assign (residue 31 and name HN) (residue 30 and name HA) 1.8 0.0 1.7

assign (residue 31 and name HN) (residue 30 and name HB#) 1.8 0.0 1.7


!assign (residue 31 and name HN) (residue 32 and name HN) 1.8 0.0 1.1


!!! assign (residue 31 and (name HB2 or name HB1)) (residue 49 and name HA) 1.8 0.0 4.2


!Trp-32

!intra


assign (residue 32 and name HN) (residue 32 and name HA) 1.8 0.0 4.2

assign (residue 32 and name HN) (residue 32 and name HB#) 1.8 0.0 1.7


assign (residue 32 and name HA) (residue 32 and name HB#) 1.8 0.0 1.7


!assign (residue 32 and name HB#) (residue 32 and name HA) 1.8 0.0 4.2


assign (residue 32 and name HD1) (residue 32 and name HB#) 1.8 0.0 1.7


!inter


assign (residue 32 and name HN) (residue 29 and (name HD1 or name HD2)) 1.8 0.0 6.2


assign (residue 32 and name HN) (residue 30 and name HN) 1.8 0.0 4.2


assign (residue 32 and name HN) (residue 31 and name HN) 1.8 0.0 1.7

assign (residue 32 and name HN) (residue 31 and name HA) 1.8 0.0 4.2

assign (residue 32 and name HN) (residue 31 and name HB#) 1.8 0.0 1.7


!assign (residue 32 and name HN) (residue 33 and name HN) 1.8 0.0 1.1

assign (residue 32 and name HN) (residue 33 and name HB#) 1.8 0.0 4.2


assign (residue 32 and name HN) (residue 45 and name HB#) 1.8 0.0 6.2


assign (residue 32 and name HA) (residue 35 and (name HD2 or name HD1)) 1.8 0.0 6.2


assign (residue 32 and name HA) (residue 153 and name HB) 1.8 0.0 4.2

assign (residue 32 and name HA) (residue 153 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 32 and name HB1) (residue 154 and name HA) 1.8 0.0 3.2
assign (residue 32 and name HB2) (residue 154 and name HA) 1.8 0.0 4.2

assign (residue 32 and name HB1) (residue 154 and name HG1#) 1.8 0.0 3.2
assign (residue 32 and name HB2) (residue 154 and name HG1#) 1.8 0.0 3.2

assign (residue 32 and name HD1) (residue 154 and name HG1#) 1.8 0.0 4.2


assign (residue 32 and name HD1) (residue 24 and (name HG1# or name HG2#)) 1.8 0.0 6.2


assign (residue 32 and name HD1) (residue 30 and name HA) 1.8 0.0 6.5


assign (residue 32 and name HD1) (residue 153 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 32 and name HZ3) (residue 154 and name HG1#) 1.8 0.0 4.5

!Trp-33

!intra


assign (residue 33 and name HN) (residue 33 and name HA) 1.8 0.0 4.2

assign (residue 33 and name HN) (residue 33 and name HB#) 1.8 0.0 1.7

assign (residue 33 and name HN) (residue 33 and name HE3) 1.8 0.0 4.2


assign (residue 33 and name HA) (residue 33 and name HB#) 1.8 0.0 1.7


!assign (residue 33 and name HB#) (residue 33 and name HA) 1.8 0.0 4.2


assign (residue 33 and name HE3) (residue 33 and name HA) 1.8 0.0 4.2


!inter





assign (residue 33 and name HN) (residue 30 and name HA) 1.8 0.0 5.2


assign (residue 33 and name HN) (residue 32 and name HN) 1.8 0.0 3.2

assign (residue 33 and name HN) (residue 32 and name HA) 1.8 0.0 4.2

assign (residue 33 and name HN) (residue 32 and name HB#) 1.8 0.0 4.2


assign (residue 33 and name HN) (residue 45 and name HB#) 1.8 0.0 6.2


!!! assign (residue 33 and name HN) (residue 132 and name HZ3) 1.8 0.0 6.2


!!! assign (residue 33 and name HN) (residue 134 and name HD1#) 1.8 0.0 6.2


!!! assign (residue 33 and name HA) (residue 25 and name HZ) 1.8 0.0 6.2


!!! assign (residue 33 and name HE3) (residue 42 and (name HG2 or name HG1)) 1.8 0.0 4.2


!Pro-34
!intra
!inter


!Pro-35

!intra

assign (residue 35 and name HA) (residue 35 and name HB#) 1.8 0.0 1.1

assign (residue 35 and name HA) (residue 35 and name HG1) 1.8 0.0 3.2
assign (residue 35 and name HA) (residue 35 and name HG2) 1.8 0.0 3.2


!inter


!Ser-36

!intra
!inter


!His-37

!intra
!inter


!Val-38
!intra
!inter


!Leu-39

!intra
!inter


!Val-40


!intra


assign (residue 40 and name HA) (residue 40 and name HG2#) 1.8 0.0 1.1


assign (residue 40 and name HB) (residue 40 and name HA) 1.8 0.0 1.1

assign (residue 40 and name HB) (residue 40 and name HG1#) 1.8 0.0 1.1
assign (residue 40 and name HB) (residue 40 and name HG2#) 1.8 0.0 1.1


assign (residue 40 and name HG1#) (residue 40 and name HA) 1.8 0.0 1.1

assign (residue 40 and name HG1#) (residue 40 and name HB) 1.8 0.0 1.1


assign (residue 40 and name HG1#) (residue 40 and name HG2#) 1.8 0.0 1.1

!inter

assign (residue 40 and name HA) (residue 67 and name HD1#) 1.8 0.0 4.2


assign (residue 40 and name HB) (residue 42 and name HE#) 1.8 0.0 4.5


assign (residue 40 and name HG#) (residue 42 and name HB#) 1.8 0.0 4.2


assign (residue 40 and name HG#) (residue 61 and name HA) 1.8 0.0 4.2

assign (residue 40 and name HG#) (residue 61 and name HB#) 1.8 0.0 3.2

!Lys-41

!intra


assign (residue 41 and name HN) (residue 41 and name HA) 1.8 0.0 4.2


!inter


assign (residue 41 and name HN) (residue 40 and name HA) 1.8 0.0 1.7

assign (residue 41 and name HN) (residue 40 and name HB) 1.8 0.0 4.2


!assign (residue 41 and name HN) (residue 42 and name HN) 1.8 0.0 4.2


!Lys-42

!intra

assign (residue 42 and name HN) (residue 42 and name HA) 1.8 0.0 4.2

assign (residue 42 and name HN) (residue 42 and name HB#) 1.8 0.0 4.2

assign (residue 42 and name HN) (residue 42 and name HG1) 1.8 0.0 4.2
assign (residue 42 and name HN) (residue 42 and name HG2) 1.8 0.0 4.2



assign (residue 42 and name HA) (residue 42 and name HG#) 1.8 0.0 1.1


assign (residue 42 and name HB1) (residue 42 and name HA) 1.8 0.0 1.7
assign (residue 42 and name HB2) (residue 42 and name HA) 1.8 0.0 1.1

assign (residue 42 and name HB1) (residue 42 and name HG#) 1.8 0.0 1.1
assign (residue 42 and name HB2) (residue 42 and name HG#) 1.8 0.0 1.1

assign (residue 42 and name HB1) (residue 42 and name HE#) 1.8 0.0 3.2
assign (residue 42 and name HB2) (residue 42 and name HE#) 1.8 0.0 3.2


assign (residue 42 and name HE#) (residue 42 and name HA) 1.8 0.0 1.7



assign (residue 42 and name HE#) (residue 42 and name HG#) 1.8 0.0 1.1

assign (residue 42 and name HE#) (residue 42 and name HD#) 1.8 0.0 1.1

!inter

assign (residue 42 and name HN) (residue 41 and name HA) 1.8 0.0 3.2

assign (residue 42 and name HN) (residue 41 and name HN) 1.8 0.0 3.2


assign (residue 42 and name HN) (residue 62 and name HA) 1.8 0.0 6.5



!Glu-43

!intra


assign (residue 43 and name HN) (residue 43 and name HA) 1.8 0.0 1.7

assign (residue 43 and name HN) (residue 43 and name HB#) 1.8 0.0 1.7

assign (residue 43 and name HN) (residue 43 and name HG#) 1.8 0.0 4.2


!assign (residue 43 and name HA) (residue 43 and name HB#) 1.8 0.0 1.1

assign (residue 43 and name HA) (residue 43 and name HG#) 1.8 0.0 1.7


assign (residue 43 and name HB1) (residue 43 and name HA) 1.8 0.0 1.7
assign (residue 43 and name HB2) (residue 43 and name HA) 1.8 0.0 1.1

!assign (residue 43 and name HB1) (residue 43 and name HB2) 1.8 0.0 1.1
!assign (residue 43 and name HB2) (residue 43 and name HB1) 1.8 0.0 1.1

assign (residue 43 and name HB1) (residue 43 and name HG#) 1.8 0.0 1.1
assign (residue 43 and name HB2) (residue 43 and name HG#) 1.8 0.0 1.1


!inter


assign (residue 43 and name HN) (residue 42 and name HN) 1.8 0.0 4.2

assign (residue 43 and name HN) (residue 42 and name HA) 1.8 0.0 1.7

assign (residue 43 and name HN) (residue 42 and name HB#) 1.8 0.0 3.2

assign (residue 43 and name HN) (residue 42 and name HG1) 1.8 0.0 4.2
assign (residue 43 and name HN) (residue 42 and name HG2) 1.8 0.0 4.2


!assign (residue 43 and name HN) (residue 44 and name HN) 1.8 0.0 4.2


!assign (residue 43 and name HA) (residue 68 and (name HG1# or name HG2#)) 1.8 0.0 8.2

!assign (residue 43 and name HB1) (residue 68 and (name HG1# or name HG2#)) 1.8 0.0 8.2
!assign (residue 43 and name HB2) (residue 68 and (name HG1# or name HG2#)) 1.8 0.0 8.2


!Arg-44

!intra


assign (residue 44 and name HN) (residue 44 and name HA) 1.8 0.0 4.2

assign (residue 44 and name HN) (residue 44 and name HB#) 1.8 0.0 1.7

assign (residue 44 and name HN) (residue 44 and name HG#) 1.8 0.0 4.2

assign (residue 44 and name HN) (residue 44 and name HD#) 1.8 0.0 3.2

assign (residue 44 and name HN) (residue 44 and name HE) 1.8 0.0 5.2


!inter


assign (residue 44 and name HN) (residue 43 and name HN) 1.8 0.0 4.2

assign (residue 44 and name HN) (residue 43 and name HA) 1.8 0.0 1.7

assign (residue 44 and name HN) (residue 43 and name HB#) 1.8 0.0 3.2

assign (residue 44 and name HN) (residue 43 and name HG#) 1.8 0.0 3.2


assign (residue 44 and name HN) (residue 45 and name HN) 1.8 0.0 4.2


assign (residue 44 and name HN) (residue 46 and name HN) 1.8 0.0 5.2


!!! assign (residue 44 and name HN) (residue 147 and name HN) 1.8 0.0 4.2


!Ala-45

!intra


assign (residue 45 and name HN) (residue 45 and name HA) 1.8 0.0 4.2

assign (residue 45 and name HN) (residue 45 and name HB#) 1.8 0.0 1.7


assign (residue 45 and name HA) (residue 45 and name HB#) 1.8 0.0 1.1


!assign (residue 45 and name HB#) (residue 45 and name HA) 1.8 0.0 1.1

!inter

assign (residue 45 and name HB#) (residue 42 and name HN) 1.8 0.0 7.2


assign (residue 45 and name HN) (residue 44 and name HA) 1.8 0.0 4.2

assign (residue 45 and name HN) (residue 44 and name HB#) 1.8 0.0 4.2

assign (residue 45 and name HN) (residue 44 and name HG#) 1.8 0.0 4.2

assign (residue 45 and name HN) (residue 44 and name HD#) 1.8 0.0 4.5

assign (residue 45 and name HN) (residue 44 and name HE) 1.8 0.0 4.2


!assign (residue 45 and name HN) (residue 46 and name HN) 1.8 0.0 4.2


assign (residue 45 and name HA) (residue 44 and name HD#) 1.8 0.0 4.5


assign (residue 45 and name HB#) (residue 44 and name HD#) 1.8 0.0 4.2


assign (residue 45 and name HB#) (residue 59 and (name HB2 or name HB1)) 1.8 0.0 5.2


assign (residue 45 and name HB#) (residue 61 and name HA) 1.8 0.0 4.2

assign (residue 45 and name HB#) (residue 61 and name HB#) 1.8 0.0 5.2


!Gly-46

!intra


assign (residue 46 and name HN) (residue 46 and name HA1) 1.8 0.0 4.2
assign (residue 46 and name HN) (residue 46 and name HA2) 1.8 0.0 4.2


!assign (residue 46 and name HA1) (residue 46 and name HA2) 1.8 0.0 1.1
!assign (residue 46 and name HA2) (residue 46 and name HA1) 1.8 0.0 1.1


!inter


assign (residue 46 and name HN) (residue 29 and name HB#) 1.8 0.0 6.2


assign (residue 46 and name HA1) (residue 30 and name HB#) 1.8 0.0 5.2
assign (residue 46 and name HA2) (residue 30 and name HB#) 1.8 0.0 4.5


assign (residue 46 and name HN) (residue 44 and name HB#) 1.8 0.0 6.2

assign (residue 46 and name HN) (residue 44 and name HD#) 1.8 0.0 4.2


assign (residue 46 and name HN) (residue 45 and name HA) 1.8 0.0 4.2

assign (residue 46 and name HN) (residue 45 and name HN) 1.8 0.0 1.7

assign (residue 46 and name HN) (residue 45 and name HB#) 1.8 0.0 1.7


!assign (residue 46 and name HN) (residue 47 and name HN) 1.8 0.0 4.2


!assign (residue 46 and name HN) (residue 60 and name HN) 1.8 0.0 4.2


assign (residue 46 and name HN) (residue 61 and name HA) 1.8 0.0 4.2


!Leu-47

!intra

assign (residue 47 and name HN) (residue 47 and name HA) 1.8 0.0 1.7

assign (residue 47 and name HN) (residue 47 and name HB#) 1.8 0.0 1.7

assign (residue 47 and name HN) (residue 47 and name HG) 1.8 0.0 3.2

assign (residue 47 and name HN) (residue 47 and (name HD1# or name HD2#)) 1.8 0.0 3.2


assign (residue 47 and name HG) (residue 47 and name HB#) 1.8 0.0 1.7

!assign (residue 47 and name HG) (residue 47 and (name HD1# or name HD2#)) 1.8 0.0 1.1


assign (residue 47 and name HD1#) (residue 47 and name HA) 1.8 0.0 3.2
assign (residue 47 and name HD2#) (residue 47 and name HA) 1.8 0.0 3.2

assign (residue 47 and name HD1#) (residue 47 and name HB#) 1.8 0.0 1.7
assign (residue 47 and name HD2#) (residue 47 and name HB#) 1.8 0.0 1.7

assign (residue 47 and name HD1#) (residue 47 and name HG) 1.8 0.0 1.1
assign (residue 47 and name HD2#) (residue 47 and name HG) 1.8 0.0 1.1

!inter

assign (residue 47 and name HN) (residue 46 and name HN) 1.8 0.0 3.2

assign (residue 47 and name HN) (residue 46 and name HA1) 1.8 0.0 1.7
assign (residue 47 and name HN) (residue 46 and name HA2) 1.8 0.0 1.7


!assign (residue 47 and name HN) (residue 48 and name HN) 1.8 0.0 3.2


assign (residue 47 and name HN) (residue 60 and name HZ3) 1.8 0.0 4.2

assign (residue 47 and name HN) (residue 60 and name HH2) 1.8 0.0 4.2


assign (residue 47 and name HN) (residue 61 and name HA) 1.8 0.0 7.2


assign (residue 47 and name HB1) (residue 29 and name HG#) 1.8 0.0 3.2
assign (residue 47 and name HB2) (residue 29 and name HG#) 1.8 0.0 3.2


assign (residue 47 and name HG) (residue 59 and name HA) 1.8 0.0 3.2

assign (residue 47 and name HG) (residue 59 and name HG#) 1.8 0.0 3.2


assign (residue 47 and name HD#) (residue 28 and name HG#) 1.8 0.0 4.2


assign (residue 47 and name HD#) (residue 29 and name HB#) 1.8 0.0 3.2


assign (residue 47 and name HD#) (residue 32 and name HH2) 1.8 0.0 4.5

assign (residue 47 and name HD#) (residue 60 and name HH2) 1.8 0.0 5.2

assign (residue 47 and name HD#) (residue 32 and name HZ3) 1.8 0.0 3.2


assign (residue 47 and name HD1#) (residue 59 and name HA) 1.8 0.0 3.2
assign (residue 47 and name HD2#) (residue 59 and name HA) 1.8 0.0 3.2

assign (residue 47 and name HD#) (residue 59 and name HB#) 1.8 0.0 3.2

assign (residue 47 and name HD#) (residue 59 and name HG#) 1.8 0.0 1.7


assign (residue 47 and name HD#) (residue 32 and name HB#) 1.8 0.0 5.2


assign (residue 47 and name HD#) (residue 58 and name HB#) 1.8 0.0 5.2

assign (residue 47 and name HD#) (residue 58 and name HE#) 1.8 0.0 6.2


assign (residue 47 and name HD#) (residue 60 and name HE3) 1.8 0.0 4.2





!Ala-48

!intra

assign (residue 48 and name HN) (residue 48 and name HB#) 1.8 0.0 1.7


!assign (residue 48 and name HB#) (residue 48 and name HN) 1.8 0.0 1.1

assign (residue 48 and name HB#) (residue 48 and name HA) 1.8 0.0 1.1


!inter

assign (residue 48 and name HN) (residue 47 and name HA) 1.8 0.0 1.7

assign (residue 48 and name HN) (residue 47 and name HB#) 1.8 0.0 1.7

assign (residue 48 and name HN) (residue 47 and name HD1#) 1.8 0.0 3.2


assign (residue 48 and name HN) (residue 49 and name HB1) 1.8 0.0 3.2


!assign (residue 48 and name HN) (residue 58 and name HN) 1.8 0.0 1.7


assign (residue 48 and name HN) (residue 59 and name HA) 1.8 0.0 3.2


assign (residue 48 and name HN) (residue 60 and name HH2) 1.8 0.0 3.2
assign (residue 48 and name HN) (residue 60 and name HZ3) 1.8 0.0 3.2


!assign (residue 48 and name HB#) (residue 58 and name HE#) 1.8 0.0 1.1


assign (residue 48 and name HB#) (residue 60 and name HH2) 1.8 0.0 1.1

!assign (residue 48 and name HB#) (residue 60 and name HZ3) 1.8 0.0 1.1

!assign (residue 48 and name HB#) (residue 60 and name HE3) 1.8 0.0 1.7

assign (residue 48 and name HB#) (residue 60 and name HZ2) 1.8 0.0 3.2


!Phe-49

!intra


assign (residue 49 and name HN) (residue 49 and name HA) 1.8 0.0 4.2

assign (residue 49 and name HN) (residue 49 and name HB1) 1.8 0.0 4.2
assign (residue 49 and name HN) (residue 49 and name HB2) 1.8 0.0 3.2

assign (residue 49 and name HN) (residue 49 and name HD#) 1.8 0.0 4.2


assign (residue 49 and name HA) (residue 49 and name HB1) 1.8 0.0 1.7
assign (residue 49 and name HA) (residue 49 and name HB2) 1.8 0.0 4.2


assign (residue 49 and name HD#) (residue 49 and name HB1) 1.8 0.0 1.7
assign (residue 49 and name HD#) (residue 49 and name HB2) 1.8 0.0 4.2

assign (residue 49 and name HD#) (residue 49 and name HE#) 1.8 0.0 1.1


assign (residue 49 and name HZ) (residue 49 and name HE#) 1.8 0.0 1.7


!inter


assign (residue 49 and name HN) (residue 47 and name HN) 1.8 0.0 5.2


assign (residue 49 and name HN) (residue 48 and name HA) 1.8 0.0 1.7

assign (residue 49 and name HN) (residue 48 and name HB#) 1.8 0.0 1.7


!assign (residue 49 and name HN) (residue 50 and name HN) 1.8 0.0 4.2


!assign (residue 49 and name HA) (residue 57 and name HA) 1.8 0.0 4.2


assign (residue 49 and name HD#) (residue 26 and name HA) 1.8 0.0 6.2

assign (residue 49 and name HD#) (residue 26 and name HG2#) 1.8 0.0 4.2


!!! assign (residue 49 and name HD#) (residue 45 and name HB#) 1.8 0.0 6.2


assign (residue 49 and name HZ) (residue 25 and name HE#) 1.8 0.0 4.2


!!! assign (residue 49 and name HZ) (residue 68 and name HB#) 1.8 0.0 6.2


!Glu-50

!intra

!inter


assign (residue 50 and name HN) (residue 49 and name HN) 1.8 0.0 4.2

assign (residue 50 and name HN) (residue 49 and name HA) 1.8 0.0 1.7

assign (residue 50 and name HN) (residue 49 and name HB1) 1.8 0.0 3.2
assign (residue 50 and name HN) (residue 49 and name HB2) 1.8 0.0 4.2


assign (residue 50 and name HN) (residue 49 and name HD#) 1.8 0.0 3.2

assign (residue 50 and name HN) (residue 49 and name HE#) 1.8 0.0 4.2


assign (residue 50 and name HN) (residue 56 and name HN) 1.8 0.0 1.7


assign (residue 50 and name HN) (residue 57 and name HA) 1.8 0.0 3.2


assign (residue 50 and name HN) (residue 58 and name HD#) 1.8 0.0 3.2

assign (residue 50 and name HN) (residue 58 and name HE#) 1.8 0.0 1.7


!Pro-51

!intra

!assign (residue 51 and name HA) (residue 51 and name HA) 1.8 0.0 1.1

assign (residue 51 and name HA) (residue 51 and name HB1) 1.8 0.0 1.1
assign (residue 51 and name HA) (residue 51 and name HB2) 1.8 0.0 1.1

!inter

assign (residue 51 and name HA) (residue 52 and name HD#) 1.8 0.0 4.2


!assign (residue 51 and name HA) (residue 57 and name HD#) 1.8 0.0 1.7


!Phe-52

!intra


assign (residue 52 and name HN) (residue 52 and name HA) 1.8 0.0 1.7

assign (residue 52 and name HN) (residue 52 and name HB1) 1.8 0.0 4.2
assign (residue 52 and name HN) (residue 52 and name HB2) 1.8 0.0 4.2

assign (residue 52 and name HN) (residue 52 and (name HD2 or name HD1)) 1.8 0.0 3.2


assign (residue 52 and name HA) (residue 52 and name HB1) 1.8 0.0 1.7
assign (residue 52 and name HA) (residue 52 and name HB2) 1.8 0.0 1.7

assign (residue 52 and name HA) (residue 52 and (name HD1 or name HD2)) 1.8 0.0 1.7


!assign (residue 52 and name HB1) (residue 52 and name HA) 1.8 0.0 1.7
!assign (residue 52 and name HB2) (residue 52 and name HA) 1.8 0.0 1.7

!assign (residue 52 and name HB1) (residue 52 and name HB2) 1.8 0.0 1.7
!assign (residue 52 and name HB2) (residue 52 and name HB1) 1.8 0.0 1.7


!assign (residue 52 and name HD#) (residue 52 and name HA) 1.8 0.0 1.7

assign (residue 52 and name HD#) (residue 52 and name HB1) 1.8 0.0 1.1
assign (residue 52 and name HD#) (residue 52 and name HB2) 1.8 0.0 1.7

assign (residue 52 and name HD#) (residue 52 and name HE#) 1.8 0.0 1.1


!assign (residue 52 and name HE#) (residue 52 and name HD#) 1.8 0.0 1.1

assign (residue 52 and name HE#) (residue 52 and name HZ) 1.8 0.0 1.7


!inter


assign (residue 52 and name HN) (residue 49 and name HE#) 1.8 0.0 6.2


assign (residue 52 and name HN) (residue 51 and name HA) 1.8 0.0 1.7

assign (residue 52 and name HN) (residue 51 and (name HB1 or name HB2)) 1.8 0.0 4.2

assign (residue 52 and name HN) (residue 51 and name HG#) 1.8 0.0 4.2


!assign (residue 52 and name HN) (residue 53 and name HN) 1.8 0.0 4.2

assign (residue 52 and name HN) (residue 53 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 52 and name HN) (residue 55 and name HN) 1.8 0.0 4.2


assign (residue 52 and name HN) (residue 56 and (name HG2 or name HG1)) 1.8 0.0 6.2


assign (residue 52 and name HN) (residue 57 and (name HB2 or name HB1)) 1.8 0.0 6.2


assign (residue 52 and name HA) (residue 73 and name HN) 1.8 0.0 6.2


assign (residue 52 and name HD#) (residue 74 and (name HB1 or name HB2)) 1.8 0.0 6.2


!Val-53

!intra


assign (residue 53 and name HN) (residue 53 and name HA) 1.8 0.0 1.7

assign (residue 53 and name HN) (residue 53 and name HB) 1.8 0.0 1.7

assign (residue 53 and name HN) (residue 53 and name HG1#) 1.8 0.0 3.2
assign (residue 53 and name HN) (residue 53 and name HG2#) 1.8 0.0 1.7


assign (residue 53 and name HA) (residue 53 and name HB) 1.8 0.0 1.7

assign (residue 53 and name HA) (residue 53 and name HG1#) 1.8 0.0 1.7
assign (residue 53 and name HA) (residue 53 and name HG2#) 1.8 0.0 1.7


!assign (residue 53 and name HB) (residue 53 and name HA) 1.8 0.0 1.7

assign (residue 53 and name HB) (residue 53 and name HG1#) 1.8 0.0 1.7
assign (residue 53 and name HB) (residue 53 and name HG2#) 1.8 0.0 1.7


assign (residue 53 and name HG1#) (residue 53 and name HA) 1.8 0.0 1.1
assign (residue 53 and name HG2#) (residue 53 and name HA) 1.8 0.0 1.1

assign (residue 53 and name HG1#) (residue 53 and name HB) 1.8 0.0 1.1
assign (residue 53 and name HG2#) (residue 53 and name HB) 1.8 0.0 1.1

!assign (residue 53 and name HG1#) (residue 53 and name HG1#) 1.8 0.0 1.1
!assign (residue 53 and name HG2#) (residue 53 and name HG2#) 1.8 0.0 1.1


!inter


assign (residue 53 and name HN) (residue 52 and name HN) 1.8 0.0 4.2

assign (residue 53 and name HN) (residue 52 and name HA) 1.8 0.0 1.1

assign (residue 53 and name HN) (residue 52 and name HB1) 1.8 0.0 3.2
assign (residue 53 and name HN) (residue 52 and name HB2) 1.8 0.0 3.2

assign (residue 53 and name HN) (residue 52 and (name HD2 or name HD1)) 1.8 0.0 4.2


!assign (residue 53 and name HN) (residue 54 and name HN) 1.8 0.0 4.2


assign (residue 53 and name HN) (residue 73 and name HN) 1.8 0.0 5.2


assign (residue 53 and name HA) (residue 72 and name HB) 1.8 0.0 4.2


assign (residue 53 and name HA) (residue 74 and name HA) 1.8 0.0 4.2


assign (residue 53 and name HG1#) (residue 73 and name HA) 1.8 0.0 1.1


assign (residue 53 and name HG2#) (residue 52 and name HA) 1.8 0.0 1.7

assign (residue 53 and name HG2#) (residue 52 and name HN) 1.8 0.0 3.2


!assign (residue 53 and name HG2#) (residue 74 and name HN) 1.8 0.0 3.2

assign (residue 53 and name HG2#) (residue 74 and name HA) 1.8 0.0 1.1


!assign (residue 53 and name HG2#) (residue 75 and name HB1) 1.8 0.0 1.1

!assign (residue 53 and name HG2#) (residue 75 and name HD1) 1.8 0.0 3.2


!Gly-54

!intra


assign (residue 54 and name HN) (residue 54 and name HA1) 1.8 0.0 1.7
assign (residue 54 and name HN) (residue 54 and name HA2) 1.8 0.0 1.7


!assign (residue 54 and name HA1) (residue 54 and name HA2) 1.8 0.0 1.1
!assign (residue 54 and name HA2) (residue 54 and name HA1) 1.8 0.0 1.1


!inter


assign (residue 54 and name HN) (residue 53 and name HN) 1.8 0.0 4.2

assign (residue 54 and name HN) (residue 53 and name HA) 1.8 0.0 1.7
assign (residue 54 and name HN) (residue 53 and name HB) 1.8 0.0 4.2

assign (residue 54 and name HN) (residue 53 and name HG1#) 1.8 0.0 1.7
assign (residue 54 and name HN) (residue 53 and name HG2#) 1.8 0.0 3.2


!assign (residue 54 and name HN) (residue 55 and name HN) 1.8 0.0 1.7


assign (residue 54 and name HN) (residue 71 and name HN) 1.8 0.0 6.2


assign (residue 54 and name HN) (residue 72 and name HB) 1.8 0.0 4.2


!Gly-55

!intra


assign (residue 55 and name HN) (residue 55 and name HA1) 1.8 0.0 1.7
assign (residue 55 and name HN) (residue 55 and name HA2) 1.8 0.0 1.7


!assign (residue 55 and name HA1) (residue 55 and name HA2) 1.8 0.0 1.7
!assign (residue 55 and name HA2) (residue 55 and name HA1) 1.8 0.0 1.7


!inter


assign (residue 55 and name HN) (residue 51 and name HB#) 1.8 0.0 5.2


assign (residue 55 and name HN) (residue 52 and (name HD2 or name HD1)) 1.8 0.0 4.2

assign (residue 55 and name HN) (residue 52 and name HE#) 1.8 0.0 6.2


assign (residue 55 and name HN) (residue 53 and name HA) 1.8 0.0 1.7

assign (residue 55 and name HN) (residue 53 and name HB) 1.8 0.0 4.2

assign (residue 55 and name HN) (residue 53 and name HG1#) 1.8 0.0 3.2
assign (residue 55 and name HN) (residue 53 and name HG2#) 1.8 0.0 4.2


assign (residue 55 and name HN) (residue 54 and name HN) 1.8 0.0 1.7

assign (residue 55 and name HN) (residue 54 and name HA1) 1.8 0.0 4.2
assign (residue 55 and name HN) (residue 54 and name HA2) 1.8 0.0 4.2


!assign (residue 55 and name HN) (residue 56 and name HN) 1.8 0.0 4.2


assign (residue 55 and name HN) (residue 72 and name HB) 1.8 0.0 4.2





!Arg-56

!intra


assign (residue 56 and name HN) (residue 56 and name HA) 1.8 0.0 4.2

assign (residue 56 and name HN) (residue 56 and name HB#) 1.8 0.0 1.7

 assign (residue 56 and name HN) (residue 56 and name HD#) 1.8 0.0 4.2


assign (residue 56 and name HA) (residue 56 and name HB#) 1.8 0.0 1.7


!assign (residue 56 and name HB#) (residue 56 and name HB#) 1.8 0.0 1.1

!inter


assign (residue 56 and name HN) (residue 50 and (name HB2 or name HB1)) 1.8 0.0 4.2


assign (residue 56 and name HN) (residue 51 and (name HB1 or name HB2)) 1.8 0.0 6.2


assign (residue 56 and name HN) (residue 55 and name HN) 1.8 0.0 4.2

assign (residue 56 and name HN) (residue 55 and name HA1) 1.8 0.0 1.7
assign (residue 56 and name HN) (residue 55 and name HA2) 1.8 0.0 1.7


!assign (residue 56 and name HN) (residue 57 and name HN) 1.8 0.0 4.2


assign (residue 56 and name HN) (residue 58 and name HE#) 1.8 0.0 4.2


assign (residue 56 and name HA) (residue 71 and name HA) 1.8 0.0 4.2


assign (residue 56 and name HB#) (residue 51 and (name HB1 or name HB2)) 1.8 0.0 7.2


assign (residue 56 and name HD#) (residue 68 and (name HG1# or name HG2#)) 1.8 0.0 3.2


!Tyr-57

!intra


assign (residue 57 and name HN) (residue 57 and name HA) 1.8 0.0 4.2

assign (residue 57 and name HN) (residue 57 and name HB#) 1.8 0.0 4.2


assign (residue 57 and name HA) (residue 57 and name HB#) 1.8 0.0 4.2


!assign (residue 57 and name HB#) (residue 57 and name HB#) 1.8 0.0 1.1


!inter


assign (residue 57 and name HN) (residue 49 and (name HB1 or name HB2)) 1.8 0.0 4.2


assign (residue 57 and name HN) (residue 56 and name HN) 1.8 0.0 4.2

assign (residue 57 and name HN) (residue 56 and name HA) 1.8 0.0 1.7

assign (residue 57 and name HN) (residue 56 and name HB#) 1.8 0.0 1.7


assign (residue 57 and name HN) (residue 58 and name HN) 1.8 0.0 4.2

assign (residue 57 and name HN) (residue 58 and name HA) 1.8 0.0 4.2


assign (residue 57 and name HN) (residue 68 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 57 and name HN) (residue 69 and name HZ3) 1.8 0.0 6.2


!assign (residue 57 and name HN) (residue 70 and name HN) 1.8 0.0 4.2


!assign (residue 57 and name HN) (residue 71 and name HA) 1.8 0.0 4.2


assign (residue 57 and name HA) (residue 49 and name HA) 1.8 0.0 5.2


assign (residue 57 and name HA) (residue 69 and (name HB1 or name HB2)) 1.8 0.0 6.2


assign (residue 57 and name HB#) (residue 48 and name HB#) 1.8 0.0 6.2


assign (residue 57 and (name HB2 or name HB1)) (residue 49 and (name HB1 or name HB2)) 1.8 0.0 4.2


assign (residue 57 and (name HB2 or name HB1)) (residue 71 and (name HG2 or name HG1)) 1.8 0.0 3.2


assign (residue 57 and (name HB2 or name HB1)) (residue 84 and name HB) 1.8 0.0 6.2


!Tyr-58

!intra


assign (residue 58 and name HN) (residue 58 and name HA) 1.8 0.0 4.2

assign (residue 58 and name HN) (residue 58 and name HB#) 1.8 0.0 1.7

assign (residue 58 and name HN) (residue 58 and name HD#) 1.8 0.0 3.2

assign (residue 58 and name HN) (residue 58 and name HE#) 1.8 0.0 4.2


assign (residue 58 and name HA) (residue 58 and name HB#) 1.8 0.0 4.2


assign (residue 58 and name HE#) (residue 58 and name HB#) 1.8 0.0 3.2

assign (residue 58 and name HE#) (residue 58 and name HD#) 1.8 0.0 1.1


!inter

assign (residue 58 and name HN) (residue 48 and name HN) 1.8 0.0 4.2


assign (residue 58 and name HN) (residue 49 and name HA) 1.8 0.0 6.2


assign (residue 58 and name HN) (residue 56 and name HB#) 1.8 0.0 4.2


assign (residue 58 and name HN) (residue 57 and name HB#) 1.8 0.0 4.2


!assign (residue 58 and name HN) (residue 59 and name HN) 1.8 0.0 4.2


assign (residue 58 and name HN) (residue 72 and name HG1#) 1.8 0.0 6.2


assign (residue 58 and name HA) (residue 59 and name HN) 1.8 0.0 4.2


!assign (residue 58 and name HA) (residue 68 and name HA) 1.8 0.0 4.2

assign (residue 58 and name HA) (residue 68 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 58 and name HA) (residue 69 and name HA) 1.8 0.0 5.2


assign (residue 58 and name HE#) (residue 57 and (name HB2 or name HB1)) 1.8 0.0 6.2


assign (residue 58 and name HE#) (residue 59 and (name HB2 or name HB1)) 1.8 0.0 6.2


!!! assign (residue 58 and name HE#) (residue 60 and name HA) 1.8 0.0 4.2


!!! assign (residue 58 and name HE#) (residue 71 and (name HB1 or name HB2)) 1.8 0.0 7.2


assign (residue 58 and name HE#) (residue 72 and name HG1#) 1.8 0.0 6.2


!Glu-59

!intra


assign (residue 59 and name HN) (residue 59 and name HB1) 1.8 0.0 4.2
assign (residue 59 and name HN) (residue 59 and name HB2) 1.8 0.0 4.2


assign (residue 59 and name HA) (residue 59 and name HB1) 1.8 0.0 4.2
assign (residue 59 and name HA) (residue 59 and name HB2) 1.8 0.0 4.2


!assign (residue 59 and name HB1) (residue 59 and name HB2) 1.8 0.0 1.1
!assign (residue 59 and name HB2) (residue 59 and name HB1) 1.8 0.0 1.1


!inter

assign (residue 59 and name HN) (residue 58 and name HN) 1.8 0.0 4.2

assign (residue 59 and name HN) (residue 58 and name HA) 1.8 0.0 1.7

assign (residue 59 and name HN) (residue 58 and name HB#) 1.8 0.0 4.2

assign (residue 59 and name HN) (residue 58 and name HD#) 1.8 0.0 4.2


!assign (residue 59 and name HN) (residue 60 and name HA) 1.8 0.0 4.2


assign (residue 59 and name HN) (residue 68 and name HA) 1.8 0.0 4.2

assign (residue 59 and name HN) (residue 68 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 59 and name HA) (residue 47 and name HA) 1.8 0.0 3.2


!assign (residue 59 and name HA) (residue 48 and name HA) 1.8 0.0 6.2


!Trp-60

!intra


assign (residue 60 and name HN) (residue 60 and name HA) 1.8 0.0 4.2

assign (residue 60 and name HN) (residue 60 and name HB#) 1.8 0.0 4.2

assign (residue 60 and name HN) (residue 60 and name HD1) 1.8 0.0 4.2


assign (residue 60 and name HA) (residue 60 and name HB1) 1.8 0.0 4.2
assign (residue 60 and name HA) (residue 60 and name HB2) 1.8 0.0 4.2


assign (residue 60 and name HD1) (residue 60 and name HA) 1.8 0.0 4.2

assign (residue 60 and name HD1) (residue 60 and name HB1) 1.8 0.0 3.2
assign (residue 60 and name HD1) (residue 60 and name HB2) 1.8 0.0 4.2


!inter


assign (residue 60 and name HN) (residue 45 and name HB#) 1.8 0.0 5.2


assign (residue 60 and name HN) (residue 46 and name HN) 1.8 0.0 4.2


assign (residue 60 and name HN) (residue 47 and name HA) 1.8 0.0 3.2


assign (residue 60 and name HN) (residue 59 and name HN) 1.8 0.0 4.2

assign (residue 60 and name HN) (residue 59 and name HA) 1.8 0.0 4.2

assign (residue 60 and name HN) (residue 59 and name HB2) 1.8 0.0 4.2
assign (residue 60 and name HN) (residue 59 and name HB1) 1.8 0.0 4.2


!assign (residue 60 and name HN) (residue 61 and name HN) 1.8 0.0 4.2


assign (residue 60 and name HA) (residue 59 and name HN) 1.8 0.0 4.2

assign (residue 60 and name HA) (residue 59 and (name HB1 or name HB2)) 1.8 0.0 4.2


!assign (residue 60 and name HA) (residue 66 and name HA) 1.8 0.0 4.2

assign (residue 60 and name HA) (residue 66 and (name HG1 or name HG2)) 1.8 0.0 4.2


assign (residue 60 and name HD1) (residue 45 and name HB#) 1.8 0.0 6.2


assign (residue 60 and name HD1) (residue 64 and (name HA1 or name HA2)) 1.8 0.0 6.2


assign (residue 60 and name HD1) (residue 65 and name HB) 1.8 0.0 6.2


!Asp-61

!intra


assign (residue 61 and name HN) (residue 61 and name HA) 1.8 0.0 4.2

assign (residue 61 and name HN) (residue 61 and name HB#) 1.8 0.0 1.7


!inter


assign (residue 61 and name HN) (residue 41 and name HA) 1.8 0.0 8.2


assign (residue 61 and name HN) (residue 42 and (name HB2 or name HB1)) 1.8 0.0 4.2

assign (residue 61 and name HN) (residue 42 and (name HG1 or name HG2)) 1.8 0.0 5.2


!assign (residue 61 and name HN) (residue 45 and name HN) 1.8 0.0 4.5


assign (residue 61 and name HN) (residue 59 and name HN) 1.8 0.0 5.2


assign (residue 61 and name HN) (residue 60 and name HN) 1.8 0.0 4.2

assign (residue 61 and name HN) (residue 60 and name HD1) 1.8 0.0 4.2


!assign (residue 61 and name HN) (residue 62 and name HN) 1.8 0.0 4.2


assign (residue 61 and name HA) (residue 41 and name HB#) 1.8 0.0 8.2


assign (residue 61 and name HA) (residue 44 and name HB#) 1.8 0.0 4.2

assign (residue 61 and name HA) (residue 44 and name HD1) 1.8 0.0 6.2
assign (residue 61 and name HA) (residue 44 and name HD2) 1.8 0.0 6.2



!Ile-62

!intra


assign (residue 62 and name HN) (residue 62 and name HA) 1.8 0.0 4.2

assign (residue 62 and name HN) (residue 62 and name HB) 1.8 0.0 4.2

assign (residue 62 and name HN) (residue 62 and name HG2#) 1.8 0.0 3.2

assign (residue 62 and name HN) (residue 62 and name HD1#) 1.8 0.0 3.2


assign (residue 62 and name HB) (residue 62 and name HA) 1.8 0.0 1.1


assign (residue 62 and name HG11) (residue 62 and name HA) 1.8 0.0 3.2
assign (residue 62 and name HG12) (residue 62 and name HA) 1.8 0.0 1.7

assign (residue 62 and name HG11) (residue 62 and name HB) 1.8 0.0 1.1
assign (residue 62 and name HG12) (residue 62 and name HB) 1.8 0.0 1.1

assign (residue 62 and name HG2#) (residue 62 and name HA) 1.8 0.0 1.7

assign (residue 62 and name HG2#) (residue 62 and name HB) 1.8 0.0 1.1

assign (residue 62 and name HG2#) (residue 62 and name HG11) 1.8 0.0 1.1
assign (residue 62 and name HG2#) (residue 62 and name HG12) 1.8 0.0 1.1

!assign (residue 62 and name HG2#) (residue 62 and name HG2#) 1.8 0.0 1.1


assign (residue 62 and name HD1#) (residue 62 and name HA) 1.8 0.0 3.2

assign (residue 62 and name HD1#) (residue 62 and name HB) 1.8 0.0 1.7

assign (residue 62 and name HD1#) (residue 62 and name HG11) 1.8 0.0 1.1
assign (residue 62 and name HD1#) (residue 62 and name HG12) 1.8 0.0 1.1


!inter


assign (residue 62 and name HN) (residue 33 and name HB#) 1.8 0.0 6.2


assign (residue 62 and name HN) (residue 59 and (name HB2 or name HB1)) 1.8 0.0 6.2


assign (residue 62 and name HN) (residue 61 and name HN) 1.8 0.0 4.2

assign (residue 62 and name HN) (residue 61 and name HA) 1.8 0.0 4.2

assign (residue 62 and name HN) (residue 61 and name HB#) 1.8 0.0 3.2


assign (residue 62 and name HG2#) (residue 42 and name HE#) 1.8 0.0 3.2


assign (residue 62 and name HG2#) (residue 43 and name HA) 1.8 0.0 5.2

assign (residue 62 and name HG2#) (residue 43 and name HB#) 1.8 0.0 4.2


assign (residue 62 and name HG2#) (residue 45 and name HA) 1.8 0.0 6.2


assign (residue 62 and name HD1#) (residue 42 and name HA) 1.8 0.0 4.2

assign (residue 62 and name HD1#) (residue 42 and name HB#) 1.8 0.0 4.2

assign (residue 62 and name HD1#) (residue 42 and name HD#) 1.8 0.0 3.2

assign (residue 62 and name HD1#) (residue 42 and name HE#) 1.8 0.0 3.2


assign (residue 62 and name HD1#) (residue 43 and name HB#) 1.8 0.0 4.2

!Asp-63

!intra

assign (residue 63 and name HN) (residue 63 and name HA) 1.8 0.0 1.7

assign (residue 63 and name HN) (residue 63 and name HB#) 1.8 0.0 1.1

assign (residue 63 and name HA) (residue 63 and name HB#) 1.8 0.0 1.7

!inter

assign (residue 63 and name HN) (residue 62 and name HN) 1.8 0.0 1.7

assign (residue 63 and name HN) (residue 62 and name HA) 1.8 0.0 1.7

assign (residue 63 and name HN) (residue 62 and name HB) 1.8 0.0 3.2

assign (residue 63 and name HN) (residue 62 and name HG1#) 1.8 0.0 3.2

assign (residue 63 and name HN) (residue 62 and name HD1#) 1.8 0.0 3.2



assign (residue 63 and name HN) (residue 64 and name HN) 1.8 0.0 1.1


!Gly-64

!intra


assign (residue 64 and name HN) (residue 64 and name HA1) 1.8 0.0 1.7
assign (residue 64 and name HN) (residue 64 and name HA2) 1.8 0.0 1.1


assign (residue 64 and name HA1) (residue 64 and name HA2) 1.8 0.0 1.1


!inter


assign (residue 64 and name HN) (residue 43 and name HN) 1.8 0.0 6.2


assign (residue 64 and name HN) (residue 60 and name HD1) 1.8 0.0 6.2

assign (residue 64 and (name HA1 or name HA2)) (residue 60 and (name HB1 or name HB2)) 1.8 0.0 5.2


assign (residue 64 and name HN) (residue 63 and name HN) 1.8 0.0 3.2

assign (residue 64 and name HN) (residue 63 and name HA) 1.8 0.0 4.2

assign (residue 64 and name HN) (residue 63 and name HB#) 1.8 0.0 3.2


assign (residue 64 and name HN) (residue 65 and name HN) 1.8 0.0 3.2

assign (residue 64 and name HN) (residue 65 and name HA) 1.8 0.0 4.2

assign (residue 64 and name HN) (residue 65 and name HG2#) 1.8 0.0 4.2



!Thr-65

!intra


assign (residue 65 and name HN) (residue 65 and name HA) 1.8 0.0 1.7

assign (residue 65 and name HN) (residue 65 and name HB) 1.8 0.0 1.7

assign (residue 65 and name HN) (residue 65 and name HG2#) 1.8 0.0 3.2


assign (residue 65 and name HA) (residue 65 and name HB) 1.8 0.0 1.1

assign (residue 65 and name HA) (residue 65 and name HG2#) 1.8 0.0 1.7


assign (residue 65 and name HB) (residue 65 and name HG2#) 1.8 0.0 1.1


assign (residue 65 and name HG2#) (residue 65 and name HA) 1.8 0.0 1.1

assign (residue 65 and name HG2#) (residue 65 and name HB) 1.8 0.0 1.1

!inter


assign (residue 65 and name HN) (residue 42 and name HN) 1.8 0.0 8.2


! assign (residue 65 and name HN) (residue 43 and name HN) 1.8 0.0 8.2


assign (residue 65 and name HN) (residue 60 and name HA) 1.8 0.0 6.2

assign (residue 65 and name HN) (residue 60 and (name HB1 or name HB2)) 1.8 0.0 5.2


assign (residue 65 and name HN) (residue 63 and name HA) 1.8 0.0 4.5


assign (residue 65 and name HN) (residue 64 and name HA1) 1.8 0.0 1.7
assign (residue 65 and name HN) (residue 64 and name HA2) 1.8 0.0 1.7


!assign (residue 65 and name HN) (residue 66 and name HN) 1.8 0.0 1.1


assign (residue 65 and name HN) (residue 67 and name HN) 1.8 0.0 5.2


assign (residue 65 and name HB) (residue 61 and name HB#) 1.8 0.0 6.2


assign (residue 65 and name HB) (residue 67 and name HG1#) 1.8 0.0 5.2


assign (residue 65 and name HG2#) (residue 67 and name HD1#) 1.8 0.0 3.2



!Glu-66

!intra


assign (residue 66 and name HN) (residue 66 and name HA) 1.8 0.0 4.2

assign (residue 66 and name HN) (residue 66 and name HB1) 1.8 0.0 1.7
assign (residue 66 and name HN) (residue 66 and name HB2) 1.8 0.0 1.7

assign (residue 66 and name HN) (residue 66 and name HG1) 1.8 0.0 4.2
assign (residue 66 and name HN) (residue 66 and name HG2) 1.8 0.0 3.2


assign (residue 66 and name HA) (residue 66 and name HB1) 1.8 0.0 1.7
assign (residue 66 and name HA) (residue 66 and name HB2) 1.8 0.0 1.7

assign (residue 66 and name HA) (residue 66 and (name HG1 or name HG2)) 1.8 0.0 4.2


!assign (residue 66 and name HB1) (residue 66 and name HA) 1.8 0.0 1.7
!assign (residue 66 and name HB2) (residue 66 and name HA) 1.8 0.0 1.7


!inter

assign (residue 66 and name HN) (residue 65 and name HN) 1.8 0.0 4.2

assign (residue 66 and name HN) (residue 65 and name HA) 1.8 0.0 1.1

assign (residue 66 and name HN) (residue 65 and name HB) 1.8 0.0 4.2

assign (residue 66 and name HN) (residue 65 and name HG2#) 1.8 0.0 1.7


!assign (residue 66 and name HN) (residue 67 and name HN) 1.8 0.0 4.2


assign (residue 66 and name HA) (residue 60 and name HA) 1.8 0.0 4.2

assign (residue 66 and name HA) (residue 60 and name HB1) 1.8 0.0 4.2
assign (residue 66 and name HA) (residue 60 and name HB2) 1.8 0.0 4.2


!assign (residue 66 and name HA) (residue 67 and name HN) 1.8 0.0 1.7


!Ile-67

!intra


assign (residue 67 and name HN) (residue 67 and name HA) 1.8 0.0 1.7

assign (residue 67 and name HN) (residue 67 and name HB) 1.8 0.0 4.2

assign (residue 67 and name HN) (residue 67 and name HG1#) 1.8 0.0 3.2
assign (residue 67 and name HN) (residue 67 and name HG2#) 1.8 0.0 4.2

assign (residue 67 and name HN) (residue 67 and name HD1#) 1.8 0.0 4.2


!assign (residue 67 and name HA) (residue 67 and name HN) 1.8 0.0 4.2

assign (residue 67 and name HA) (residue 67 and name HB) 1.8 0.0 1.7

assign (residue 67 and name HA) (residue 67 and name HG1#) 1.8 0.0 1.7
assign (residue 67 and name HA) (residue 67 and name HG2#) 1.8 0.0 1.7

assign (residue 67 and name HA) (residue 67 and name HD1#) 1.8 0.0 3.2


!assign (residue 67 and name HB) (residue 67 and name HA) 1.8 0.0 1.7

assign (residue 67 and name HB) (residue 67 and name HG1#) 1.8 0.0 1.7
assign (residue 67 and name HB) (residue 67 and name HG2#) 1.8 0.0 1.7

assign (residue 67 and name HB) (residue 67 and name HD1#) 1.8 0.0 1.7


assign (residue 67 and name HG11) (residue 67 and name HA) 1.8 0.0 1.7
assign (residue 67 and name HG12) (residue 67 and name HA) 1.8 0.0 3.2

assign (residue 67 and name HG2#) (residue 67 and name HA) 1.8 0.0 1.7

assign (residue 67 and name HG2#) (residue 67 and name HB) 1.8 0.0 1.7

assign (residue 67 and name HG2#) (residue 67 and name HG1#) 1.8 0.0 1.7

assign (residue 67 and name HD1#) (residue 67 and name HG1#) 1.8 0.0 1.7


!inter


assign (residue 67 and name HN) (residue 58 and name HD#) 1.8 0.0 6.2


assign (residue 67 and name HN) (residue 59 and name HN) 1.8 0.0 1.1


assign (residue 67 and name HN) (residue 60 and name HA) 1.8 0.0 3.2

assign (residue 67 and name HN) (residue 60 and name HB1) 1.8 0.0 5.2
assign (residue 67 and name HN) (residue 60 and name HB2) 1.8 0.0 5.2


assign (residue 67 and name HN) (residue 61 and name HN) 1.8 0.0 4.2

assign (residue 67 and name HN) (residue 61 and name HA) 1.8 0.0 6.2


assign (residue 67 and name HN) (residue 66 and name HN) 1.8 0.0 4.2

assign (residue 67 and name HN) (residue 66 and name HA) 1.8 0.0 1.1

assign (residue 67 and name HN) (residue 66 and name HB1) 1.8 0.0 4.2
assign (residue 67 and name HN) (residue 66 and name HB2) 1.8 0.0 3.2

assign (residue 67 and name HN) (residue 66 and name HG1) 1.8 0.0 4.2
assign (residue 67 and name HN) (residue 66 and name HG2) 1.8 0.0 4.2


!assign (residue 67 and name HN) (residue 68 and name HN) 1.8 0.0 4.2

assign (residue 67 and name HN) (residue 68 and name HA) 1.8 0.0 4.2


!assign (residue 67 and name HA) (residue 60 and name HA) 1.8 0.0 4.2


assign (residue 67 and name HD1#) (residue 57 and name HB#) 1.8 0.0 5.2


assign (residue 67 and name HD1#) (residue 66 and name HB#) 1.8 0.0 5.2


assign (residue 67 and name HD1#) (residue 69 and name HA) 1.8 0.0 4.2


assign (residue 67 and name HD1#) (residue 92 and name HA) 1.8 0.0 3.2


assign (residue 67 and name HD1#) (residue 93 and name HB1) 1.8 0.0 4.2
assign (residue 67 and name HD1#) (residue 93 and name HB2) 1.8 0.0 4.5


!Val-68

!intra


assign (residue 68 and name HN) (residue 68 and name HA) 1.8 0.0 1.7

assign (residue 68 and name HN) (residue 68 and name HB) 1.8 0.0 1.7

assign (residue 68 and name HN) (residue 68 and (name HG1# or name HG2#)) 1.8 0.0 1.1


assign (residue 68 and name HA) (residue 68 and (name HG1# or name HG2#)) 1.8 0.0 1.7


!inter


!assign (residue 68 and name HN) (residue 58 and name HA) 1.8 0.0 4.2


!assign (residue 68 and name HN) (residue 59 and name HN) 1.8 0.0 4.2


!assign (residue 68 and name HN) (residue 60 and name HA) 1.8 0.0 4.2


assign (residue 68 and name HN) (residue 67 and name HN) 1.8 0.0 4.2

assign (residue 68 and name HN) (residue 67 and name HA) 1.8 0.0 3.2

assign (residue 68 and name HN) (residue 67 and name HG1#) 1.8 0.0 4.2
assign (residue 68 and name HN) (residue 67 and name HG2#) 1.8 0.0 4.2

assign (residue 68 and name HN) (residue 67 and name HD1#) 1.8 0.0 4.2


!assign (residue 68 and name HN) (residue 69 and name HN) 1.8 0.0 4.2

assign (residue 68 and name HN) (residue 69 and name HA) 1.8 0.0 4.2


assign (residue 68 and name HA) (residue 58 and name HA) 1.8 0.0 4.2


!assign (residue 68 and name HA) (residue 69 and name HN) 1.8 0.0 4.2


!Trp-69

!intra


assign (residue 69 and name HN) (residue 69 and name HA) 1.8 0.0 4.2

assign (residue 69 and name HN) (residue 69 and name HB1) 1.8 0.0 4.2
assign (residue 69 and name HN) (residue 69 and name HB2) 1.8 0.0 4.2


assign (residue 69 and name HE3) (residue 69 and (name HB1 or name HB2)) 1.8 0.0 1.7

assign (residue 69 and name HE3) (residue 69 and name HZ3) 1.8 0.0 1.7


assign (residue 69 and name HH2) (residue 69 and name HZ2) 1.8 0.0 3.2


!inter

assign (residue 69 and name HN) (residue 68 and name HN) 1.8 0.0 4.2

assign (residue 69 and name HN) (residue 68 and name HA) 1.8 0.0 4.2

assign (residue 69 and name HN) (residue 68 and name HB) 1.8 0.0 6.2

assign (residue 69 and name HN) (residue 68 and (name HG1# or name HG2#)) 1.8 0.0 4.2


!assign (residue 69 and name HN) (residue 70 and name HN) 1.8 0.0 4.2


assign (residue 69 and name HE3) (residue 68 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 69 and name HE3) (residue 71 and name HB#) 1.8 0.0 5.2


assign (residue 69 and name HE3) (residue 83 and name HA) 1.8 0.0 7.2


assign (residue 69 and name HH2) (residue 49 and name HZ) 1.8 0.0 6.2


!!! assign (residue 69 and name HH2) (residue 68 and name HB) 1.8 0.0 6.2


assign (residue 69 and name HH2) (residue 81 and (name HD1# or name HD2#)) 1.8 0.0 4.2



!Gly-70

!intra


assign (residue 70 and name HN) (residue 70 and name HA1) 1.8 0.0 4.2
assign (residue 70 and name HN) (residue 70 and name HA2) 1.8 0.0 4.2


!assign (residue 70 and name HA1) (residue 70 and name HA2) 1.8 0.0 4.2


!assign (residue 70 and name HA2) (residue 70 and name HA1) 1.8 0.0 4.2


!inter


!assign (residue 70 and name HN) (residue 56 and name HA) 1.8 0.0 6.2


assign (residue 70 and name HN) (residue 57 and name HN) 1.8 0.0 4.2


assign (residue 70 and name HN) (residue 68 and name HG#) 1.8 0.0 4.2


assign (residue 70 and name HN) (residue 69 and name HN) 1.8 0.0 4.2

assign (residue 70 and name HN) (residue 69 and name HA) 1.8 0.0 4.2

assign (residue 70 and name HN) (residue 69 and name HB1) 1.8 0.0 4.2
assign (residue 70 and name HN) (residue 69 and name HB2) 1.8 0.0 4.2

assign (residue 70 and name HN) (residue 69 and name HZ3) 1.8 0.0 4.2

assign (residue 70 and name HA2) (residue 68 and name HG#) 1.8 0.0 6.2


assign (residue 70 and (name HA2 or name HA1)) (residue 69 and name HZ3) 1.8 0.0 4.2


assign (residue 70 and (name HA2 or name HA1)) (residue 71 and name HG#) 1.8 0.0 4.2


!Arg-71

!intra


assign (residue 71 and name HN) (residue 71 and name HA) 1.8 0.0 4.2

assign (residue 71 and name HN) (residue 71 and name HB#) 1.8 0.0 1.7

assign (residue 71 and name HN) (residue 71 and name HG#) 1.8 0.0 3.2


!assign (residue 71 and name HA) (residue 71 and name HB#) 1.8 0.0 1.7

assign (residue 71 and name HA) (residue 71 and name HG#) 1.8 0.0 1.7

assign (residue 71 and name HA) (residue 71 and name HD#) 1.8 0.0 4.2


assign (residue 71 and name HB1) (residue 71 and name HA) 1.8 0.0 1.7
assign (residue 71 and name HB2) (residue 71 and name HA) 1.8 0.0 1.7

assign (residue 71 and name HB1) (residue 71 and name HG#) 1.8 0.0 1.1
assign (residue 71 and name HB2) (residue 71 and name HG#) 1.8 0.0 1.1


!inter


assign (residue 71 and name HN) (residue 69 and name HZ3) 1.8 0.0 4.2


assign (residue 71 and name HN) (residue 70 and name HA1) 1.8 0.0 4.2

assign (residue 71 and name HN) (residue 70 and name HA2) 1.8 0.0 4.2

assign (residue 71 and name HN) (residue 70 and name HN) 1.8 0.0 4.2


!assign (residue 71 and name HN) (residue 72 and name HN) 1.8 0.0 3.2


assign (residue 71 and name HN) (residue 83 and (name HB2 or name HB1)) 1.8 0.0 4.2


assign (residue 71 and name HN) (residue 84 and name HB) 1.8 0.0 4.2

assign (residue 71 and name HN) (residue 84 and name HG2#) 1.8 0.0 4.2


!!! assign (residue 71 and name HN) (residue 89 and name HN) 1.8 0.0 4.2


!assign (residue 71 and name HA) (residue 72 and name HN) 1.8 0.0 3.2

assign (residue 71 and name HA) (residue 72 and name HA) 1.8 0.0 4.2

assign (residue 71 and name HA) (residue 72 and name HB) 1.8 0.0 4.2


assign (residue 71 and name HA) (residue 84 and name HA) 1.8 0.0 6.2



!Ile-72

!intra


assign (residue 72 and name HN) (residue 72 and name HA) 1.8 0.0 4.2

assign (residue 72 and name HN) (residue 72 and name HB) 1.8 0.0 1.7

assign (residue 72 and name HN) (residue 72 and name HG1#) 1.8 0.0 4.2


assign (residue 72 and name HA) (residue 72 and name HB) 1.8 0.0 4.2

assign (residue 72 and name HA) (residue 72 and name HG1#) 1.8 0.0 1.7


!assign (residue 72 and name HB) (residue 72 and name HA) 1.8 0.0 4.2

assign (residue 72 and name HB) (residue 72 and name HG1#) 1.8 0.0 1.7


assign (residue 72 and name HG2#) (residue 72 and name HA) 1.8 0.0 1.7

assign (residue 72 and name HG2#) (residue 72 and name HB) 1.8 0.0 1.1

assign (residue 72 and name HG2#) (residue 72 and name HD1#) 1.8 0.0 1.7

assign (residue 72 and name HG2#) (residue 72 and name HG11) 1.8 0.0 1.1
assign (residue 72 and name HG2#) (residue 72 and name HG12) 1.8 0.0 1.1


assign (residue 72 and name HD1#) (residue 72 and name HN) 1.8 0.0 1.7

assign (residue 72 and name HD1#) (residue 72 and name HA) 1.8 0.0 3.2

assign (residue 72 and name HD1#) (residue 72 and name HB) 1.8 0.0 1.7


assign (residue 72 and name HD1#) (residue 72 and name HG11) 1.8 0.0 1.1
assign (residue 72 and name HD1#) (residue 72 and name HG12) 1.8 0.0 1.1


!inter

assign (residue 72 and name HN) (residue 53 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 72 and name HN) (residue 55 and name HN) 1.8 0.0 4.2


!!! assign (residue 72 and name HN) (residue 56 and name HA) 1.8 0.0 4.2


!!! assign (residue 72 and name HN) (residue 58 and name HE#) 1.8 0.0 6.2


assign (residue 72 and name HN) (residue 71 and name HN) 1.8 0.0 4.2

assign (residue 72 and name HN) (residue 71 and name HA) 1.8 0.0 1.7

assign (residue 72 and name HN) (residue 71 and name HB#) 1.8 0.0 4.2

assign (residue 72 and name HN) (residue 71 and name HG#) 1.8 0.0 4.2


!assign (residue 72 and name HN) (residue 73 and name HN) 1.8 0.0 4.2


!!! assign (residue 72 and name HN) (residue 82 and name HB#) 1.8 0.0 6.2


!assign (residue 72 and name HN) (residue 83 and name HA) 1.8 0.0 4.2


!assign (residue 72 and name HN) (residue 84 and name HA) 1.8 0.0 4.2

assign (residue 72 and name HN) (residue 84 and name HN) 1.8 0.0 4.2


!!! assign (residue 72 and name HA) (residue 25 and name HD#) 1.8 0.0 6.2



assign (residue 72 and name HG2#) (residue 53 and name HA) 1.8 0.0 3.2

assign (residue 72 and name HG2#) (residue 53 and name HB) 1.8 0.0 4.2


assign (residue 72 and name HG2#) (residue 56 and name HB#) 1.8 0.0 6.2


assign (residue 72 and name HG2#) (residue 74 and name HA) 1.8 0.0 3.2


assign (residue 72 and name HG2#) (residue 81 and name HD2#) 1.8 0.0 4.2


assign (residue 72 and name HD1#) (residue 26 and name HG2#) 1.8 0.0 5.2

assign (residue 72 and name HD1#) (residue 49 and name HA) 1.8 0.0 3.2

assign (residue 72 and name HD1#) (residue 49 and name HB2) 1.8 0.0 1.7

assign (residue 72 and name HD1#) (residue 49 and name HD#) 1.8 0.0 1.1

assign (residue 72 and name HD1#) (residue 49 and name HE#) 1.8 0.0 3.2


assign (residue 72 and name HD1#) (residue 52 and name HN) 1.8 0.0 4.2


assign (residue 72 and name HD1#) (residue 53 and name HA) 1.8 0.0 4.2


assign (residue 72 and name HD1#) (residue 58 and name HB#) 1.8 0.0 5.2

assign (residue 72 and name HD1#) (residue 58 and name HE#) 1.8 0.0 4.2


assign (residue 72 and name HD1#) (residue 71 and name HB1) 1.8 0.0 3.2


assign (residue 72 and name HD1#) (residue 83 and name HA) 1.8 0.0 4.2

assign (residue 72 and name HD1#) (residue 83 and name HB#) 1.8 0.0 3.2


! assign (residue 72 and name HD1#) (residue 85 and name HZ3) 1.8 0.0 8.2


!Leu-73

!intra


assign (residue 73 and name HN) (residue 73 and name HA) 1.8 0.0 4.2

assign (residue 73 and name HN) (residue 73 and (name HB1 or name HB2)) 1.8 0.0 4.2

assign (residue 73 and name HN) (residue 73 and name HG) 1.8 0.0 3.2

assign (residue 73 and name HN) (residue 73 and (name HD1# or name HD2#)) 1.8 0.0 4.2


!assign (residue 73 and name HA) (residue 73 and name HN) 1.8 0.0 4.2

assign (residue 73 and name HA) (residue 73 and name HG) 1.8 0.0 1.7

assign (residue 73 and name HA) (residue 73 and (name HD1# or name HD2#)) 1.8 0.0 1.1


assign (residue 73 and name HB1) (residue 73 and name HA) 1.8 0.0 4.2
assign (residue 73 and name HB2) (residue 73 and name HA) 1.8 0.0 4.2

!assign (residue 73 and name HB1) (residue 73 and name HB2) 1.8 0.0 4.2
!assign (residue 73 and name HB2) (residue 73 and name HB1) 1.8 0.0 4.2

assign (residue 73 and name HB1) (residue 73 and (name HD1# or name HD2#)) 1.8 0.0 1.7
assign (residue 73 and name HB2) (residue 73 and (name HD1# or name HD2#)) 1.8 0.0 1.7


!inter


assign (residue 73 and name HN) (residue 72 and name HN) 1.8 0.0 4.2

assign (residue 73 and name HN) (residue 72 and name HA) 1.8 0.0 1.7

assign (residue 73 and name HN) (residue 72 and name HB) 1.8 0.0 4.2

assign (residue 73 and name HN) (residue 72 and name HG1#) 1.8 0.0 4.2


!assign (residue 73 and name HN) (residue 74 and name HN) 1.8 0.0 1.7

assign (residue 73 and name HN) (residue 74 and name HA) 1.8 0.0 4.2


assign (residue 73 and name HN) (residue 83 and name HA) 1.8 0.0 8.2


!assign (residue 73 and name HA) (residue 74 and name HN) 1.8 0.0 4.2


!assign (residue 73 and name HA) (residue 83 and name HA) 1.8 0.0 4.2


assign (residue 73 and name HD1#) (residue 85 and name HA) 1.8 0.0 5.2






!Glu-74

!intra


assign (residue 74 and name HN) (residue 74 and name HA) 1.8 0.0 1.7

assign (residue 74 and name HN) (residue 74 and name HB1) 1.8 0.0 1.7
assign (residue 74 and name HN) (residue 74 and name HB2) 1.8 0.0 1.7

assign (residue 74 and name HN) (residue 74 and name HG#) 1.8 0.0 4.2


assign (residue 74 and name HA) (residue 74 and name HB1) 1.8 0.0 1.1
assign (residue 74 and name HA) (residue 74 and name HB2) 1.8 0.0 1.1

assign (residue 74 and name HA) (residue 74 and name HG#) 1.8 0.0 1.7


!assign (residue 74 and name HB1) (residue 74 and name HA) 1.8 0.0 1.7
!assign (residue 74 and name HB2) (residue 74 and name HA) 1.8 0.0 1.7

!assign (residue 74 and name HB1) (residue 74 and name HB2) 1.8 0.0 1.7
!assign (residue 74 and name HB2) (residue 74 and name HB1) 1.8 0.0 1.7

assign (residue 74 and name HB1) (residue 74 and name HG#) 1.8 0.0 4.2
assign (residue 74 and name HB2) (residue 74 and name HG#) 1.8 0.0 1.1


!inter


assign (residue 74 and name HN) (residue 52 and name HA) 1.8 0.0 4.2


assign (residue 74 and name HN) (residue 53 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 74 and name HN) (residue 73 and name HN) 1.8 0.0 1.7

assign (residue 74 and name HN) (residue 73 and name HA) 1.8 0.0 1.7

assign (residue 74 and name HN) (residue 73 and (name HB1 or name HB2)) 1.8 0.0 1.7

assign (residue 74 and name HN) (residue 73 and name HG) 1.8 0.0 4.2

assign (residue 74 and name HN) (residue 73 and (name HD1# or name HD2#)) 1.8 0.0 4.2


!assign (residue 74 and name HN) (residue 75 and name HN) 1.8 0.0 4.2

assign (residue 74 and name HN) (residue 75 and name HA) 1.8 0.0 4.2


!assign (residue 74 and name HN) (residue 81 and name HA) 1.8 0.0 4.2


!assign (residue 74 and name HN) (residue 82 and name HN) 1.8 0.0 1.7


assign (residue 74 and name HN) (residue 83 and name HA) 1.8 0.0 5.2


assign (residue 74 and name HA) (residue 75 and (name HB1 or name HB2)) 1.8 0.0 4.2


!Trp-75

!intra


assign (residue 75 and name HN) (residue 75 and name HA) 1.8 0.0 1.1

assign (residue 75 and name HN) (residue 75 and name HB2) 1.8 0.0 3.2
assign (residue 75 and name HN) (residue 75 and name HB1) 1.8 0.0 1.7

assign (residue 75 and name HN) (residue 75 and name HD1) 1.8 0.0 4.2


assign (residue 75 and name HA) (residue 75 and name HB1) 1.8 0.0 1.7
assign (residue 75 and name HA) (residue 75 and name HB2) 1.8 0.0 1.7

assign (residue 75 and name HA) (residue 75 and name HD1) 1.8 0.0 4.2


assign (residue 75 and name HB1) (residue 75 and name HD1) 1.8 0.0 4.2
assign (residue 75 and name HB2) (residue 75 and name HD1) 1.8 0.0 4.2


assign (residue 75 and name HE3) (residue 75 and name HA) 1.8 0.0 4.2


assign (residue 75 and name HZ3) (residue 75 and name HH2) 1.8 0.0 4.2


!inter


!!! assign (residue 75 and name HN) (residue 50 and name HN) 1.8 0.0 6.2


assign (residue 75 and name HN) (residue 53 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 75 and name HN) (residue 74 and name HN) 1.8 0.0 4.2

assign (residue 75 and name HN) (residue 74 and name HA) 1.8 0.0 1.1

assign (residue 75 and name HN) (residue 74 and name HB1) 1.8 0.0 4.2
assign (residue 75 and name HN) (residue 74 and name HB2) 1.8 0.0 3.2

assign (residue 75 and name HN) (residue 74 and name HG#) 1.8 0.0 1.7


!assign (residue 75 and name HN) (residue 76 and name HN) 1.8 0.0 4.2


!!! assign (residue 75 and name HA) (residue 22 and name HN) 1.8 0.0 6.2


assign (residue 75 and name HA) (residue 53 and (name HG1# or name HG2#)) 1.8 0.0 4.2


!assign (residue 75 and name HA) (residue 81 and name HA) 1.8 0.0 1.1


assign (residue 75 and name HB1) (residue 53 and (name HG1# or name HG2#)) 1.8 0.0 4.2
assign (residue 75 and name HB2) (residue 53 and (name HG1# or name HG2#)) 1.8 0.0 5.2


assign (residue 75 and name HZ3) (residue 54 and (name HA1 or name HA2)) 1.8 0.0 6.2


assign (residue 75 and name HZ3) (residue 74 and (name HB1 or name HB2)) 1.8 0.0 4.5


!Asp-76

!intra

assign (residue 76 and name HA) (residue 76 and name HN) 1.8 0.0 1.7

!assign (residue 76 and name HA) (residue 76 and name HA) 1.8 0.0 1.1

!assign (residue 76 and name HA) (residue 76 and name HB1) 1.8 0.0 1.1
!assign (residue 76 and name HA) (residue 76 and name HB2) 1.8 0.0 1.1


assign (residue 76 and name HB1) (residue 76 and name HA) 1.8 0.0 1.7
assign (residue 76 and name HB2) (residue 76 and name HA) 1.8 0.0 1.7


!inter


assign (residue 76 and name HN) (residue 75 and name HN) 1.8 0.0 4.2

assign (residue 76 and name HN) (residue 75 and name HA) 1.8 0.0 1.1

assign (residue 76 and name HN) (residue 75 and (name HB1 or name HB2)) 1.8 0.0 1.7


assign (residue 76 and name HN) (residue 80 and name HN) 1.8 0.0 4.2


assign (residue 76 and name HN) (residue 81 and name HA) 1.8 0.0 1.1


assign (residue 76 and name HA) (residue 75 and name HD1) 1.8 0.0 3.2


assign (residue 76 and name HB1) (residue 80 and name HB1) 1.8 0.0 1.7
assign (residue 76 and name HB1) (residue 80 and name HB2) 1.8 0.0 1.7



!Pro-77
!intra
!inter


!Pro-78

!intra


assign (residue 78 and name HA) (residue 78 and name HB1) 1.8 0.0 4.2
assign (residue 78 and name HA) (residue 78 and name HB2) 1.8 0.0 4.2

!inter

assign (residue 78 and name HA) (residue 21 and (name HB1 or name HB2)) 1.8 0.0 4.2


!His-79

!intra


assign (residue 79 and name HN) (residue 79 and name HA) 1.8 0.0 1.7

assign (residue 79 and name HN) (residue 79 and name HB1) 1.8 0.0 3.2
assign (residue 79 and name HN) (residue 79 and name HB2) 1.8 0.0 1.7

assign (residue 79 and name HN) (residue 79 and name HD2) 1.8 0.0 4.2


assign (residue 79 and name HA) (residue 79 and name HB1) 1.8 0.0 1.7
assign (residue 79 and name HA) (residue 79 and name HB2) 1.8 0.0 1.7


!assign (residue 79 and name HB1) (residue 79 and name HA) 1.8 0.0 4.2
!assign (residue 79 and name HB2) (residue 79 and name HA) 1.8 0.0 4.2

!assign (residue 79 and name HB1) (residue 79 and name HB2) 1.8 0.0 1.7
!assign (residue 79 and name HB2) (residue 79 and name HB1) 1.8 0.0 1.1


!inter

assign (residue 79 and name HN) (residue 18 and (name HG1# or name HG2#)) 1.8 0.0 4.2


!!! assign (residue 79 and name HN) (residue 19 and name HG#) 1.8 0.0 6.2


assign (residue 79 and name HN) (residue 21 and (name HB1 or name HB2)) 1.8 0.0 4.2


assign (residue 79 and name HN) (residue 22 and name HE#) 1.8 0.0 4.2


assign (residue 79 and name HN) (residue 78 and name HA) 1.8 0.0 1.1

assign (residue 79 and name HN) (residue 78 and name HB2) 1.8 0.0 4.2
assign (residue 79 and name HN) (residue 78 and name HB1) 1.8 0.0 4.2

assign (residue 79 and name HN) (residue 78 and name HG#) 1.8 0.0 4.2


!assign (residue 79 and name HN) (residue 80 and name HN) 1.8 0.0 1.1

assign (residue 79 and name HN) (residue 80 and name HA) 1.8 0.0 4.2


assign (residue 79 and name HN) (residue 107 and name HN) 1.8 0.0 4.2


assign (residue 79 and name HA) (residue 22 and name HD#) 1.8 0.0 5.2


assign (residue 79 and name HA) (residue 107 and name HB1) 1.8 0.0 4.2
assign (residue 79 and name HA) (residue 107 and name HB2) 1.8 0.0 4.2


!!! assign (residue 79 and name HD1) (residue 20 and (name HB1 or name HB2)) 1.8 0.0 6.2


!!! assign (residue 79 and name HD1) (residue 110 and (name HB2 or name HB1)) 1.8 0.0 5.2


!Arg-80

!intra


assign (residue 80 and name HN) (residue 80 and name HA) 1.8 0.0 4.2

assign (residue 80 and name HN) (residue 80 and name HB1) 1.8 0.0 1.7
assign (residue 80 and name HN) (residue 80 and name HB2) 1.8 0.0 1.7

assign (residue 80 and name HN) (residue 80 and name HG1) 1.8 0.0 4.2
assign (residue 80 and name HN) (residue 80 and name HG2) 1.8 0.0 4.2

assign (residue 80 and name HN) (residue 80 and name HD#) 1.8 0.0 4.2


assign (residue 80 and name HA) (residue 80 and name HB1) 1.8 0.0 4.2
assign (residue 80 and name HA) (residue 80 and name HB2) 1.8 0.0 4.2

assign (residue 80 and name HA) (residue 80 and name HG1) 1.8 0.0 4.2
assign (residue 80 and name HA) (residue 80 and name HG2) 1.8 0.0 4.2

assign (residue 80 and name HA) (residue 80 and name HD#) 1.8 0.0 4.2


!assign (residue 80 and name HB1) (residue 80 and name HA) 1.8 0.0 4.2
!assign (residue 80 and name HB2) (residue 80 and name HA) 1.8 0.0 4.2

assign (residue 80 and name HB1) (residue 80 and name HD#) 1.8 0.0 4.2
assign (residue 80 and name HB2) (residue 80 and name HD#) 1.8 0.0 1.7


!inter


assign (residue 80 and name HN) (residue 21 and (name HB1 or name HB2)) 1.8 0.0 6.2


assign (residue 80 and name HN) (residue 76 and name HN) 1.8 0.0 4.2


assign (residue 80 and name HN) (residue 79 and name HN) 1.8 0.0 1.1

assign (residue 80 and name HN) (residue 79 and name HA) 1.8 0.0 4.2

assign (residue 80 and name HN) (residue 79 and (name HB1 or name HB2)) 1.8 0.0 1.7


!assign (residue 80 and name HN) (residue 81 and name HN) 1.8 0.0 4.2


assign (residue 80 and name HN) (residue 104 and (name HG1 or name HG2)) 1.8 0.0 6.2


assign (residue 80 and name HA) (residue 22 and name HD#) 1.8 0.0 5.2


!assign (residue 80 and name HA) (residue 81 and name HN) 1.8 0.0 1.7


!assign (residue 80 and name HA) (residue 106 and name HA) 1.8 0.0 1.7


!Leu-81

!intra


assign (residue 81 and name HN) (residue 81 and name HA) 1.8 0.0 4.2

assign (residue 81 and name HN) (residue 81 and name HB1) 1.8 0.0 1.7
assign (residue 81 and name HN) (residue 81 and name HB2) 1.8 0.0 4.2

assign (residue 81 and name HN) (residue 81 and name HG) 1.8 0.0 4.2

assign (residue 81 and name HN) (residue 81 and (name HD1# or name HD2#)) 1.8 0.0 4.2


assign (residue 81 and name HA) (residue 81 and name HB1) 1.8 0.0 1.7
assign (residue 81 and name HA) (residue 81 and name HB2) 1.8 0.0 1.7

assign (residue 81 and name HA) (residue 81 and name HD1#) 1.8 0.0 4.2


assign (residue 81 and name HB1) (residue 81 and name HD1#) 1.8 0.0 1.7
assign (residue 81 and name HB2) (residue 81 and name HD1#) 1.8 0.0 1.7
assign (residue 81 and name HB1) (residue 81 and name HD2#) 1.8 0.0 1.7
assign (residue 81 and name HB2) (residue 81 and name HD2#) 1.8 0.0 1.7


assign (residue 81 and name HD2#) (residue 81 and name HA) 1.8 0.0 3.2

assign (residue 81 and name HD2#) (residue 81 and name HG#) 1.8 0.0 1.1

assign (residue 81 and name HD2#) (residue 81 and name HD1#) 1.8 0.0 1.1

!inter


assign (residue 81 and name HN) (residue 22 and name HD#) 1.8 0.0 5.2

assign (residue 81 and name HN) (residue 79 and (name HB1 or name HB2)) 1.8 0.0 5.2


assign (residue 81 and name HN) (residue 80 and name HN) 1.8 0.0 4.2

assign (residue 81 and name HN) (residue 80 and name HA) 1.8 0.0 1.1

assign (residue 81 and name HN) (residue 80 and name HB1) 1.8 0.0 4.2
assign (residue 81 and name HN) (residue 80 and name HB2) 1.8 0.0 4.2

assign (residue 81 and name HN) (residue 80 and name HG1) 1.8 0.0 4.2
assign (residue 81 and name HN) (residue 80 and name HG2) 1.8 0.0 1.7

assign (residue 81 and name HN) (residue 80 and name HD#) 1.8 0.0 4.2


assign (residue 81 and name HN) (residue 82 and name HN) 1.8 0.0 4.2

assign (residue 81 and name HN) (residue 82 and name HA) 1.8 0.0 4.2


!assign (residue 81 and name HN) (residue 104 and name HA) 1.8 0.0 4.2


!assign (residue 81 and name HN) (residue 105 and name HN) 1.8 0.0 1.7

assign (residue 81 and name HN) (residue 105 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 81 and name HN) (residue 106 and name HA) 1.8 0.0 4.2


assign (residue 81 and name HA) (residue 75 and name HA) 1.8 0.0 1.7


assign (residue 81 and name HA) (residue 80 and name HA) 1.8 0.0 4.2


!assign (residue 81 and name HA) (residue 82 and name HN) 1.8 0.0 1.7


assign (residue 81 and name HB#) (residue 105 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 81 and name HD#) (residue 25 and name HD#) 1.8 0.0 1.7

assign (residue 81 and name HD#) (residue 25 and name HE#) 1.8 0.0 1.7


assign (residue 81 and name HD#) (residue 75 and name HD#) 1.8 0.0 3.2


assign (residue 81 and name HD#) (residue 105 and name HG1#) 1.8 0.0 1.7


assign (residue 81 and name HD#) (residue 106 and name HB#) 1.8 0.0 4.5


!Ala-82

!intra


assign (residue 82 and name HN) (residue 82 and name HA) 1.8 0.0 1.7

assign (residue 82 and name HN) (residue 82 and name HB#) 1.8 0.0 1.7


assign (residue 82 and name HA) (residue 82 and name HB#) 1.8 0.0 1.7


!assign (residue 82 and name HB#) (residue 82 and name HA) 1.8 0.0 1.1

!inter


!assign (residue 82 and name HN) (residue 73 and name HA) 1.8 0.0 6.2

assign (residue 82 and name HN) (residue 73 and name HG) 1.8 0.0 4.7


assign (residue 82 and name HN) (residue 74 and name HN) 1.8 0.0 4.2


assign (residue 82 and name HN) (residue 81 and name HA) 1.8 0.0 1.1

assign (residue 82 and name HN) (residue 81 and name HB2) 1.8 0.0 3.2
assign (residue 82 and name HN) (residue 81 and name HB1) 1.8 0.0 3.2

assign (residue 82 and name HN) (residue 81 and name HG) 1.8 0.0 1.7

assign (residue 82 and name HN) (residue 81 and name HD1#) 1.8 0.0 4.2
assign (residue 82 and name HN) (residue 81 and name HD2#) 1.8 0.0 4.2


!assign (residue 82 and name HN) (residue 83 and name HN) 1.8 0.0 4.2

assign (residue 82 and name HN) (residue 83 and name HA) 1.8 0.0 4.2


assign (residue 82 and name HA) (residue 74 and (name HB1 or name HB2)) 1.8 0.0 4.2


assign (residue 82 and name HA) (residue 81 and name HA) 1.8 0.0 4.2


!assign (residue 82 and name HA) (residue 83 and name HN) 1.8 0.0 1.7


!assign (residue 82 and name HA) (residue 104 and name HA) 1.8 0.0 1.7

assign (residue 82 and name HA) (residue 104 and name HG#) 1.8 0.0 4.2


assign (residue 82 and name HB#) (residue 73 and (name HB2 or name HB1)) 1.8 0.0 4.2


assign (residue 82 and name HB#) (residue 103 and name HN) 1.8 0.0 3.2


assign (residue 82 and name HB#) (residue 104 and name HA) 1.8 0.0 1.7

assign (residue 82 and name HB#) (residue 104 and name HG#) 1.8 0.0 3.2


assign (residue 82 and name HB#) (residue 105 and name HN) 1.8 0.0 4.2


!Met-83

!intra


assign (residue 83 and name HN) (residue 83 and name HA) 1.8 0.0 4.2

assign (residue 83 and name HN) (residue 83 and name HB1) 1.8 0.0 3.2
assign (residue 83 and name HN) (residue 83 and name HB2) 1.8 0.0 3.2


!assign (residue 83 and name HA) (residue 83 and name HN) 1.8 0.0 4.2

assign (residue 83 and name HA) (residue 83 and name HB1) 1.8 0.0 4.2
assign (residue 83 and name HA) (residue 83 and name HB2) 1.8 0.0 4.2


!inter


assign (residue 83 and name HN) (residue 73 and name HG) 1.8 0.0 4.2


assign (residue 83 and name HN) (residue 82 and name HN) 1.8 0.0 4.2

assign (residue 83 and name HN) (residue 82 and name HA) 1.8 0.0 1.1

assign (residue 83 and name HN) (residue 82 and name HB#) 1.8 0.0 1.7


!assign (residue 83 and name HN) (residue 84 and name HN) 1.8 0.0 4.2

assign (residue 83 and name HN) (residue 84 and name HA) 1.8 0.0 4.2


!assign (residue 83 and name HN) (residue 102 and name HA) 1.8 0.0 4.2


!assign (residue 83 and name HN) (residue 103 and name HN) 1.8 0.0 1.1

assign (residue 83 and name HN) (residue 103 and name HB) 1.8 0.0 4.2

assign (residue 83 and name HN) (residue 103 and name HG2#) 1.8 0.0 4.2


assign (residue 83 and name HN) (residue 104 and name HN) 1.8 0.0 4.2

assign (residue 83 and name HN) (residue 104 and name HA) 1.8 0.0 3.2



assign (residue 83 and name HA) (residue 73 and name HA) 1.8 0.0 4.2

!assign (residue 83 and name HA) (residue 84 and name HN) 1.8 0.0 4.2


assign (residue 83 and name HG#) (residue 103 and name HB) 1.8 0.0 3.2

assign (residue 83 and name HG#) (residue 103 and name HG2#) 1.8 0.0 3.2

assign (residue 83 and name HG#) (residue 103 and name HD1#) 1.8 0.0 3.2



!Thr-84

!intra


assign (residue 84 and name HN) (residue 84 and name HA) 1.8 0.0 4.2

assign (residue 84 and name HN) (residue 84 and name HB) 1.8 0.0 4.2

assign (residue 84 and name HN) (residue 84 and name HG2#) 1.8 0.0 3.2


assign (residue 84 and name HA) (residue 84 and name HB) 1.8 0.0 1.7

assign (residue 84 and name HA) (residue 84 and name HG2#) 1.8 0.0 1.7


!assign (residue 84 and name HB) (residue 84 and name HA) 1.8 0.0 1.7

assign (residue 84 and name HB) (residue 84 and name HG2#) 1.8 0.0 1.7


!inter

assign (residue 84 and name HN) (residue 69 and name HZ3) 1.8 0.0 4.5


!assign (residue 84 and name HN) (residue 71 and name HA) 1.8 0.0 4.2

assign (residue 84 and name HN) (residue 71 and name HB#) 1.8 0.0 4.2


assign (residue 84 and name HN) (residue 72 and name HN) 1.8 0.0 4.2

assign (residue 84 and name HN) (residue 72 and name HA) 1.8 0.0 4.2


assign (residue 84 and name HN) (residue 73 and (name HD1# or name HD2#)) 1.8 0.0 4.2


assign (residue 84 and name HN) (residue 83 and name HN) 1.8 0.0 4.2

assign (residue 84 and name HN) (residue 83 and name HA) 1.8 0.0 1.7

assign (residue 84 and name HN) (residue 83 and name HB1) 1.8 0.0 4.2
assign (residue 84 and name HN) (residue 83 and name HB2) 1.8 0.0 3.2


!assign (residue 84 and name HN) (residue 85 and name HN) 1.8 0.0 1.7

assign (residue 84 and name HN) (residue 85 and name HA) 1.8 0.0 4.2


assign (residue 84 and name HA) (residue 71 and name HN) 1.8 0.0 6.2


!assign (residue 84 and name HA) (residue 102 and name HA) 1.8 0.0 1.7

assign (residue 84 and name HA) (residue 102 and (name HB2 or name HB1)) 1.8 0.0 4.2


assign (residue 84 and name HB) (residue 100 and name HB#) 1.8 0.0 6.2


assign (residue 84 and name HB) (residue 102 and name HA) 1.8 0.0 4.2


!Trp-85

!intra


assign (residue 85 and name HN) (residue 85 and name HA) 1.8 0.0 4.2

assign (residue 85 and name HN) (residue 85 and name HB#) 1.8 0.0 4.2

assign (residue 85 and name HN) (residue 85 and name HD1) 1.8 0.0 4.2

assign (residue 85 and name HN) (residue 85 and name HE3) 1.8 0.0 4.2


!assign (residue 85 and name HA) (residue 85 and name HN) 1.8 0.0 4.2

assign (residue 85 and name HA) (residue 85 and name HB#) 1.8 0.0 4.2

assign (residue 85 and name HA) (residue 85 and name HE3) 1.8 0.0 4.2


!assign (residue 85 and name HE3) (residue 85 and name HA) 1.8 0.0 1.7

assign (residue 85 and name HE3) (residue 85 and name HZ3) 1.8 0.0 4.2




!inter

assign (residue 85 and name HN) (residue 69 and name HZ3) 1.8 0.0 5.2


assign (residue 85 and name HN) (residue 84 and name HN) 1.8 0.0 4.2

assign (residue 85 and name HN) (residue 84 and name HA) 1.8 0.0 1.7

assign (residue 85 and name HN) (residue 84 and name HB) 1.8 0.0 3.2

assign (residue 85 and name HN) (residue 84 and name HG2#) 1.8 0.0 3.2


assign (residue 85 and name HN) (residue 87 and name HN) 1.8 0.0 6.2


assign (residue 85 and name HA) (residue 86 and (name HG2 or name HG1)) 1.8 0.0 4.2


assign (residue 85 and name HA) (residue 101 and (name HB2 or name HB1)) 1.8 0.0 5.2


assign (residue 85 and name HA) (residue 103 and name HD1#) 1.8 0.0 4.2


!!!! assign (residue 85 and name HZ3) (residue 81 and name HD2#) 1.8 0.0 4.2


!Arg-86

!intra


assign (residue 86 and name HN) (residue 86 and name HA) 1.8 0.0 4.2

assign (residue 86 and name HN) (residue 86 and name HB#) 1.8 0.0 4.2

assign (residue 86 and name HN) (residue 86 and name HG#) 1.8 0.0 4.2


!inter


assign (residue 86 and name HN) (residue 85 and name HN) 1.8 0.0 4.2

assign (residue 86 and name HN) (residue 85 and name HA) 1.8 0.0 4.2

assign (residue 86 and name HN) (residue 85 and name HB#) 1.8 0.0 4.2


assign (residue 86 and name HN) (residue 87 and name HN) 1.8 0.0 4.2


!Ile-87


!intra

assign (residue 87 and name HN) (residue 87 and name HA) 1.8 0.0 3.2

assign (residue 87 and name HN) (residue 87 and name HG1#) 1.8 0.0 3.2
assign (residue 87 and name HN) (residue 87 and name HG2#) 1.8 0.0 3.2

assign (residue 87 and name HN) (residue 87 and name HD1#) 1.8 0.0 3.2


!inter

assign (residue 87 and name HN) (residue 86 and name HA) 1.8 0.0 1.7


assign (residue 87 and name HN) (residue 88 and name HN) 1.8 0.0 3.2


assign (residue 87 and name HN) (residue 100 and name HA) 1.8 0.0 3.2

assign (residue 87 and name HN) (residue 100 and name HB#) 1.8 0.0 3.2


!Asp-88

!intra


assign (residue 88 and name HN) (residue 88 and name HA) 1.8 0.0 1.7

assign (residue 88 and name HN) (residue 88 and name HB1) 1.8 0.0 4.2
assign (residue 88 and name HN) (residue 88 and name HB2) 1.8 0.0 4.2


assign (residue 88 and name HA) (residue 88 and (name HB2 or name HB1)) 1.8 0.0 1.7


assign (residue 88 and name HB1) (residue 88 and name HA) 1.8 0.0 1.7
!assign (residue 88 and name HB2) (residue 88 and name HA) 1.8 0.0 1.7


!assign (residue 88 and name HB1) (residue 88 and name HB2) 1.8 0.0 1.7
!assign (residue 88 and name HB2) (residue 88 and name HB1) 1.8 0.0 1.7


!inter

assign (residue 88 and name HN) (residue 87 and name HA) 1.8 0.0 4.2


assign (residue 88 and name HN) (residue 94 and name HN) 1.8 0.0 6.2


assign (residue 88 and name HN) (residue 138 and name HG) 1.8 0.0 8.2


!Gly-89

!intra

assign (residue 89 and name HN) (residue 89 and name HA#) 1.8 0.0 1.7


!assign (residue 89 and name HA#) (residue 89 and name HA#) 1.8 0.0 1.1


!inter

assign (residue 89 and name HN) (residue 88 and name HN) 1.8 0.0 4.2

assign (residue 89 and name HN) (residue 88 and name HA) 1.8 0.0 1.7

assign (residue 89 and name HN) (residue 88 and name HB1) 1.8 0.0 4.2
assign (residue 89 and name HN) (residue 88 and name HB2) 1.8 0.0 3.2


!assign (residue 89 and name HN) (residue 90 and name HN) 1.8 0.0 1.7


assign (residue 89 and name HN) (residue 134 and name HD1#) 1.8 0.0 4.2


!His-90

!intra

assign (residue 90 and name HN) (residue 90 and name HA) 1.8 0.0 1.7

assign (residue 90 and name HN) (residue 90 and name HB1) 1.8 0.0 1.7
assign (residue 90 and name HN) (residue 90 and name HB2) 1.8 0.0 1.1

assign (residue 90 and name HN) (residue 90 and name HD2) 1.8 0.0 4.2


assign (residue 90 and name HA) (residue 90 and name HB1) 1.8 0.0 1.7
assign (residue 90 and name HA) (residue 90 and name HB2) 1.8 0.0 1.1


!assign (residue 90 and name HB1) (residue 90 and name HA) 1.8 0.0 1.7
!assign (residue 90 and name HB2) (residue 90 and name HA) 1.8 0.0 1.7

!assign (residue 90 and name HB1) (residue 90 and name HB2) 1.8 0.0 1.1
!assign (residue 90 and name HB2) (residue 90 and name HB1) 1.8 0.0 1.1


assign (residue 90 and name HD2) (residue 90 and name HA) 1.8 0.0 4.2

assign (residue 90 and name HD2) (residue 90 and name HB1) 1.8 0.0 1.7
assign (residue 90 and name HD2) (residue 90 and name HB2) 1.8 0.0 1.7


!inter

assign (residue 90 and name HN) (residue 88 and (name HB1 or name HB2)) 1.8 0.0 4.2


assign (residue 90 and name HN) (residue 89 and name HA#) 1.8 0.0 1.7

assign (residue 90 and name HN) (residue 89 and name HN) 1.8 0.0 1.7


!assign (residue 90 and name HN) (residue 91 and name HN) 1.8 0.0 1.1

assign (residue 90 and name HN) (residue 91 and name HA) 1.8 0.0 3.2


!assign (residue 90 and name HA) (residue 91 and name HD1) 1.8 0.0 1.7


assign (residue 90 and (name HB1 or name HB2)) (residue 136 and (name HB2 or name HB1)) 1.8 0.0 8.2


!Trp-91

!intra


assign (residue 91 and name HN) (residue 91 and name HA) 1.8 0.0 1.7

assign (residue 91 and name HN) (residue 91 and name HB#) 1.8 0.0 4.2

assign (residue 91 and name HN) (residue 91 and name HD1) 1.8 0.0 4.2

assign (residue 91 and name HN) (residue 91 and name HE3) 1.8 0.0 4.2


!assign (residue 91 and name HA) (residue 91 and name HB#) 1.8 0.0 1.7

assign (residue 91 and name HA) (residue 91 and name HD1) 1.8 0.0 4.2

assign (residue 91 and name HA) (residue 91 and name HE3) 1.8 0.0 4.2


assign (residue 91 and name HB1) (residue 91 and name HA) 1.8 0.0 1.7
assign (residue 91 and name HB2) (residue 91 and name HA) 1.8 0.0 1.7

!assign (residue 91 and name HB1) (residue 91 and name HB2) 1.8 0.0 1.7
!assign (residue 91 and name HB2) (residue 91 and name HB1) 1.8 0.0 1.7

assign (residue 91 and name HB1) (residue 91 and name HD1) 1.8 0.0 4.2
assign (residue 91 and name HB2) (residue 91 and name HD1) 1.8 0.0 4.2

assign (residue 91 and name HB1) (residue 91 and name HE3) 1.8 0.0 4.2
assign (residue 91 and name HB2) (residue 91 and name HE3) 1.8 0.0 4.2


!assign (residue 91 and name HD1) (residue 91 and name HB2) 1.8 0.0 1.7
!assign (residue 91 and name HD1) (residue 91 and name HB1) 1.8 0.0 1.7


!assign (residue 91 and name HE3) (residue 91 and name HB2) 1.8 0.0 4.2

assign (residue 91 and name HE3) (residue 91 and name HZ3) 1.8 0.0 1.7


!assign (residue 91 and name HZ3) (residue 91 and name HE3) 1.8 0.0 4.2

assign (residue 91 and name HZ3) (residue 91 and name HH2) 1.8 0.0 4.2


!inter

assign (residue 91 and name HN) (residue 87 and name HG2#) 1.8 0.0 4.2


assign (residue 91 and name HN) (residue 90 and name HN) 1.8 0.0 1.1

assign (residue 91 and name HN) (residue 90 and name HA) 1.8 0.0 4.2

assign (residue 91 and name HN) (residue 90 and name HB1) 1.8 0.0 4.2
assign (residue 91 and name HN) (residue 90 and name HB2) 1.8 0.0 4.2

!assign (residue 91 and name HN) (residue 92 and name HN) 1.8 0.0 1.1


assign (residue 91 and name HN) (residue 134 and name HB) 1.8 0.0 4.2


assign (residue 91 and name HD1) (residue 90 and name HA) 1.8 0.0 1.7


!Gln-92

!intra


assign (residue 92 and name HN) (residue 92 and name HA) 1.8 0.0 4.2

assign (residue 92 and name HN) (residue 92 and name HB#) 1.8 0.0 4.2

assign (residue 92 and name HN) (residue 92 and name HG1) 1.8 0.0 3.2
assign (residue 92 and name HN) (residue 92 and name HG2) 1.8 0.0 4.2


assign (residue 92 and name HA) (residue 92 and name HB#) 1.8 0.0 1.7

assign (residue 92 and name HA) (residue 92 and name HG1) 1.8 0.0 1.7
assign (residue 92 and name HA) (residue 92 and name HG2) 1.8 0.0 1.7


!inter


assign (residue 92 and name HN) (residue 91 and name HN) 1.8 0.0 1.7

assign (residue 92 and name HN) (residue 91 and name HA) 1.8 0.0 4.2

assign (residue 92 and name HN) (residue 91 and name HB#) 1.8 0.0 4.2


assign (residue 92 and name HN) (residue 93 and name HN) 1.8 0.0 1.7


assign (residue 92 and name HA) (residue 87 and name HG1#) 1.8 0.0 4.2


assign (residue 92 and name HG1) (residue 90 and name HB1) 1.8 0.0 1.7
assign (residue 92 and name HG1) (residue 90 and name HB2) 1.8 0.0 1.7

assign (residue 92 and name HG2) (residue 90 and name HB1) 1.8 0.0 1.7
assign (residue 92 and name HG2) (residue 90 and name HB2) 1.8 0.0 1.7


!Ser-93

!intra


assign (residue 93 and name HN) (residue 93 and name HA) 1.8 0.0 4.2

assign (residue 93 and name HN) (residue 93 and name HB1) 1.8 0.0 1.7
assign (residue 93 and name HN) (residue 93 and name HB2) 1.8 0.0 3.2


assign (residue 93 and name HA) (residue 93 and name HB1) 1.8 0.0 4.2
assign (residue 93 and name HA) (residue 93 and name HB2) 1.8 0.0 4.2


!assign (residue 93 and name HB1) (residue 93 and name HA) 1.8 0.0 4.2
!assign (residue 93 and name HB2) (residue 93 and name HA) 1.8 0.0 1.7

!assign (residue 93 and name HB1) (residue 93 and name HB2) 1.8 0.0 1.1
!assign (residue 93 and name HB2) (residue 93 and name HB1) 1.8 0.0 1.7


!inter


assign (residue 93 and name HN) (residue 92 and name HA) 1.8 0.0 1.7

assign (residue 93 and name HN) (residue 92 and name HB#) 1.8 0.0 1.7

assign (residue 93 and name HN) (residue 92 and name HG1) 1.8 0.0 3.2
assign (residue 93 and name HN) (residue 92 and name HG2) 1.8 0.0 4.2


!assign (residue 93 and name HN) (residue 94 and name HN) 1.8 0.0 4.2


!!! assign (residue 93 and name HA) (residue 97 and name HA) 1.8 0.0 6.2


assign (residue 93 and (name HB1 or name HB2)) (residue 134 and (name HG11 or name HG12)) 1.8 0.0 6.2


!Val-94

!intra


assign (residue 94 and name HN) (residue 94 and name HA) 1.8 0.0 4.2

assign (residue 94 and name HN) (residue 94 and name HB) 1.8 0.0 4.2

assign (residue 94 and name HN) (residue 94 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 94 and name HA) (residue 94 and name HB) 1.8 0.0 1.7

assign (residue 94 and name HA) (residue 94 and (name HG1# or name HG2#)) 1.8 0.0 4.2


!assign (residue 94 and name HB) (residue 94 and name HA) 1.8 0.0 1.7

assign (residue 94 and name HB) (residue 94 and name HG1#) 1.8 0.0 1.1
assign (residue 94 and name HB) (residue 94 and name HG2#) 1.8 0.0 1.1


!inter


assign (residue 94 and name HN) (residue 93 and name HN) 1.8 0.0 4.2

assign (residue 94 and name HN) (residue 93 and name HA) 1.8 0.0 4.2

assign (residue 94 and name HN) (residue 93 and (name HB2 or name HB1)) 1.8 0.0 4.2


assign (residue 94 and name HB) (residue 93 and (name HB2 or name HB1)) 1.8 0.0 4.2


!Pro-95
!intra
!inter


!Asp-96

!intra


assign (residue 96 and name HN) (residue 96 and name HA) 1.8 0.0 1.7

assign (residue 96 and name HN) (residue 96 and name HB1) 1.8 0.0 4.2
assign (residue 96 and name HN) (residue 96 and name HB2) 1.8 0.0 4.2


assign (residue 96 and name HA) (residue 96 and name HB1) 1.8 0.0 1.1
assign (residue 96 and name HA) (residue 96 and name HB2) 1.8 0.0 1.1


!assign (residue 96 and name HB1) (residue 96 and name HA) 1.8 0.0 1.7
!assign (residue 96 and name HB2) (residue 96 and name HA) 1.8 0.0 1.7

!assign (residue 96 and name HB1) (residue 96 and name HB2) 1.8 0.0 1.1
!assign (residue 96 and name HB2) (residue 96 and name HB1) 1.8 0.0 1.1


!inter

assign (residue 96 and name HN) (residue 88 and name HA) 1.8 0.0 6.2


assign (residue 96 and name HN) (residue 94 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 96 and name HN) (residue 95 and name HA) 1.8 0.0 4.2

assign (residue 96 and name HN) (residue 95 and name HB#) 1.8 0.0 3.2

assign (residue 96 and name HN) (residue 95 and name HG#) 1.8 0.0 4.2

assign (residue 96 and name HN) (residue 95 and name HD#) 1.8 0.0 1.7


!assign (residue 96 and name HN) (residue 97 and name HN) 1.8 0.0 4.2






!Asp-97

!intra


assign (residue 97 and name HN) (residue 97 and name HA) 1.8 0.0 4.2

assign (residue 97 and name HN) (residue 97 and name HB1) 1.8 0.0 1.7

assign (residue 97 and name HN) (residue 97 and name HB2) 1.8 0.0 3.2


assign (residue 97 and name HA) (residue 97 and name HB1) 1.8 0.0 1.7
assign (residue 97 and name HA) (residue 97 and name HB2) 1.8 0.0 1.7


!assign (residue 97 and name HB1) (residue 97 and name HA) 1.8 0.0 1.7
!assign (residue 97 and name HB2) (residue 97 and name HA) 1.8 0.0 1.7

!assign (residue 97 and name HB1) (residue 97 and name HB2) 1.8 0.0 1.1
!assign (residue 97 and name HB2) (residue 97 and name HB1) 1.8 0.0 1.1


!inter


assign (residue 97 and name HN) (residue 96 and name HN) 1.8 0.0 4.2

assign (residue 97 and name HN) (residue 96 and name HA) 1.8 0.0 1.7

assign (residue 97 and name HN) (residue 96 and name HB1) 1.8 0.0 4.2
assign (residue 97 and name HN) (residue 96 and name HB2) 1.8 0.0 4.2


!assign (residue 97 and name HN) (residue 98 and name HN) 1.8 0.0 1.7


assign (residue 97 and name HA) (residue 100 and name HB#) 1.8 0.0 4.2



!Asp-98

!intra


assign (residue 98 and name HN) (residue 98 and name HA) 1.8 0.0 1.1

assign (residue 98 and name HN) (residue 98 and name HB1) 1.8 0.0 1.1
assign (residue 98 and name HN) (residue 98 and name HB2) 1.8 0.0 1.1


assign (residue 98 and name HA) (residue 98 and name HB1) 1.8 0.0 1.1
assign (residue 98 and name HA) (residue 98 and name HB2) 1.8 0.0 1.1


!assign (residue 98 and name HB1) (residue 98 and name HA) 1.8 0.0 1.1
!assign (residue 98 and name HB2) (residue 98 and name HA) 1.8 0.0 1.1

!assign (residue 98 and name HB1) (residue 98 and name HB2) 1.8 0.0 1.1
!assign (residue 98 and name HB2) (residue 98 and name HB1) 1.8 0.0 1.1


!inter

assign (residue 98 and name HN) (residue 88 and name HA) 1.8 0.0 6.2


assign (residue 98 and name HN) (residue 96 and name HA) 1.8 0.0 4.2


assign (residue 98 and name HN) (residue 97 and name HN) 1.8 0.0 3.2

assign (residue 98 and name HN) (residue 97 and name HA) 1.8 0.0 4.2

assign (residue 98 and name HN) (residue 97 and name HB1) 1.8 0.0 3.2
assign (residue 98 and name HN) (residue 97 and name HB2) 1.8 0.0 4.2


!assign (residue 98 and name HN) (residue 99 and name HN) 1.8 0.0 1.7

assign (residue 98 and name HN) (residue 99 and name HG#) 1.8 0.0 3.2


!assign (residue 98 and name HN) (residue 100 and name HN) 1.8 0.0 4.2


!!! assign (residue 98 and (name HB2 or name HB1)) (residue 3 and name HG#) 1.8 0.0 4.2


assign (residue 98 and (name HB2 or name HB1)) (residue 86 and (name HG1 or name HG2)) 1.8 0.0 4.2


!!! assign (residue 98 and (name HB2 or name HB1)) (residue 87 and name HB) 1.8 0.0 6.2

assign (residue 98 and name HB1) (residue 99 and name HG#) 1.8 0.0 4.2
assign (residue 98 and name HB2) (residue 99 and name HG#) 1.8 0.0 4.2



assign (residue 98 and (name HB2 or name HB1)) (residue 129 and name HA) 1.8 0.0 6.2


!Arg-99

!intra


assign (residue 99 and name HN) (residue 99 and name HA) 1.8 0.0 1.7

assign (residue 99 and name HN) (residue 99 and name HB1) 1.8 0.0 3.2
assign (residue 99 and name HN) (residue 99 and name HB2) 1.8 0.0 1.7

assign (residue 99 and name HN) (residue 99 and name HG#) 1.8 0.0 3.2

assign (residue 99 and name HN) (residue 99 and name HD#) 1.8 0.0 4.2


assign (residue 99 and name HA) (residue 99 and name HB1) 1.8 0.0 1.7
assign (residue 99 and name HA) (residue 99 and name HB2) 1.8 0.0 1.7

assign (residue 99 and name HA) (residue 99 and name HG#) 1.8 0.0 1.7

assign (residue 99 and name HA) (residue 99 and name HD#) 1.8 0.0 3.2



!assign (residue 99 and name HB1) (residue 99 and name HA) 1.8 0.0 1.7
!assign (residue 99 and name HB2) (residue 99 and name HA) 1.8 0.0 1.7

!assign (residue 99 and name HB1) (residue 99 and name HB2) 1.8 0.0 1.7
!assign (residue 99 and name HB2) (residue 99 and name HB1) 1.8 0.0 1.1

assign (residue 99 and name HB1) (residue 99 and name HD#) 1.8 0.0 1.7
assign (residue 99 and name HB2) (residue 99 and name HD#) 1.8 0.0 1.7


!inter


!!! assign (residue 99 and name HN) (residue 68 and name HN) 1.8 0.0 4.2


assign (residue 99 and name HN) (residue 97 and name HA) 1.8 0.0 4.2


assign (residue 99 and name HN) (residue 98 and name HN) 1.8 0.0 1.7

assign (residue 99 and name HN) (residue 98 and name HA) 1.8 0.0 1.7

assign (residue 99 and name HN) (residue 98 and name HB1) 1.8 0.0 1.7
assign (residue 99 and name HN) (residue 98 and name HB2) 1.8 0.0 1.7


!assign (residue 99 and name HN) (residue 100 and name HN) 1.8 0.0 1.7


!Ala-100

!intra


assign (residue 100 and name HN) (residue 100 and name HA) 1.8 0.0 1.1

assign (residue 100 and name HN) (residue 100 and name HB#) 1.8 0.0 1.1


assign (residue 100 and name HA) (residue 100 and name HB#) 1.8 0.0 1.1


!assign (residue 100 and name HB#) (residue 100 and name HA) 1.8 0.0 1.1


!inter


assign (residue 100 and name HN) (residue 94 and name HB) 1.8 0.0 5.2


assign (residue 100 and name HN) (residue 96 and name HN) 1.8 0.0 6.2


assign (residue 100 and name HN) (residue 97 and name HA) 1.8 0.0 3.2


assign (residue 100 and name HN) (residue 98 and name HN) 1.8 0.0 4.2

assign (residue 100 and name HN) (residue 98 and name HA) 1.8 0.0 4.2


assign (residue 100 and name HN) (residue 99 and name HN) 1.8 0.0 1.1

assign (residue 100 and name HN) (residue 99 and name HA) 1.8 0.0 1.7

assign (residue 100 and name HN) (residue 99 and name HB1) 1.8 0.0 3.2
assign (residue 100 and name HN) (residue 99 and name HB2) 1.8 0.0 4.2

assign (residue 100 and name HN) (residue 99 and name HG#) 1.8 0.0 4.2

assign (residue 100 and name HN) (residue 99 and name HD#) 1.8 0.0 4.2


!assign (residue 100 and name HN) (residue 101 and name HN) 1.8 0.0 1.1


assign (residue 100 and name HA) (residue 99 and name HN) 1.8 0.0 4.2


assign (residue 100 and name HA) (residue 124 and name HA) 1.8 0.0 6.2


assign (residue 100 and name HB#) (residue 84 and name HA) 1.8 0.0 4.2


assign (residue 100 and name HB#) (residue 85 and name HN) 1.8 0.0 3.2


assign (residue 100 and name HB#) (residue 86 and (name HD2 or name HD1)) 1.8 0.0 4.2


assign (residue 100 and name HB#) (residue 97 and (name HB1 or name HB2)) 1.8 0.0 3.2


assign (residue 100 and name HB#) (residue 102 and name HA) 1.8 0.0 4.2


assign (residue 100 and name HB#) (residue 103 and name HA) 1.8 0.0 7.2


assign (residue 100 and name HB#) (residue 124 and name HA) 1.8 0.0 6.2


!Ser-101

!intra


assign (residue 101 and name HN) (residue 101 and name HA) 1.8 0.0 4.2

assign (residue 101 and name HN) (residue 101 and name HB#) 1.8 0.0 1.7


assign (residue 101 and name HA) (residue 101 and name HB#) 1.8 0.0 1.7


!inter

assign (residue 101 and name HN) (residue 100 and name HN) 1.8 0.0 4.2

assign (residue 101 and name HN) (residue 100 and name HA) 1.8 0.0 1.7

assign (residue 101 and name HN) (residue 100 and name HB#) 1.8 0.0 4.2


!assign (residue 101 and name HN) (residue 102 and name HN) 1.8 0.0 4.2


assign (residue 101 and name HA) (residue 84 and name HG2#) 1.8 0.0 3.2


!Glu-102

!intra


assign (residue 102 and name HN) (residue 102 and name HA) 1.8 0.0 4.2

assign (residue 102 and name HN) (residue 102 and name HB1) 1.8 0.0 4.2
assign (residue 102 and name HN) (residue 102 and name HB2) 1.8 0.0 1.7

assign (residue 102 and name HN) (residue 102 and name HG1) 1.8 0.0 4.2
assign (residue 102 and name HN) (residue 102 and name HG2) 1.8 0.0 4.2


assign (residue 102 and name HA) (residue 102 and name HB1) 1.8 0.0 1.7
assign (residue 102 and name HA) (residue 102 and name HB2) 1.8 0.0 1.7

assign (residue 102 and name HA) (residue 102 and name HG1) 1.8 0.0 4.2
assign (residue 102 and name HA) (residue 102 and name HG2) 1.8 0.0 4.2


!inter

assign (residue 102 and name HN) (residue 86 and name HA) 1.8 0.0 9.2


assign (residue 102 and name HN) (residue 101 and name HN) 1.8 0.0 4.2

assign (residue 102 and name HN) (residue 101 and name HA) 1.8 0.0 1.7

assign (residue 102 and name HN) (residue 101 and name HB#) 1.8 0.0 3.2


!assign (residue 102 and name HN) (residue 103 and name HN) 1.8 0.0 4.2


assign (residue 102 and name HN) (residue 122 and name HA) 1.8 0.0 6.2


assign (residue 102 and name HN) (residue 123 and name HN) 1.8 0.0 6.2


!!! assign (residue 102 and name HN) (residue 124 and (name HD1# or name HD2#)) 1.8 0.0 6.2


!assign (residue 102 and name HA) (residue 83 and name HN) 1.8 0.0 4.2


assign (residue 102 and name HA) (residue 84 and name HA) 1.8 0.0 1.7



!Ile-103

!intra


assign (residue 103 and name HN) (residue 103 and name HA) 1.8 0.0 4.2

assign (residue 103 and name HN) (residue 103 and name HB) 1.8 0.0 1.7

assign (residue 103 and name HN) (residue 103 and name HG2#) 1.8 0.0 4.2
assign (residue 103 and name HN) (residue 103 and name HD1#) 1.8 0.0 4.2


assign (residue 103 and name HA) (residue 103 and name HB) 1.8 0.0 4.2

assign (residue 103 and name HA) (residue 103 and name HG2#) 1.8 0.0 1.7

assign (residue 103 and name HA) (residue 103 and name HD1#) 1.8 0.0 4.2

assign (residue 103 and name HB) (residue 103 and name HG2#) 1.8 0.0 1.7

assign (residue 103 and name HB) (residue 103 and name HD1#) 1.8 0.0 1.7



assign (residue 103 and name HD1#) (residue 103 and name HG1#) 1.8 0.0 1.7

assign (residue 103 and name HD1#) (residue 103 and name HG2#) 1.8 0.0 1.7


!inter


!assign (residue 103 and name HN) (residue 82 and name HA) 1.8 0.0 4.2


assign (residue 103 and name HN) (residue 83 and name HN) 1.8 0.0 3.2

assign (residue 103 and name HN) (residue 83 and (name HB2 or name HB1)) 1.8 0.0 4.2


assign (residue 103 and name HN) (residue 84 and name HA) 1.8 0.0 4.2


assign (residue 103 and name HN) (residue 102 and name HN) 1.8 0.0 4.2

assign (residue 103 and name HN) (residue 102 and name HA) 1.8 0.0 1.7

assign (residue 103 and name HN) (residue 102 and name HB1) 1.8 0.0 4.2
assign (residue 103 and name HN) (residue 102 and name HB2) 1.8 0.0 4.2

assign (residue 103 and name HN) (residue 102 and name HG1) 1.8 0.0 3.2
assign (residue 103 and name HN) (residue 102 and name HG2) 1.8 0.0 4.2


!assign (residue 103 and name HN) (residue 104 and name HN) 1.8 0.0 4.2

assign (residue 103 and name HN) (residue 104 and name HA) 1.8 0.0 4.2


!assign (residue 103 and name HA) (residue 104 and name HN) 1.8 0.0 1.7


!!! assign (residue 103 and name HA) (residue 118 and (name HB1 or name HB2)) 1.8 0.0 4.2


assign (residue 103 and name HA) (residue 121 and name HA) 1.8 0.0 1.7


assign (residue 103 and name HB) (residue 83 and (name HB2 or name HB1)) 1.8 0.0 4.2


assign (residue 103 and name HG2#) (residue 83 and name HN) 1.8 0.0 3.2

assign (residue 103 and name HG2#) (residue 83 and name HG#) 1.8 0.0 3.2


assign (residue 103 and name HG2#) (residue 102 and name HA) 1.8 0.0 3.5


assign (residue 103 and name HG2#) (residue 105 and name HG1#) 1.8 0.0 3.2


assign (residue 103 and name HG2#) (residue 119 and name HD2#) 1.8 0.0 3.2


assign (residue 103 and name HG2#) (residue 121 and name HA) 1.8 0.0 3.2


assign (residue 103 and name HG2#) (residue 122 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 103 and name HD1#) (residue 83 and name HN) 1.8 0.0 3.2

assign (residue 103 and name HD1#) (residue 83 and name HG#) 1.8 0.0 3.2


assign (residue 103 and name HD1#) (residue 85 and name HA) 1.8 0.0 4.2

assign (residue 103 and name HD1#) (residue 85 and name HB1) 1.8 0.0 4.2
assign (residue 103 and name HD1#) (residue 85 and name HB2) 1.8 0.0 4.2

assign (residue 103 and name HD1#) (residue 85 and name HD1) 1.8 0.0 4.2


!Glu-104

!intra


assign (residue 104 and name HN) (residue 104 and name HA) 1.8 0.0 1.7

assign (residue 104 and name HN) (residue 104 and name HB#) 1.8 0.0 1.7

assign (residue 104 and name HN) (residue 104 and name HG#) 1.8 0.0 4.2


assign (residue 104 and name HA) (residue 104 and name HB#) 1.8 0.0 1.7

assign (residue 104 and name HA) (residue 104 and name HG#) 1.8 0.0 1.7


!inter

!!! assign (residue 104 and name HN) (residue 84 and name HB) 1.8 0.0 4.2


assign (residue 104 and name HN) (residue 103 and name HN) 1.8 0.0 4.2

assign (residue 104 and name HN) (residue 103 and name HA) 1.8 0.0 1.1

assign (residue 104 and name HN) (residue 103 and name HB) 1.8 0.0 4.2

assign (residue 104 and name HN) (residue 103 and name HG2#) 1.8 0.0 4.2

assign (residue 104 and name HN) (residue 103 and name HD1#) 1.8 0.0 4.2


assign (residue 104 and name HN) (residue 105 and name HA) 1.8 0.0 4.2


!assign (residue 104 and name HN) (residue 119 and name HA) 1.8 0.0 1.7


!assign (residue 104 and name HN) (residue 120 and name HN) 1.8 0.0 4.2

assign (residue 104 and name HN) (residue 120 and name HA) 1.8 0.0 4.2

assign (residue 104 and name HN) (residue 120 and name HB#) 1.8 0.0 3.2


assign (residue 104 and name HN) (residue 122 and name HA) 1.8 0.0 6.2

assign (residue 104 and name HN) (residue 122 and (name HG1# or name HG2#)) 1.8 0.0 4.2


!assign (residue 104 and name HA) (residue 81 and name HN) 1.8 0.0 4.2


assign (residue 104 and name HA) (residue 82 and name HA) 1.8 0.0 1.7



!Val-105

!intra


assign (residue 105 and name HN) (residue 105 and name HA) 1.8 0.0 1.1

assign (residue 105 and name HN) (residue 105 and name HB) 1.8 0.0 3.2

assign (residue 105 and name HN) (residue 105 and name HG1#) 1.8 0.0 3.2
assign (residue 105 and name HN) (residue 105 and name HG2#) 1.8 0.0 4.2


assign (residue 105 and name HA) (residue 105 and name HG1#) 1.8 0.0 1.7
assign (residue 105 and name HA) (residue 105 and name HG2#) 1.8 0.0 1.7


assign (residue 105 and name HB) (residue 105 and name HA) 1.8 0.0 1.7

assign (residue 105 and name HB) (residue 105 and name HG1#) 1.8 0.0 1.7
assign (residue 105 and name HB) (residue 105 and name HG2#) 1.8 0.0 1.7


assign (residue 105 and name HG2#) (residue 105 and name HN) 1.8 0.0 3.2

assign (residue 105 and name HG2#) (residue 105 and name HG1#) 1.8 0.0 1.1




!inter


!assign (residue 105 and name HN) (residue 80 and name HA) 1.8 0.0 4.2


assign (residue 105 and name HN) (residue 81 and name HN) 1.8 0.0 3.2


assign (residue 105 and name HN) (residue 82 and name HA) 1.8 0.0 1.7


assign (residue 105 and name HN) (residue 83 and name HN) 1.8 0.0 4.2


assign (residue 105 and name HN) (residue 104 and name HN) 1.8 0.0 4.2

assign (residue 105 and name HN) (residue 104 and name HA) 1.8 0.0 1.1

assign (residue 105 and name HN) (residue 104 and name HB#) 1.8 0.0 3.2

assign (residue 105 and name HN) (residue 104 and name HG#) 1.8 0.0 1.7


!assign (residue 105 and name HN) (residue 106 and name HN) 1.8 0.0 4.2

assign (residue 105 and name HN) (residue 106 and name HA) 1.8 0.0 4.2


!!! assign (residue 105 and name HN) (residue 116 and (name HB1 or name HB2)) 1.8 0.0 4.2


!assign (residue 105 and name HA) (residue 106 and name HN) 1.8 0.0 4.2


assign (residue 105 and name HB) (residue 25 and name HE#) 1.8 0.0 6.2


assign (residue 105 and name HG2#) (residue 22 and name HE#) 1.8 0.0 3.2


assign (residue 105 and name HG2#) (residue 25 and name HE#) 1.8 0.0 3.2


assign (residue 105 and name HG2#) (residue 103 and name HD1#) 1.8 0.0 3.2


assign (residue 105 and name HG2#) (residue 119 and name HD2#) 1.8 0.0 3.2


!Asp-106

!intra


assign (residue 106 and name HN) (residue 106 and name HA) 1.8 0.0 4.2

assign (residue 106 and name HN) (residue 106 and name HB1) 1.8 0.0 3.2
assign (residue 106 and name HN) (residue 106 and name HB2) 1.8 0.0 3.2


assign (residue 106 and name HA) (residue 106 and name HB1) 1.8 0.0 1.7
assign (residue 106 and name HA) (residue 106 and name HB2) 1.8 0.0 1.7


!assign (residue 106 and name HB1) (residue 106 and name HA) 1.8 0.0 4.2
!assign (residue 106 and name HB2) (residue 106 and name HA) 1.8 0.0 4.2

!assign (residue 106 and name HB1) (residue 106 and name HB2) 1.8 0.0 1.7
!assign (residue 106 and name HB2) (residue 106 and name HB1) 1.8 0.0 1.7


!inter

assign (residue 106 and name HN) (residue 105 and name HN) 1.8 0.0 4.2

assign (residue 106 and name HN) (residue 105 and name HA) 1.8 0.0 1.1

assign (residue 106 and name HN) (residue 105 and name HB) 1.8 0.0 4.2

assign (residue 106 and name HN) (residue 105 and name HG1#) 1.8 0.0 3.2
assign (residue 106 and name HN) (residue 105 and name HG2#) 1.8 0.0 3.2


!assign (residue 106 and name HN) (residue 107 and name HN) 1.8 0.0 1.7

!assign (residue 106 and name HN) (residue 107 and name HA) 1.8 0.0 4.2


!assign (residue 106 and name HN) (residue 117 and name HA) 1.8 0.0 4.2

assign (residue 106 and name HN) (residue 117 and (name HG1# or name HG2#)) 1.8 0.0 4.2


!assign (residue 106 and name HN) (residue 118 and name HN) 1.8 0.0 1.7

assign (residue 106 and name HN) (residue 118 and (name HB1 or name HB2)) 1.8 0.0 4.2


assign (residue 106 and name HN) (residue 119 and name HA) 1.8 0.0 4.2


assign (residue 106 and name HN) (residue 120 and name HN) 1.8 0.0 4.2


assign (residue 106 and name HA) (residue 22 and name HD#) 1.8 0.0 4.5


assign (residue 106 and name HA) (residue 80 and name HA) 1.8 0.0 4.2

assign (residue 106 and name HA) (residue 107 and name HA) 1.8 0.0 4.2

assign (residue 106 and name HA) (residue 108 and (name HG1# or name HG2#)) 1.8 0.0 4.2

assign (residue 106 and name HA) (residue 118 and name HN) 1.8 0.0 4.2


assign (residue 106 and name HB2) (residue 117 and (name HG1# or name HG2#)) 1.8 0.0 3.2
assign (residue 106 and name HB1) (residue 117 and (name HG1# or name HG2#)) 1.8 0.0 4.2


!Phe-107

!intra


assign (residue 107 and name HN) (residue 107 and name HA) 1.8 0.0 4.2

assign (residue 107 and name HN) (residue 107 and name HB1) 1.8 0.0 4.2
assign (residue 107 and name HN) (residue 107 and name HB2) 1.8 0.0 1.7


assign (residue 107 and name HA) (residue 107 and name HB1) 1.8 0.0 4.2
assign (residue 107 and name HA) (residue 107 and name HB2) 1.8 0.0 4.2



!inter

assign (residue 107 and name HN) (residue 22 and name HD#) 1.8 0.0 4.2

assign (residue 107 and name HN) (residue 22 and name HE#) 1.8 0.0 4.2


assign (residue 107 and name HN) (residue 80 and name HA) 1.8 0.0 4.2


assign (residue 107 and name HN) (residue 105 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 107 and name HN) (residue 106 and name HN) 1.8 0.0 4.2

assign (residue 107 and name HN) (residue 106 and name HA) 1.8 0.0 1.1

assign (residue 107 and name HN) (residue 106 and name HB1) 1.8 0.0 4.2
assign (residue 107 and name HN) (residue 106 and name HB2) 1.8 0.0 3.2


!assign (residue 107 and name HN) (residue 108 and name HN) 1.8 0.0 4.2

assign (residue 107 and name HN) (residue 108 and name HA) 1.8 0.0 4.2


assign (residue 107 and name HN) (residue 117 and name HG1#) 1.8 0.0 4.2


!!! assign (residue 107 and name HA) (residue 19 and name HN) 1.8 0.0 4.2


assign (residue 107 and name HA) (residue 115 and name HG2#) 1.8 0.0 3.2


!assign (residue 107 and name HA) (residue 117 and name HA) 1.8 0.0 4.2

assign (residue 107 and name HA) (residue 117 and name HG1#) 1.8 0.0 4.2


assign (residue 107 and (name HB2 or name HB1)) (residue 22 and name HD#) 1.8 0.0 4.2


!!! assign (residue 107 and (name HB2 or name HB1)) (residue 80 and name HD#) 1.8 0.0 6.2


assign (residue 107 and name HB2) (residue 108 and (name HG1# or name HG2#)) 1.8 0.0 4.2
assign (residue 107 and name HB1) (residue 108 and (name HG1# or name HG2#)) 1.8 0.0 4.2



!Val-108

!intra


assign (residue 108 and name HN) (residue 108 and name HA) 1.8 0.0 1.7

assign (residue 108 and name HN) (residue 108 and name HB) 1.8 0.0 3.2

assign (residue 108 and name HN) (residue 108 and (name HG1# or name HG2#)) 1.8 0.0 1.1


assign (residue 108 and name HA) (residue 108 and name HB) 1.8 0.0 1.7

assign (residue 108 and name HA) (residue 108 and (name HG1# or name HG2#)) 1.8 0.0 1.1


!assign (residue 108 and name HB) (residue 108 and name HA) 1.8 0.0 1.1

assign (residue 108 and name HB) (residue 108 and (name HG1# or name HG2#)) 1.8 0.0 1.1


!inter

assign (residue 108 and name HN) (residue 107 and name HN) 1.8 0.0 4.2

assign (residue 108 and name HN) (residue 107 and name HA) 1.8 0.0 1.1

assign (residue 108 and name HN) (residue 107 and name HB1) 1.8 0.0 4.2
assign (residue 108 and name HN) (residue 107 and name HB2) 1.8 0.0 4.2

assign (residue 108 and name HN) (residue 107 and name HD#) 1.8 0.0 4.2


!assign (residue 108 and name HN) (residue 115 and name HA) 1.8 0.0 1.7

assign (residue 108 and name HN) (residue 115 and name HG2#) 1.8 0.0 3.2


!assign (residue 108 and name HN) (residue 116 and name HN) 1.8 0.0 1.7

assign (residue 108 and name HN) (residue 116 and (name HB2 or name HB1)) 1.8 0.0 4.2


!assign (residue 108 and name HN) (residue 117 and name HA) 1.8 0.0 4.2


!!! assign (residue 108 and name HA) (residue 21 and name HA) 1.8 0.0 4.2


assign (residue 108 and name HG2#) (residue 109 and name HD#) 1.8 0.0 1.1


!Pro-109

!intra

assign (residue 109 and name HB1) (residue 109 and name HA) 1.8 0.0 1.1
assign (residue 109 and name HB2) (residue 109 and name HA) 1.8 0.0 1.1

assign (residue 109 and name HB1) (residue 109 and name HD1) 1.8 0.0 1.7
assign (residue 109 and name HB1) (residue 109 and name HD2) 1.8 0.0 3.2
assign (residue 109 and name HD1) (residue 109 and name HB2) 1.8 0.0 3.2
assign (residue 109 and name HD2) (residue 109 and name HB2) 1.8 0.0 3.2


assign (residue 109 and name HB2) (residue 109 and name HB1) 1.8 0.0 1.1


assign (residue 109 and name HG1) (residue 109 and name HB1) 1.8 0.0 1.1
assign (residue 109 and name HG2) (residue 109 and name HB1) 1.8 0.0 1.1
assign (residue 109 and name HG1) (residue 109 and name HB2) 1.8 0.0 1.1
assign (residue 109 and name HG2) (residue 109 and name HB2) 1.8 0.0 1.1


assign (residue 109 and name HG2) (residue 109 and name HG1) 1.8 0.0 1.1

assign (residue 109 and name HD1) (residue 109 and name HG1) 1.8 0.0 1.7
assign (residue 109 and name HD2) (residue 109 and name HG1) 1.8 0.0 1.7
assign (residue 109 and name HD1) (residue 109 and name HG2) 1.8 0.0 1.7
assign (residue 109 and name HD2) (residue 109 and name HG2) 1.8 0.0 1.7

assign (residue 109 and name HD2) (residue 109 and name HD1) 1.8 0.0 1.1


!inter

assign (residue 109 and name HB1) (residue 18 and name HG2#) 1.8 0.0 1.7
assign (residue 109 and name HB2) (residue 18 and name HG2#) 1.8 0.0 1.7


assign (residue 109 and name HG1) (residue 18 and name HG2#) 1.8 0.0 3.2
assign (residue 109 and name HG2) (residue 18 and name HG2#) 1.8 0.0 3.2


assign (residue 109 and name HG1) (residue 110 and name HA) 1.8 0.0 5.2
assign (residue 109 and name HG2) (residue 110 and name HA) 1.8 0.0 4.2


assign (residue 109 and name HD#) (residue 110 and name HA) 1.8 0.0 4.2


assign (residue 109 and name HD#) (residue 18 and name HG#) 1.8 0.0 4.2


assign (residue 109 and name HD#) (residue 110 and name HA) 1.8 0.0 4.2


!Asn-110

!intra


assign (residue 110 and name HN) (residue 110 and name HA) 1.8 0.0 1.1

assign (residue 110 and name HN) (residue 110 and name HB1) 1.8 0.0 1.7
assign (residue 110 and name HN) (residue 110 and name HB2) 1.8 0.0 1.7


assign (residue 110 and name HA) (residue 110 and name HB1) 1.8 0.0 1.1
assign (residue 110 and name HA) (residue 110 and name HB2) 1.8 0.0 1.1


!assign (residue 110 and name HB1) (residue 110 and name HA) 1.8 0.0 1.1
!assign (residue 110 and name HB2) (residue 110 and name HA) 1.8 0.0 1.7


!assign (residue 110 and name HB1) (residue 110 and name HB2) 1.8 0.0 1.1
!assign (residue 110 and name HB2) (residue 110 and name HB1) 1.8 0.0 1.1


!inter


assign (residue 110 and name HN) (residue 108 and name HN) 1.8 0.0 4.2

assign (residue 110 and name HN) (residue 108 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 110 and name HN) (residue 109 and name HA) 1.8 0.0 1.1

assign (residue 110 and name HN) (residue 109 and name HB1) 1.8 0.0 4.2
assign (residue 110 and name HN) (residue 109 and name HB2) 1.8 0.0 4.2

assign (residue 110 and name HN) (residue 109 and name HG#) 1.8 0.0 4.2


assign (residue 110 and name HN) (residue 111 and name HN) 1.8 0.0 4.2

assign (residue 110 and name HN) (residue 111 and (name HA2 or name HA1)) 1.8 0.0 4.2


!assign (residue 110 and name HN) (residue 114 and name HN) 1.8 0.0 4.2

assign (residue 110 and name HN) (residue 114 and (name HA1 or name HA2)) 1.8 0.0 4.2


!assign (residue 110 and name HN) (residue 116 and name HN) 1.8 0.0 1.7


!Gly-111


!intra

!inter

assign (residue 111 and name HN) (residue 13 and name HG1#) 1.8 0.0 4.2


assign (residue 111 and name HN) (residue 110 and name HA) 1.8 0.0 3.2

assign (residue 111 and name HN) (residue 110 and name HB2) 1.8 0.0 3.2
assign (residue 111 and name HN) (residue 110 and name HB1) 1.8 0.0 3.2


assign (residue 111 and name HN) (residue 112 and name HN) 1.8 0.0 3.2


!Ser-112

!intra
!inter


!Gly-113
!intra
!inter

!Gly-114

!intra


assign (residue 114 and name HN) (residue 114 and name HA1) 1.8 0.0 1.1
assign (residue 114 and name HN) (residue 114 and name HA2) 1.8 0.0 1.1


!assign (residue 114 and name HA1) (residue 114 and name HA2) 1.8 0.0 1.1


!assign (residue 114 and name HA2) (residue 114 and name HA1) 1.8 0.0 1.1


!inter

assign (residue 114 and name HN) (residue 15 and name HB#) 1.8 0.0 4.2


assign (residue 114 and name HN) (residue 16 and name HN) 1.8 0.0 4.2


assign (residue 114 and name HN) (residue 110 and name HN) 1.8 0.0 4.2

assign (residue 114 and name HN) (residue 110 and (name HB1 or name HB2)) 1.8 0.0 4.2


assign (residue 114 and name HN) (residue 111 and name HN) 1.8 0.0 4.2


assign (residue 114 and name HN) (residue 113 and name HN) 1.8 0.0 4.2

assign (residue 114 and name HN) (residue 113 and name HA1) 1.8 0.0 1.7
assign (residue 114 and name HN) (residue 113 and name HA2) 1.8 0.0 1.7


!assign (residue 114 and name HN) (residue 115 and name HN) 1.8 0.0 1.7

!assign (residue 114 and name HN) (residue 115 and name HA) 1.8 0.0 3.2


!assign (residue 114 and (name HA1 or name HA2)) (residue 14 and name HN) 1.8 0.0 4.2

assign (residue 114 and (name HA1 or name HA2)) (residue 14 and name HB) 1.8 0.0 4.2


assign (residue 114 and (name HA1 or name HA2)) (residue 15 and name HB#) 1.8 0.0 1.7

assign (residue 114 and (name HA2 or name HA1)) (residue 15 and name HA) 1.8 0.0 1.1

!Thr-115

!intra

assign (residue 115 and name HN) (residue 115 and name HA) 1.8 0.0 1.7

assign (residue 115 and name HN) (residue 115 and name HB) 1.8 0.0 1.7

assign (residue 115 and name HN) (residue 115 and name HG2#) 1.8 0.0 1.7


assign (residue 115 and name HA) (residue 115 and name HB) 1.8 0.0 1.7

assign (residue 115 and name HA) (residue 115 and name HG2#) 1.8 0.0 4.2


!assign (residue 115 and name HB) (residue 115 and name HA) 1.8 0.0 1.7

assign (residue 115 and name HB) (residue 115 and name HG2#) 1.8 0.0 1.1


!inter

!assign (residue 115 and name HN) (residue 13 and name HA) 1.8 0.0 4.2


assign (residue 115 and name HN) (residue 14 and name HN) 1.8 0.0 3.2

assign (residue 115 and name HN) (residue 14 and name HB) 1.8 0.0 4.2

assign (residue 115 and name HN) (residue 14 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 115 and name HN) (residue 15 and name HA) 1.8 0.0 3.2

assign (residue 115 and name HN) (residue 15 and name HB#) 1.8 0.0 4.2


assign (residue 115 and name HN) (residue 16 and name HN) 1.8 0.0 1.7



assign (residue 115 and name HN) (residue 107 and name HZ) 1.8 0.0 4.5


assign (residue 115 and name HN) (residue 109 and name HB#) 1.8 0.0 5.2


assign (residue 115 and name HN) (residue 114 and name HN) 1.8 0.0 4.2

assign (residue 115 and name HN) (residue 114 and name HA1) 1.8 0.0 1.7
assign (residue 115 and name HN) (residue 114 and name HA2) 1.8 0.0 1.7


!assign (residue 115 and name HN) (residue 116 and name HN) 1.8 0.0 4.2

!assign (residue 115 and name HN) (residue 116 and name HA) 1.8 0.0 4.2


assign (residue 115 and name HA) (residue 14 and (name HG1# or name HG2#)) 1.8 0.0 5.2


assign (residue 115 and name HA) (residue 109 and name HA) 1.8 0.0 3.2

assign (residue 115 and name HA) (residue 109 and name HB1) 1.8 0.0 5.2

assign (residue 115 and name HA) (residue 109 and name HB2) 1.8 0.0 4.2


!assign (residue 115 and name HA) (residue 116 and name HN) 1.8 0.0 4.2


assign (residue 115 and name HB) (residue 108 and (name HG1# or name HG2#)) 1.8 0.0 6.2



!Arg-116

!intra


assign (residue 116 and name HN) (residue 116 and name HA) 1.8 0.0 4.2

assign (residue 116 and name HN) (residue 116 and name HB1) 1.8 0.0 4.2
assign (residue 116 and name HN) (residue 116 and name HB2) 1.8 0.0 1.7

assign (residue 116 and name HN) (residue 116 and name HG#) 1.8 0.0 4.2


assign (residue 116 and name HA) (residue 116 and name HB1) 1.8 0.0 4.2
assign (residue 116 and name HA) (residue 116 and name HB2) 1.8 0.0 4.2

assign (residue 116 and name HA) (residue 116 and name HG#) 1.8 0.0 4.2


!assign (residue 116 and name HB1) (residue 116 and name HA) 1.8 0.0 4.2

!assign (residue 116 and name HB1) (residue 116 and name HB2) 1.8 0.0 1.1

assign (residue 116 and (name HB1 or name HB2)) (residue 116 and name HG#) 1.8 0.0 1.7


!inter


assign (residue 116 and name HN) (residue 13 and name HA) 1.8 0.0 4.2


assign (residue 116 and name HN) (residue 22 and name HZ) 1.8 0.0 6.2


!assign (residue 116 and name HN) (residue 107 and name HA) 1.8 0.0 4.2


assign (residue 116 and name HN) (residue 108 and name HN) 1.8 0.0 4.2


assign (residue 116 and name HN) (residue 109 and name HA) 1.8 0.0 3.2

assign (residue 116 and name HN) (residue 109 and name HG#) 1.8 0.0 6.2


assign (residue 116 and name HN) (residue 110 and name HN) 1.8 0.0 4.2

assign (residue 116 and name HN) (residue 110 and name HB1) 1.8 0.0 4.2
assign (residue 116 and name HN) (residue 110 and name HB2) 1.8 0.0 4.2


assign (residue 116 and name HN) (residue 115 and name HN) 1.8 0.0 4.2

assign (residue 116 and name HN) (residue 115 and name HA) 1.8 0.0 1.1

assign (residue 116 and name HN) (residue 115 and name HB) 1.8 0.0 4.2

assign (residue 116 and name HN) (residue 115 and name HG2#) 1.8 0.0 3.2


!assign (residue 116 and name HN) (residue 117 and name HN) 1.8 0.0 4.2

!assign (residue 116 and name HN) (residue 117 and name HA) 1.8 0.0 4.2

assign (residue 116 and name HN) (residue 117 and (name HG1# or name HG2#)) 1.8 0.0 3.2


assign (residue 116 and name HA) (residue 115 and name HN) 1.8 0.0 4.2


assign (residue 116 and name HA) (residue 117 and (name HG1# or name HG2#)) 1.8 0.0 1.7


assign (residue 116 and (name HB1 or name HB2)) (residue 117 and (name HG1# or name HG2#)) 1.8 0.0 3.2


!Val-117

!intra


assign (residue 117 and name HN) (residue 117 and name HA) 1.8 0.0 4.2

assign (residue 117 and name HN) (residue 117 and name HB) 1.8 0.0 1.7

assign (residue 117 and name HN) (residue 117 and name HG1#) 1.8 0.0 3.2
assign (residue 117 and name HN) (residue 117 and name HG2#) 1.8 0.0 4.2


assign (residue 117 and name HA) (residue 117 and name HB) 1.8 0.0 4.2

assign (residue 117 and name HA) (residue 117 and name HG1#) 1.8 0.0 1.7
assign (residue 117 and name HA) (residue 117 and name HG2#) 1.8 0.0 1.7


assign (residue 117 and name HB) (residue 117 and name HG1#) 1.8 0.0 1.1
assign (residue 117 and name HB) (residue 117 and name HG2#) 1.8 0.0 1.7


assign (residue 117 and name HG2#) (residue 117 and name HN) 1.8 0.0 3.2


assign (residue 117 and name HG2#) (residue 117 and name HG1#) 1.8 0.0 1.1


!inter


!assign (residue 117 and name HN) (residue 11 and name HA) 1.8 0.0 4.2


assign (residue 117 and name HN) (residue 12 and name HN) 1.8 0.0 3.2


assign (residue 117 and name HN) (residue 13 and name HA) 1.8 0.0 1.7


assign (residue 117 and name HN) (residue 108 and name HN) 1.8 0.0 4.2


assign (residue 117 and name HN) (residue 115 and name HA) 1.8 0.0 4.2


assign (residue 117 and name HN) (residue 116 and name HN) 1.8 0.0 4.2

assign (residue 117 and name HN) (residue 116 and name HA) 1.8 0.0 1.1

assign (residue 117 and name HN) (residue 116 and name HB1) 1.8 0.0 4.2
assign (residue 117 and name HN) (residue 116 and name HB2) 1.8 0.0 3.2

assign (residue 117 and name HN) (residue 116 and name HD#) 1.8 0.0 4.2

assign (residue 117 and name HN) (residue 116 and name HG#) 1.8 0.0 4.2


!assign (residue 117 and name HN) (residue 118 and name HN) 1.8 0.0 1.7

assign (residue 117 and name HN) (residue 118 and name HA) 1.8 0.0 4.2


assign (residue 117 and name HA) (residue 107 and name HA) 1.8 0.0 4.2


!assign (residue 117 and name HA) (residue 118 and name HN) 1.8 0.0 1.7


assign (residue 117 and name HG2#) (residue 105 and name HG1#) 1.8 0.0 3.2
assign (residue 117 and name HG2#) (residue 105 and name HG2#) 1.8 0.0 3.2


assign (residue 117 and name HG2#) (residue 107 and name HE#) 1.8 0.0 1.7

assign (residue 117 and name HG2#) (residue 107 and name HD#) 1.8 0.0 1.7


assign (residue 117 and name HG2#) (residue 118 and name HA) 1.8 0.0 1.7


assign (residue 117 and name HG2#) (residue 119 and name HD1#) 1.8 0.0 1.7


!Glu-118

!intra


assign (residue 118 and name HN) (residue 118 and name HA) 1.8 0.0 1.7

assign (residue 118 and name HN) (residue 118 and name HB1) 1.8 0.0 1.7
assign (residue 118 and name HN) (residue 118 and name HB2) 1.8 0.0 1.7

assign (residue 118 and name HN) (residue 118 and (name HG2 or name HG1)) 1.8 0.0 4.2


!inter


assign (residue 118 and name HN) (residue 11 and name HA) 1.8 0.0 5.2


!assign (residue 118 and name HN) (residue 105 and name HA) 1.8 0.0 3.2

assign (residue 118 and name HN) (residue 105 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 118 and name HN) (residue 106 and name HN) 1.8 0.0 1.7


assign (residue 118 and name HN) (residue 107 and name HA) 1.8 0.0 3.2


assign (residue 118 and name HN) (residue 117 and name HN) 1.8 0.0 4.2

assign (residue 118 and name HN) (residue 117 and name HA) 1.8 0.0 1.1

assign (residue 118 and name HN) (residue 117 and name HB) 1.8 0.0 3.2

assign (residue 118 and name HN) (residue 117 and name HG1#) 1.8 0.0 3.2
assign (residue 118 and name HN) (residue 117 and name HG2#) 1.8 0.0 3.2


!assign (residue 118 and name HN) (residue 119 and name HN) 1.8 0.0 1.1

!assign (residue 118 and name HN) (residue 119 and name HA) 1.8 0.0 1.7


!Leu-119

!intra


assign (residue 119 and name HN) (residue 119 and name HA) 1.8 0.0 1.1

assign (residue 119 and name HN) (residue 119 and name HB1) 1.8 0.0 1.7
assign (residue 119 and name HN) (residue 119 and name HB2) 1.8 0.0 1.7

assign (residue 119 and name HN) (residue 119 and name HG) 1.8 0.0 4.2

assign (residue 119 and name HN) (residue 119 and (name HD1# or name HD2#)) 1.8 0.0 4.2


assign (residue 119 and name HA) (residue 119 and name HB1) 1.8 0.0 1.7
assign (residue 119 and name HA) (residue 119 and name HB2) 1.8 0.0 1.7

assign (residue 119 and name HA) (residue 119 and name HG) 1.8 0.0 1.7

assign (residue 119 and name HA) (residue 119 and (name HD1# or name HD2#)) 1.8 0.0 4.2

assign (residue 119 and (name HB1 or name HB2)) (residue 119 and name HG) 1.8 0.0 4.2

assign (residue 119 and name HB1) (residue 119 and (name HD1# or name HD2#)) 1.8 0.0 1.7
assign (residue 119 and name HB2) (residue 119 and (name HD1# or name HD2#)) 1.8 0.0 1.7


!inter


!assign (residue 119 and name HN) (residue 9 and name HA) 1.8 0.0 4.2


assign (residue 119 and name HN) (residue 10 and name HN) 1.8 0.0 4.2


assign (residue 119 and name HN) (residue 11 and name HA) 1.8 0.0 1.7

assign (residue 119 and name HN) (residue 11 and name HB#) 1.8 0.0 4.2


assign (residue 119 and name HN) (residue 105 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 119 and name HN) (residue 117 and name HA) 1.8 0.0 4.2


assign (residue 119 and name HN) (residue 118 and name HN) 1.8 0.0 3.2

assign (residue 119 and name HN) (residue 118 and name HA) 1.8 0.0 1.1

assign (residue 119 and name HN) (residue 118 and name HB1) 1.8 0.0 4.2
assign (residue 119 and name HN) (residue 118 and name HB2) 1.8 0.0 3.2

assign (residue 119 and name HN) (residue 118 and name HG1) 1.8 0.0 1.7
assign (residue 119 and name HN) (residue 118 and name HG2) 1.8 0.0 4.2


!assign (residue 119 and name HN) (residue 120 and name HN) 1.8 0.0 4.2

assign (residue 119 and name HN) (residue 120 and name HA) 1.8 0.0 4.2


!assign (residue 119 and name HA) (residue 104 and name HN) 1.8 0.0 4.2


assign (residue 119 and name HA) (residue 105 and name HA) 1.8 0.0 1.1


!assign (residue 119 and name HA) (residue 118 and name HN) 1.8 0.0 4.2


assign (residue 119 and (name HB2 or name HB1)) (residue 104 and (name HG2 or name HG1)) 1.8 0.0 5.2


assign (residue 119 and name HD#) (residue 103 and name HG1#) 1.8 0.0 3.2

assign (residue 119 and name HD#) (residue 103 and name HD1#) 1.8 0.0 1.7


assign (residue 119 and name HD#) (residue 120 and name HA) 1.8 0.0 1.7


assign (residue 119 and name HD#) (residue 146 and name HA) 1.8 0.0 3.2


!Ala-120

!intra


assign (residue 120 and name HN) (residue 120 and name HA) 1.8 0.0 4.2

assign (residue 120 and name HN) (residue 120 and name HB#) 1.8 0.0 1.1


assign (residue 120 and name HA) (residue 120 and name HB#) 1.8 0.0 1.1


!assign (residue 120 and name HB#) (residue 120 and name HN) 1.8 0.0 1.7

!assign (residue 120 and name HB#) (residue 120 and name HA) 1.8 0.0 1.1


!inter


assign (residue 120 and name HN) (residue 9 and name HA) 1.8 0.0 6.2


assign (residue 120 and name HN) (residue 11 and name HA) 1.8 0.0 6.2


!assign (residue 120 and name HN) (residue 103 and name HA) 1.8 0.0 4.2


assign (residue 120 and name HN) (residue 104 and name HN) 1.8 0.0 1.7

assign (residue 120 and name HN) (residue 104 and name HB#) 1.8 0.0 4.2


assign (residue 120 and name HN) (residue 105 and name HA) 1.8 0.0 4.2

assign (residue 120 and name HN) (residue 105 and name HG1#) 1.8 0.0 4.2

assign (residue 120 and name HN) (residue 105 and name HG2#) 1.8 0.0 4.2


assign (residue 120 and name HN) (residue 119 and name HN) 1.8 0.0 4.2

assign (residue 120 and name HN) (residue 119 and name HA) 1.8 0.0 1.1

assign (residue 120 and name HN) (residue 119 and name HB1) 1.8 0.0 4.2
assign (residue 120 and name HN) (residue 119 and name HB2) 1.8 0.0 4.2

assign (residue 120 and name HN) (residue 119 and name HG) 1.8 0.0 1.7

assign (residue 120 and name HN) (residue 119 and (name HD1# or name HD2#)) 1.8 0.0 1.7


!assign (residue 120 and name HN) (residue 121 and name HN) 1.8 0.0 1.7

assign (residue 120 and name HN) (residue 121 and name HA) 1.8 0.0 3.2


assign (residue 120 and name HA) (residue 9 and name HA) 1.8 0.0 4.2


assign (residue 120 and name HA) (residue 104 and name HB#) 1.8 0.0 4.2


assign (residue 120 and name HA) (residue 119 and name HA) 1.8 0.0 4.2


!assign (residue 120 and name HA) (residue 121 and name HN) 1.8 0.0 4.2

assign (residue 120 and name HA) (residue 121 and name HB#) 1.8 0.0 4.2


assign (residue 120 and name HB#) (residue 9 and name HA) 1.8 0.0 3.2

assign (residue 120 and name HB#) (residue 9 and name HB#) 1.8 0.0 3.2

assign (residue 120 and name HB#) (residue 9 and name HD#) 1.8 0.0 4.2


assign (residue 120 and name HB#) (residue 104 and name HB#) 1.8 0.0 3.2


!assign (residue 120 and name HB#) (residue 121 and name HN) 1.8 0.0 1.7


assign (residue 120 and name HB#) (residue 122 and name HA) 1.8 0.0 4.2



!His-121

!intra


assign (residue 121 and name HN) (residue 121 and name HA) 1.8 0.0 4.2

assign (residue 121 and name HN) (residue 121 and name HB#) 1.8 0.0 4.2


!assign (residue 121 and name HA) (residue 121 and name HB#) 1.8 0.0 4.2


assign (residue 121 and name HB#) (residue 121 and name HA) 1.8 0.0 4.2

!assign (residue 121 and name HB1) (residue 121 and name HB2) 1.8 0.0 1.7
!assign (residue 121 and name HB2) (residue 121 and name HB1) 1.8 0.0 1.7


!inter


assign (residue 121 and name HN) (residue 9 and name HA) 1.8 0.0 4.2


assign (residue 121 and name HN) (residue 120 and name HN) 1.8 0.0 4.2

assign (residue 121 and name HN) (residue 120 and name HA) 1.8 0.0 1.7

assign (residue 121 and name HN) (residue 120 and name HB#) 1.8 0.0 1.7


!assign (residue 121 and name HN) (residue 122 and name HN) 1.8 0.0 4.2


!!! assign (residue 121 and name HN) (residue 132 and name HZ3) 1.8 0.0 4.2


assign (residue 121 and name HA) (residue 103 and name HA) 1.8 0.0 1.7

assign (residue 121 and name HA) (residue 103 and name HG2#) 1.8 0.0 4.2


!Val-122

!intra


assign (residue 122 and name HN) (residue 122 and name HA) 1.8 0.0 4.2

assign (residue 122 and name HN) (residue 122 and name HB) 1.8 0.0 4.2

assign (residue 122 and name HN) (residue 122 and (name HG1# or name HG2#)) 1.8 0.0 1.7


assign (residue 122 and name HA) (residue 122 and name HB) 1.8 0.0 1.7

assign (residue 122 and name HA) (residue 122 and (name HG1# or name HG2#)) 1.8 0.0 1.1


assign (residue 122 and name HB) (residue 122 and (name HG1# or name HG2#)) 1.8 0.0 1.1


!inter

assign (residue 122 and name HN) (residue 121 and name HN) 1.8 0.0 4.2

assign (residue 122 and name HN) (residue 121 and name HA) 1.8 0.0 1.7


!assign (residue 122 and name HN) (residue 123 and name HN) 1.8 0.0 1.7


assign (residue 122 and name HA) (residue 7 and name HA) 1.8 0.0 4.2


assign (residue 122 and name HA) (residue 123 and name HN) 1.8 0.0 4.2


assign (residue 122 and name HG1#) (residue 7 and name HA) 1.8 0.0 3.2
assign (residue 122 and name HG2#) (residue 7 and name HA) 1.8 0.0 4.2

assign (residue 122 and name HG#) (residue 7 and name HB1) 1.8 0.0 3.2
assign (residue 122 and name HG#) (residue 7 and name HB2) 1.8 0.0 3.2


assign (residue 122 and name HG#) (residue 120 and name HA) 1.8 0.0 3.2

assign (residue 122 and name HG#) (residue 120 and name HB#) 1.8 0.0 1.7





assign (residue 122 and name HG2#) (residue 102 and name HA) 1.8 0.0 4.5


assign (residue 122 and name HG2#) (residue 121 and name HA) 1.8 0.0 1.7


assign (residue 122 and name HG2#) (residue 123 and name HB1) 1.8 0.0 3.2
assign (residue 122 and name HG2#) (residue 123 and name HB2) 1.8 0.0 3.2

assign (residue 122 and name HG2#) (residue 123 and name HE1) 1.8 0.0 1.7


!Lys-123

!intra


assign (residue 123 and name HN) (residue 123 and name HA) 1.8 0.0 1.7

assign (residue 123 and name HN) (residue 123 and name HB1) 1.8 0.0 4.2
assign (residue 123 and name HN) (residue 123 and name HB2) 1.8 0.0 4.2

assign (residue 123 and name HN) (residue 123 and name HG#) 1.8 0.0 3.2


!inter


assign (residue 123 and name HN) (residue 122 and name HN) 1.8 0.0 3.2

assign (residue 123 and name HN) (residue 122 and name HA) 1.8 0.0 1.7

assign (residue 123 and name HN) (residue 122 and name HB) 1.8 0.0 1.7

assign (residue 123 and name HN) (residue 122 and (name HG1# or name HG2#)) 1.8 0.0 1.7


!assign (residue 123 and name HN) (residue 124 and name HN) 1.8 0.0 4.2


!Leu-124

!intra


assign (residue 124 and name HN) (residue 124 and name HA) 1.8 0.0 4.2

assign (residue 124 and name HN) (residue 124 and name HB1) 1.8 0.0 1.7
assign (residue 124 and name HN) (residue 124 and name HB2) 1.8 0.0 1.7

assign (residue 124 and name HN) (residue 124 and name HG) 1.8 0.0 3.2

assign (residue 124 and name HN) (residue 124 and (name HD1# or name HD2#)) 1.8 0.0 3.2


assign (residue 124 and name HA) (residue 124 and (name HB1 or name HB2)) 1.8 0.0 4.2

assign (residue 124 and name HA) (residue 124 and  name HD2#) 1.8 0.0 3.2
assign (residue 124 and name HD1#) (residue 124 and name HA) 1.8 0.0 3.2

assign (residue 124 and name HB1) (residue 124 and name HD1#) 1.8 0.0 1.7
assign (residue 124 and name HB1) (residue 124 and name HD2#) 1.8 0.0 1.7
assign (residue 124 and name HD1#) (residue 124 and name HB2) 1.8 0.0 1.7
assign (residue 124 and name HD2#) (residue 124 and name HB2) 1.8 0.0 1.7




assign (residue 124 and name HD#) (residue 124 and name HG) 1.8 0.0 1.7



!inter


assign (residue 124 and name HN) (residue 122 and name HA) 1.8 0.0 4.2


assign (residue 124 and name HN) (residue 123 and name HN) 1.8 0.0 4.2

assign (residue 124 and name HN) (residue 123 and name HA) 1.8 0.0 4.2

assign (residue 124 and name HN) (residue 123 and name HB1) 1.8 0.0 4.2
assign (residue 124 and name HN) (residue 123 and name HB2) 1.8 0.0 3.2

assign (residue 124 and name HN) (residue 123 and name HG#) 1.8 0.0 3.2


!assign (residue 124 and name HN) (residue 125 and name HN) 1.8 0.0 1.7


!assign (residue 124 and name HN) (residue 126 and name HN) 1.8 0.0 4.2


!assign (residue 124 and name HA) (residue 126 and name HN) 1.8 0.0 1.7


assign (residue 124 and name HD#) (residue 5 and name HG2#) 1.8 0.0 3.2


assign (residue 124 and name HD#) (residue 7 and name HA) 1.8 0.0 3.2


assign (residue 124 and name HD#) (residue 8 and name HG#) 1.8 0.0 4.2


assign (residue 124 and name HD#) (residue 101 and name HN) 1.8 0.0 3.2

assign (residue 124 and name HD#) (residue 101 and name HB#) 1.8 0.0 1.7


assign (residue 124 and name HD#) (residue 127 and name HB#) 1.8 0.0 3.2

assign (residue 124 and name HD#) (residue 127 and name HD#) 1.8 0.0 4.2


!His-125

!intra


assign (residue 125 and name HN) (residue 125 and name HA) 1.8 0.0 1.7

assign (residue 125 and name HN) (residue 125 and name HB1) 1.8 0.0 1.7
assign (residue 125 and name HN) (residue 125 and name HB2) 1.8 0.0 1.7

assign (residue 125 and name HN) (residue 125 and name HD2) 1.8 0.0 4.2


assign (residue 125 and name HA) (residue 125 and name HB1) 1.8 0.0 1.1
assign (residue 125 and name HA) (residue 125 and name HB2) 1.8 0.0 1.1


assign (residue 125 and name HD2) (residue 125 and name HA) 1.8 0.0 4.2

assign (residue 125 and name HD2) (residue 125 and name HE1) 1.8 0.0 3.2


!inter


assign (residue 125 and name HN) (residue 5 and name HG1#) 1.8 0.0 4.2

assign (residue 125 and name HN) (residue 5 and name HD1#) 1.8 0.0 6.2


assign (residue 125 and name HN) (residue 123 and name HA) 1.8 0.0 4.2


assign (residue 125 and name HN) (residue 124 and name HN) 1.8 0.0 1.7

assign (residue 125 and name HN) (residue 124 and name HA) 1.8 0.0 1.7

assign (residue 125 and name HN) (residue 124 and name HB1) 1.8 0.0 3.2
assign (residue 125 and name HN) (residue 124 and name HB2) 1.8 0.0 4.2

assign (residue 125 and name HN) (residue 124 and (name HD1# or name HD2#)) 1.8 0.0 4.2

assign (residue 125 and name HN) (residue 124 and name HG) 1.8 0.0 4.2


!assign (residue 125 and name HN) (residue 126 and name HN) 1.8 0.0 1.7


assign (residue 125 and name HA) (residue 5 and name HD1#) 1.8 0.0 6.2


assign (residue 125 and name HA) (residue 126 and (name HG2 or name HG1)) 1.8 0.0 4.2


!Arg-126

!intra


assign (residue 126 and name HN) (residue 126 and name HA) 1.8 0.0 1.7

assign (residue 126 and name HN) (residue 126 and name HB1) 1.8 0.0 1.1
assign (residue 126 and name HN) (residue 126 and name HB2) 1.8 0.0 1.7

assign (residue 126 and name HN) (residue 126 and name HG1) 1.8 0.0 4.2
assign (residue 126 and name HN) (residue 126 and name HG2) 1.8 0.0 1.7

assign (residue 126 and name HN) (residue 126 and name HD#) 1.8 0.0 4.2


assign (residue 126 and name HA) (residue 126 and name HB1) 1.8 0.0 1.1
assign (residue 126 and name HA) (residue 126 and name HB2) 1.8 0.0 1.7

assign (residue 126 and name HA) (residue 126 and name HG1) 1.8 0.0 3.2
assign (residue 126 and name HA) (residue 126 and name HG2) 1.8 0.0 3.2

assign (residue 126 and name HA) (residue 126 and name HD#) 1.8 0.0 3.2


!inter


!assign (residue 126 and name HN) (residue 6 and name HA) 1.8 0.0 8.2



assign (residue 126 and name HN) (residue 99 and name HN) 1.8 0.0 7.2


assign (residue 126 and name HN) (residue 100 and name HB#) 1.8 0.0 6.2


assign (residue 126 and name HN) (residue 101 and name HN) 1.8 0.0 6.2


assign (residue 126 and name HN) (residue 123 and name HN) 1.8 0.0 4.2


assign (residue 126 and name HN) (residue 124 and name HN) 1.8 0.0 4.2

assign (residue 126 and name HN) (residue 124 and name HA) 1.8 0.0 4.2


assign (residue 126 and name HN) (residue 125 and name HN) 1.8 0.0 1.7

assign (residue 126 and name HN) (residue 125 and name HA) 1.8 0.0 4.2

assign (residue 126 and name HN) (residue 125 and name HB1) 1.8 0.0 4.2
assign (residue 126 and name HN) (residue 125 and name HB2) 1.8 0.0 4.2

assign (residue 126 and name HN) (residue 125 and name HD2) 1.8 0.0 4.2


!assign (residue 126 and name HN) (residue 127 and name HN) 1.8 0.0 1.1

assign (residue 126 and name HN) (residue 127 and name HA) 1.8 0.0 4.2


!His-127

!intra


assign (residue 127 and name HN) (residue 127 and name HA) 1.8 0.0 1.7

assign (residue 127 and name HN) (residue 127 and name HB1) 1.8 0.0 1.7
assign (residue 127 and name HN) (residue 127 and name HB2) 1.8 0.0 1.7


assign (residue 127 and name HA) (residue 127 and name HB1) 1.8 0.0 1.7
assign (residue 127 and name HA) (residue 127 and name HB2) 1.8 0.0 1.7

assign (residue 127 and name HA) (residue 127 and name HD2) 1.8 0.0 4.2


!assign (residue 127 and name HB1) (residue 127 and name HA) 1.8 0.0 4.2
!assign (residue 127 and name HB2) (residue 127 and name HA) 1.8 0.0 4.2

!assign (residue 127 and name HB1) (residue 127 and name HB2) 1.8 0.0 1.7
!assign (residue 127 and name HB2) (residue 127 and name HB1) 1.8 0.0 1.7


!inter


!!! assign (residue 127 and name HN) (residue 88 and name HA) 1.8 0.0 4.2


assign (residue 127 and name HN) (residue 124 and name HA) 1.8 0.0 4.2


assign (residue 127 and name HN) (residue 125 and name HN) 1.8 0.0 4.2

assign (residue 127 and name HN) (residue 125 and name HA) 1.8 0.0 4.2


assign (residue 127 and name HN) (residue 126 and name HN) 1.8 0.0 1.1

assign (residue 127 and name HN) (residue 126 and name HA) 1.8 0.0 1.7

assign (residue 127 and name HN) (residue 126 and name HB1) 1.8 0.0 3.2
assign (residue 127 and name HN) (residue 126 and name HB2) 1.8 0.0 4.2

assign (residue 127 and name HN) (residue 126 and name HG1) 1.8 0.0 1.7
assign (residue 127 and name HN) (residue 126 and name HG2) 1.8 0.0 1.7


!assign (residue 127 and name HN) (residue 128 and name HN) 1.8 0.0 1.7


assign (residue 127 and name HA) (residue 126 and (name HG2 or name HG1)) 1.8 0.0 3.2


assign (residue 127 and name HB1) (residue 126 and name HA) 1.8 0.0 5.2
assign (residue 127 and name HB2) (residue 126 and name HA) 1.8 0.0 6.2

assign (residue 127 and name HB1) (residue 126 and (name HG2 or name HG1)) 1.8 0.0 4.2
assign (residue 127 and name HB2) (residue 126 and (name HG2 or name HG1)) 1.8 0.0 4.2


!Gly-128

!intra


assign (residue 128 and name HN) (residue 128 and name HA1) 1.8 0.0 1.1
assign (residue 128 and name HN) (residue 128 and name HA2) 1.8 0.0 1.1



!inter


!!! assign (residue 128 and name HN) (residue 4 and name HN) 1.8 0.0 4.2


!!! assign (residue 128 and name HN) (residue 88 and name HA) 1.8 0.0 6.2


assign (residue 128 and name HN) (residue 125 and name HN) 1.8 0.0 5.2


assign (residue 128 and name HN) (residue 126 and (name HG2 or name HG1)) 1.8 0.0 4.2


assign (residue 128 and name HN) (residue 127 and name HN) 1.8 0.0 1.1

assign (residue 128 and name HN) (residue 127 and name HA) 1.8 0.0 1.7

assign (residue 128 and name HN) (residue 127 and name HB1) 1.8 0.0 4.2
assign (residue 128 and name HN) (residue 127 and name HB2) 1.8 0.0 4.2


assign (residue 128 and name HN) (residue 129 and name HN) 1.8 0.0 4.2



!Asp-129

!intra


assign (residue 129 and name HN) (residue 129 and name HA) 1.8 0.0 4.2

assign (residue 129 and name HN) (residue 129 and name HB1) 1.8 0.0 4.2
assign (residue 129 and name HN) (residue 129 and name HB2) 1.8 0.0 4.2


!inter


!Gly-130

!intra


assign (residue 130 and name HN) (residue 130 and name HA1) 1.8 0.0 4.2
assign (residue 130 and name HN) (residue 130 and name HA2) 1.8 0.0 4.2

!inter


assign (residue 130 and name HN) (residue 88 and name HA) 1.8 0.0 6.2


assign (residue 130 and name HN) (residue 129 and name HA) 1.8 0.0 4.2

assign (residue 130 and name HN) (residue 129 and name HB#) 1.8 0.0 4.2


!assign (residue 130 and name HN) (residue 131 and name HN) 1.8 0.0 4.2

assign (residue 130 and name HN) (residue 131 and name HB#) 1.8 0.0 4.2


!Ala-131

!intra


assign (residue 131 and name HN) (residue 131 and name HA) 1.8 0.0 1.1

assign (residue 131 and name HN) (residue 131 and name HB#) 1.8 0.0 1.1


assign (residue 131 and name HA) (residue 131 and name HB#) 1.8 0.0 1.1


!assign (residue 131 and name HB#) (residue 131 and name HA) 1.8 0.0 1.1


!inter

assign (residue 131 and name HN) (residue 5 and name HD1#) 1.8 0.0 4.2


!!! assign (residue 131 and name HN) (residue 87 and name HA) 1.8 0.0 6.2


assign (residue 131 and name HN) (residue 88 and name HA) 1.8 0.0 4.2


assign (residue 131 and name HN) (residue 127 and name HD2) 1.8 0.0 4.2


assign (residue 131 and name HN) (residue 129 and name HA) 1.8 0.0 4.2

assign (residue 131 and name HN) (residue 129 and name HB#) 1.8 0.0 3.2


assign (residue 131 and name HN) (residue 130 and name HN) 1.8 0.0 1.7

assign (residue 131 and name HN) (residue 130 and name HA1) 1.8 0.0 1.7
assign (residue 131 and name HN) (residue 130 and name HA2) 1.8 0.0 1.7


!assign (residue 131 and name HN) (residue 132 and name HN) 1.8 0.0 1.7


assign (residue 131 and name HN) (residue 133 and (name HB1 or name HB2)) 1.8 0.0 6.2


assign (residue 131 and name HN) (residue 134 and name HD1#) 1.8 0.0 4.2


assign (residue 131 and name HA) (residue 127 and name HB1) 1.8 0.0 4.2
assign (residue 131 and name HA) (residue 127 and name HB2) 1.8 0.0 4.2


assign (residue 131 and name HA) (residue 134 and name HB) 1.8 0.0 4.2

assign (residue 131 and name HA) (residue 134 and name HD1#) 1.8 0.0 4.2


assign (residue 131 and name HB#) (residue 5 and name HG1#) 1.8 0.0 4.2
assign (residue 131 and name HB#) (residue 5 and name HG2#) 1.8 0.0 4.2

assign (residue 131 and name HB#) (residue 5 and name HD1#) 1.8 0.0 4.2


assign (residue 131 and name HB#) (residue 127 and name HD2) 1.8 0.0 4.2


assign (residue 131 and name HB#) (residue 128 and name HA#) 1.8 0.0 4.2


assign (residue 131 and name HB#) (residue 129 and name HB#) 1.8 0.0 5.2


assign (residue 131 and name HB#) (residue 132 and name HA) 1.8 0.0 4.2


assign (residue 131 and name HB#) (residue 134 and name HD1#) 1.8 0.0 4.2



!Trp-132

!intra


assign (residue 132 and name HN) (residue 132 and name HA) 1.8 0.0 1.7

assign (residue 132 and name HN) (residue 132 and name HB1) 1.8 0.0 1.7
assign (residue 132 and name HN) (residue 132 and name HB2) 1.8 0.0 1.7

assign (residue 132 and name HN) (residue 132 and name HD1) 1.8 0.0 4.2

assign (residue 132 and name HN) (residue 132 and name HE3) 1.8 0.0 4.2


assign (residue 132 and name HA) (residue 132 and name HB1) 1.8 0.0 1.7
assign (residue 132 and name HA) (residue 132 and name HB2) 1.8 0.0 1.7

assign (residue 132 and name HA) (residue 132 and name HD1) 1.8 0.0 4.2

assign (residue 132 and name HA) (residue 132 and name HE3) 1.8 0.0 4.2

assign (residue 132 and name HA) (residue 132 and name HZ3) 1.8 0.0 6.2


assign (residue 132 and name HB1) (residue 132 and name HD1) 1.8 0.0 4.2
assign (residue 132 and name HB2) (residue 132 and name HD1) 1.8 0.0 4.2

assign (residue 132 and (name HB2 or name HB1)) (residue 132 and name HE3) 1.8 0.0 4.2


assign (residue 132 and name HE3) (residue 132 and name HZ3) 1.8 0.0 4.2


assign (residue 132 and name HH2) (residue 132 and name HZ2) 1.8 0.0 1.7

assign (residue 132 and name HH2) (residue 132 and name HZ3) 1.8 0.0 1.7


assign (residue 132 and name HZ2) (residue 132 and name HZ3) 1.8 0.0 3.2


!assign (residue 132 and name HZ3) (residue 132 and name HE3) 1.8 0.0 1.7

!assign (residue 132 and name HZ3) (residue 132 and name HH2) 1.8 0.0 1.7


!inter


!!! assign (residue 132 and name HN) (residue 117 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (residue 132 and name HN) (residue 131 and name HN) 1.8 0.0 3.2

assign (residue 132 and name HN) (residue 131 and name HA) 1.8 0.0 4.2

assign (residue 132 and name HN) (residue 131 and name HB#) 1.8 0.0 1.7


!assign (residue 132 and name HN) (residue 133 and name HN) 1.8 0.0 1.1


!assign (residue 132 and name HN) (residue 134 and name HN) 1.8 0.0 4.2


!assign (residue 132 and name HA) (residue 135 and name HB1) 1.8 0.0 1.7
!assign (residue 132 and name HA) (residue 135 and name HB2) 1.8 0.0 1.1


assign (residue 132 and (name HB1 or name HB2)) (residue 135 and name HE1) 1.8 0.0 6.2


assign (residue 132 and name HD1) (residue 5 and name HD1#) 1.8 0.0 4.2


!!! assign (residue 132 and name HE3) (residue 126 and (name HB2 or name HB1)) 1.8 0.0 6.2


assign (residue 132 and name HE3) (residue 135 and (name HB1 or name HB2)) 1.8 0.0 6.2


assign (residue 132 and name HZ2) (residue 5 and name HA) 1.8 0.0 4.5

assign (residue 132 and name HZ2) (residue 5 and name HD1#) 1.8 0.0 3.2


!!! assign (residue 132 and name HZ2) (residue 86 and (name HG1 or name HG2)) 1.8 0.0 4.2


!!! assign (residue 132 and name HZ2) (residue 134 and name HG1#) 1.8 0.0 8.2


!!! assign (residue 132 and name HH2) (residue 86 and (name HB2 or name HB1)) 1.8 0.0 4.2


!!! assign (residue 132 and name HH2) (residue 96 and (name HB2 or name HB1)) 1.8 0.0 4.2


!Asn-133

!intra


assign (residue 133 and name HN) (residue 133 and name HA) 1.8 0.0 1.1

assign (residue 133 and name HN) (residue 133 and name HB1) 1.8 0.0 1.7
assign (residue 133 and name HN) (residue 133 and name HB2) 1.8 0.0 1.7


assign (residue 133 and name HB1) (residue 133 and name HA) 1.8 0.0 1.7
assign (residue 133 and name HB2) (residue 133 and name HA) 1.8 0.0 1.7


!inter


assign (residue 133 and name HN) (residue 88 and name HA) 1.8 0.0 7.2


assign (residue 133 and name HN) (residue 131 and name HN) 1.8 0.0 3.2

assign (residue 133 and name HN) (residue 131 and name HA) 1.8 0.0 4.2


assign (residue 133 and name HN) (residue 132 and name HN) 1.8 0.0 1.1

assign (residue 133 and name HN) (residue 132 and name HA) 1.8 0.0 1.7

assign (residue 133 and name HN) (residue 132 and name HB1) 1.8 0.0 3.2
assign (residue 133 and name HN) (residue 132 and name HB2) 1.8 0.0 1.7

!!! assign (residue 133 and name HN) (residue 132 and name HH2) 1.8 0.0 6.2


!assign (residue 133 and name HN) (residue 134 and name HN) 1.8 0.0 1.1

assign (residue 133 and name HN) (residue 134 and name HD1#) 1.8 0.0 4.2



!Ile-134

!intra


assign (residue 134 and name HN) (residue 134 and name HA) 1.8 0.0 1.7

assign (residue 134 and name HN) (residue 134 and name HB) 1.8 0.0 1.7

assign (residue 134 and name HN) (residue 134 and name HG1#) 1.8 0.0 3.2
assign (residue 134 and name HN) (residue 134 and name HG2#) 1.8 0.0 4.2

assign (residue 134 and name HN) (residue 134 and name HD1#) 1.8 0.0 4.2


assign (residue 134 and name HA) (residue 134 and name HB) 1.8 0.0 1.1

assign (residue 134 and name HA) (residue 134 and name HG1#) 1.8 0.0 1.7
assign (residue 134 and name HA) (residue 134 and name HG2#) 1.8 0.0 1.7

assign (residue 134 and name HA) (residue 134 and name HD1#) 1.8 0.0 3.2


!assign (residue 134 and name HB) (residue 134 and name HA) 1.8 0.0 1.7

assign (residue 134 and name HB) (residue 134 and name HG1#) 1.8 0.0 1.7
assign (residue 134 and name HB) (residue 134 and name HG2#) 1.8 0.0 4.2

assign (residue 134 and name HB) (residue 134 and name HD1#) 1.8 0.0 1.7


assign (residue 134 and name HD1#) (residue 134 and name HA) 1.8 0.0 1.1

assign (residue 134 and name HD1#) (residue 134 and name HB) 1.8 0.0 1.7

assign (residue 134 and name HD1#) (residue 134 and name HG11) 1.8 0.0 1.1
assign (residue 134 and name HD1#) (residue 134 and name HG12) 1.8 0.0 1.1

assign (residue 134 and name HD1#) (residue 134 and name HG2#) 1.8 0.0 3.2


!inter


!!! assign (residue 134 and name HN) (residue 5 and name HN) 1.8 0.0 4.2


assign (residue 134 and name HN) (residue 131 and name HN) 1.8 0.0 4.2

assign (residue 134 and name HN) (residue 131 and name HA) 1.8 0.0 4.2


assign (residue 134 and name HN) (residue 132 and name HN) 1.8 0.0 3.2

assign (residue 134 and name HN) (residue 132 and name HA) 1.8 0.0 4.2

assign (residue 134 and name HN) (residue 132 and (name HB2 or name HB1)) 1.8 0.0 6.2


assign (residue 134 and name HN) (residue 133 and name HN) 1.8 0.0 1.7

assign (residue 134 and name HN) (residue 133 and name HA) 1.8 0.0 4.2

assign (residue 134 and name HN) (residue 133 and name HB1) 1.8 0.0 1.7
assign (residue 134 and name HN) (residue 133 and name HB2) 1.8 0.0 4.2


!assign (residue 134 and name HN) (residue 135 and name HN) 1.8 0.0 1.7


assign (residue 134 and name HA) (residue 91 and name HZ3) 1.8 0.0 4.2

assign (residue 134 and name HA) (residue 91 and name HE3) 1.8 0.0 4.2


!assign (residue 134 and name HA) (residue 137 and name HB#) 1.8 0.0 1.1


assign (residue 134 and name HB) (residue 131 and name HB#) 1.8 0.0 6.2


assign (residue 134 and name HG2#) (residue 127 and name HD2) 1.8 0.0 4.2


assign (residue 134 and name HD1#) (residue 89 and name HA#) 1.8 0.0 1.7


assign (residue 134 and name HD1#) (residue 133 and name HB#) 1.8 0.0 3.2



!His-135

!intra


assign (residue 135 and name HN) (residue 135 and name HA) 1.8 0.0 1.7

assign (residue 135 and name HN) (residue 135 and name HB1) 1.8 0.0 1.7
assign (residue 135 and name HN) (residue 135 and name HB2) 1.8 0.0 1.7

assign (residue 135 and name HN) (residue 135 and name HD2) 1.8 0.0 4.2

assign (residue 135 and name HN) (residue 135 and name HE1) 1.8 0.0 6.2


assign (residue 135 and name HA) (residue 135 and name HB1) 1.8 0.0 1.7
assign (residue 135 and name HA) (residue 135 and name HB2) 1.8 0.0 1.1

assign (residue 135 and name HA) (residue 135 and name HD2) 1.8 0.0 4.2


assign (residue 135 and (name HB2 or name HB1)) (residue 135 and name HD2) 1.8 0.0 4.2

assign (residue 135 and (name HB2 or name HB1)) (residue 135 and name HE1) 1.8 0.0 4.2


!inter


assign (residue 135 and name HN) (residue 131 and name HA) 1.8 0.0 4.2


assign (residue 135 and name HN) (residue 132 and name HN) 1.8 0.0 6.2

assign (residue 135 and name HN) (residue 132 and name HA) 1.8 0.0 4.2


assign (residue 135 and name HN) (residue 133 and name HN) 1.8 0.0 4.2

assign (residue 135 and name HN) (residue 133 and name HA) 1.8 0.0 4.2


assign (residue 135 and name HN) (residue 134 and name HN) 1.8 0.0 1.7

assign (residue 135 and name HN) (residue 134 and name HA) 1.8 0.0 4.2

assign (residue 135 and name HN) (residue 134 and name HB) 1.8 0.0 1.7

assign (residue 135 and name HN) (residue 134 and name HG1#) 1.8 0.0 4.2
assign (residue 135 and name HN) (residue 134 and name HG2#) 1.8 0.0 4.2

assign (residue 135 and name HN) (residue 134 and name HD1#) 1.8 0.0 4.2


!assign (residue 135 and name HN) (residue 136 and name HN) 1.8 0.0 1.7


assign (residue 135 and name HN) (residue 138 and name HG) 1.8 0.0 4.2


assign (residue 135 and name HA) (residue 138 and name HG) 1.8 0.0 3.2

assign (residue 135 and name HA) (residue 138 and (name HD1# or name HD2#)) 1.8 0.0 3.2


assign (residue 135 and name HB1) (residue 132 and name HA) 1.8 0.0 4.2
assign (residue 135 and name HB2) (residue 132 and name HA) 1.8 0.0 4.2


assign (residue 135 and name HB1) (residue 138 and name HG) 1.8 0.0 4.2
assign (residue 135 and name HB2) (residue 138 and name HG) 1.8 0.0 4.2

assign (residue 135 and name HB1) (residue 138 and (name HD1# or name HD2#)) 1.8 0.0 4.2
assign (residue 135 and name HB2) (residue 138 and (name HD1# or name HD2#)) 1.8 0.0 4.2


!Lys-136

!intra


assign (residue 136 and name HN) (residue 136 and name HA) 1.8 0.0 1.7

assign (residue 136 and name HN) (residue 136 and name HB1) 1.8 0.0 1.7
assign (residue 136 and name HN) (residue 136 and name HB2) 1.8 0.0 1.7

assign (residue 136 and name HN) (residue 136 and name HG1) 1.8 0.0 3.2
assign (residue 136 and name HN) (residue 136 and name HG2) 1.8 0.0 3.2


assign (residue 136 and name HA) (residue 136 and name HB1) 1.8 0.0 1.1
assign (residue 136 and name HA) (residue 136 and name HB2) 1.8 0.0 1.1

assign (residue 136 and name HA) (residue 136 and name HG1) 1.8 0.0 1.7
assign (residue 136 and name HA) (residue 136 and name HG2) 1.8 0.0 1.7


!assign (residue 136 and name HB1) (residue 136 and name HA) 1.8 0.0 1.1
!assign (residue 136 and name HB2) (residue 136 and name HA) 1.8 0.0 1.1

!assign (residue 136 and name HB2) (residue 136 and name HB1) 1.8 0.0 1.1

assign (residue 136 and (name HB2 or name HB1)) (residue 136 and (name HG1 or name HG2)) 1.8 0.0 1.1


!inter


assign (residue 136 and name HN) (residue 132 and name HA) 1.8 0.0 4.2


assign (residue 136 and name HN) (residue 133 and name HN) 1.8 0.0 4.2

assign (residue 136 and name HN) (residue 133 and name HA) 1.8 0.0 4.2


assign (residue 136 and name HN) (residue 134 and name HN) 1.8 0.0 3.2


assign (residue 136 and name HN) (residue 135 and name HN) 1.8 0.0 1.7

assign (residue 136 and name HN) (residue 135 and name HA) 1.8 0.0 4.2

assign (residue 136 and name HN) (residue 135 and name HB1) 1.8 0.0 3.2
assign (residue 136 and name HN) (residue 135 and name HB2) 1.8 0.0 3.2

assign (residue 136 and name HN) (residue 135 and name HE1) 1.8 0.0 4.5


!assign (residue 136 and name HN) (residue 137 and name HN) 1.8 0.0 1.7


assign (residue 136 and (name HB2 or name HB1)) (residue 133 and name HA) 1.8 0.0 4.2


assign (residue 136 and name HA) (residue 139 and name HB1) 1.8 0.0 3.2
assign (residue 136 and name HA) (residue 139 and name HB2) 1.8 0.0 3.2


assign (residue 136 and name HG1) (residue 133 and name HA) 1.8 0.0 3.2
assign (residue 136 and name HG2) (residue 133 and name HA) 1.8 0.0 3.2


!Ala-137

!intra


assign (residue 137 and name HN) (residue 137 and name HA) 1.8 0.0 1.1

assign (residue 137 and name HN) (residue 137 and name HB#) 1.8 0.0 1.7


assign (residue 137 and name HA) (residue 137 and name HB#) 1.8 0.0 1.7


!assign (residue 137 and name HB#) (residue 137 and name HA) 1.8 0.0 1.1


!inter

assign (residue 137 and name HN) (residue 133 and name HN) 1.8 0.0 6.2

assign (residue 137 and name HN) (residue 133 and name HA) 1.8 0.0 4.2


assign (residue 137 and name HN) (residue 134 and name HN) 1.8 0.0 6.2

assign (residue 137 and name HN) (residue 134 and name HA) 1.8 0.0 4.2

assign (residue 137 and name HN) (residue 134 and name HG1#) 1.8 0.0 4.2


assign (residue 137 and name HN) (residue 135 and name HN) 1.8 0.0 4.2

assign (residue 137 and name HN) (residue 135 and name HA) 1.8 0.0 4.2


assign (residue 137 and name HN) (residue 136 and name HN) 1.8 0.0 1.7

assign (residue 137 and name HN) (residue 136 and name HA) 1.8 0.0 1.7

assign (residue 137 and name HN) (residue 136 and (name HB2 or name HB1)) 1.8 0.0 1.7
assign (residue 137 and name HN) (residue 136 and (name HB1 or name HB2)) 1.8 0.0 1.7

assign (residue 137 and name HN) (residue 136 and name HG#) 1.8 0.0 3.2


!assign (residue 137 and name HN) (residue 138 and name HN) 1.8 0.0 1.1

assign (residue 137 and name HN) (residue 138 and (name HD1# or name HD2#)) 1.8 0.0 4.2


assign (residue 137 and name HN) (residue 139 and name HN) 1.8 0.0 4.2


assign (residue 137 and name HB#) (residue 91 and name HE3) 1.8 0.0 4.2

assign (residue 137 and name HB#) (residue 91 and name HZ3) 1.8 0.0 4.2


assign (residue 137 and name HB#) (residue 134 and name HA) 1.8 0.0 4.2


assign (residue 137 and name HB#) (residue 138 and name HD1#) 1.8 0.0 3.2
assign (residue 137 and name HB#) (residue 138 and name HD2#) 1.8 0.0 1.7


!Leu-138

!intra


assign (residue 138 and name HN) (residue 138 and name HA) 1.8 0.0 1.1

assign (residue 138 and name HN) (residue 138 and name HB1) 1.8 0.0 1.7
assign (residue 138 and name HN) (residue 138 and name HB2) 1.8 0.0 1.7

assign (residue 138 and name HN) (residue 138 and name HD1#) 1.8 0.0 4.2
assign (residue 138 and name HN) (residue 138 and name HD2#) 1.8 0.0 4.2


assign (residue 138 and name HA) (residue 138 and (name HB2 or name HB1)) 1.8 0.0 1.7

assign (residue 138 and name HA) (residue 138 and name HG) 1.8 0.0 1.7

assign (residue 138 and name HA) (residue 138 and name HD1#) 1.8 0.0 3.2
assign (residue 138 and name HA) (residue 138 and name HD2#) 1.8 0.0 1.7


assign (residue 138 and name HB1) (residue 138 and name HA) 1.8 0.0 4.2
!assign (residue 138 and name HB2) (residue 138 and name HA) 1.8 0.0 4.2

!assign (residue 138 and name HB1) (residue 138 and name HB2) 1.8 0.0 1.7
!assign (residue 138 and name HB2) (residue 138 and name HB1) 1.8 0.0 1.7

assign (residue 138 and name HB1) (residue 138 and name HD2#) 1.8 0.0 1.7
assign (residue 138 and name HB2) (residue 138 and name HD2#) 1.8 0.0 1.7

assign (residue 138 and (name HB2 or name HB1)) (residue 138 and name HD1#) 1.8 0.0 4.2


assign (residue 138 and name HG) (residue 138 and (name HD1# or name HD2#)) 1.8 0.0 1.7


assign (residue 138 and name HD1#) (residue 138 and name HA) 1.8 0.0 3.2
assign (residue 138 and name HD2#) (residue 138 and name HA) 1.8 0.0 1.7

assign (residue 138 and name HD1#) (residue 138 and name HB1) 1.8 0.0 1.1
assign (residue 138 and name HD2#) (residue 138 and name HB1) 1.8 0.0 1.1

assign (residue 138 and name HD1#) (residue 138 and name HB2) 1.8 0.0 1.1
assign (residue 138 and name HD2#) (residue 138 and name HB2) 1.8 0.0 1.1

assign (residue 138 and name HD1#) (residue 138 and name HG) 1.8 0.0 1.1
assign (residue 138 and name HD2#) (residue 138 and name HG) 1.8 0.0 1.1

assign (residue 138 and name HD2#) (residue 138 and name HD1#) 1.8 0.0 1.1


!inter


assign (residue 138 and name HN) (residue 35 and name HB#) 1.8 0.0 7.2


!!! assign (residue 138 and name HN) (residue 42 and (name HB2 or name HB1)) 1.8 0.0 6.2


!!! assign (residue 138 and name HN) (residue 85 and name HN) 1.8 0.0 4.2


assign (residue 138 and name HN) (residue 135 and name HA) 1.8 0.0 4.2


assign (residue 138 and name HN) (residue 136 and name HN) 1.8 0.0 4.2
assign (residue 138 and name HN) (residue 136 and name HA) 1.8 0.0 4.2


assign (residue 138 and name HN) (residue 137 and name HN) 1.8 0.0 1.1

assign (residue 138 and name HN) (residue 137 and name HA) 1.8 0.0 1.7

assign (residue 138 and name HN) (residue 137 and name HB#) 1.8 0.0 1.7


!assign (residue 138 and name HN) (residue 139 and name HN) 1.8 0.0 1.7


assign (residue 138 and (name HB2 or name HB1)) (residue 135 and name HA) 1.8 0.0 4.2


assign (residue 138 and name HG) (residue 35 and name HB#) 1.8 0.0 7.2


assign (residue 138 and name HG) (residue 39 and (name HD1# or name HD2#)) 1.8 0.0 6.2


assign (residue 138 and name HD1#) (residue 134 and name HG2#) 1.8 0.0 1.1


assign (residue 138 and name HD1#) (residue 135 and name HA) 1.8 0.0 3.2


!Asp-139

!intra


assign (residue 139 and name HN) (residue 139 and name HA) 1.8 0.0 1.1

assign (residue 139 and name HN) (residue 139 and name HB1) 1.8 0.0 3.2
assign (residue 139 and name HN) (residue 139 and name HB2) 1.8 0.0 3.2


assign (residue 139 and name HA) (residue 139 and name HB1) 1.8 0.0 1.7
assign (residue 139 and name HA) (residue 139 and name HB2) 1.8 0.0 1.7



!inter


assign (residue 139 and name HN) (residue 40 and (name HG1# or name HG2#)) 1.8 0.0 5.2


assign (residue 139 and name HN) (residue 138 and name HN) 1.8 0.0 1.1

assign (residue 139 and name HN) (residue 138 and name HA) 1.8 0.0 1.7

assign (residue 139 and name HN) (residue 138 and name HB1) 1.8 0.0 4.2
assign (residue 139 and name HN) (residue 138 and name HB2) 1.8 0.0 1.7

assign (residue 139 and name HN) (residue 138 and name HD1#) 1.8 0.0 4.2
assign (residue 139 and name HN) (residue 138 and name HD2#) 1.8 0.0 4.2


!assign (residue 139 and name HN) (residue 140 and name HN) 1.8 0.0 1.7


assign (residue 139 and name HB1) (residue 39 and (name HD1# or name HD2#)) 1.8 0.0 3.2
assign (residue 139 and name HB2) (residue 39 and (name HD1# or name HD2#)) 1.8 0.0 4.2


assign (residue 139 and (name HB2 or name HB1)) (residue 136 and name HA) 1.8 0.0 4.2




!Gly-140

!intra


assign (residue 140 and name HN) (residue 140 and name HA1) 1.8 0.0 1.7
assign (residue 140 and name HN) (residue 140 and name HA2) 1.8 0.0 1.1


!assign (residue 140 and name HA2) (residue 140 and name HA1) 1.8 0.0 1.1


!inter


!!! assign (residue 140 and name HN) (residue 32 and name HA) 1.8 0.0 4.2


!!! assign (residue 140 and name HN) (residue 61 and name HB#) 1.8 0.0 6.2


!!! assign (residue 140 and name HN) (residue 62 and name HD1#) 1.8 0.0 5.2


!!! assign (residue 140 and name HN) (residue 126 and name HN) 1.8 0.0 4.2


assign (residue 140 and name HN) (residue 138 and name HN) 1.8 0.0 4.5


assign (residue 140 and name HN) (residue 139 and name HN) 1.8 0.0 4.2

assign (residue 140 and name HN) (residue 139 and name HA) 1.8 0.0 1.7

assign (residue 140 and name HN) (residue 139 and name HB1) 1.8 0.0 4.2
assign (residue 140 and name HN) (residue 139 and name HB2) 1.8 0.0 4.2


assign (residue 140 and name HN) (residue 141 and name HD#) 1.8 0.0 4.2


!!! assign (residue 140 and (name HA2 or name HA1)) (residue 136 and (name HB1 or name HB2)) 1.8 0.0 4.7


!Pro-141
!intra
!inter


!Ser-142
!intra
!inter


!Pro-143
!intra
!inter


!Gly-144

!intra


assign (residue 144 and name HN) (residue 144 and name HA1) 1.8 0.0 1.1
assign (residue 144 and name HN) (residue 144 and name HA2) 1.8 0.0 1.1


!assign (residue 144 and name HA1) (residue 144 and name HA2) 1.8 0.0 1.1


!inter

!!! assign (residue 144 and name HN) (residue 30 and name HN) 1.8 0.0 4.2


assign (residue 144 and name HN) (residue 143 and name HA) 1.8 0.0 1.7

assign (residue 144 and name HN) (residue 143 and name HB1) 1.8 0.0 1.7
assign (residue 144 and name HN) (residue 143 and name HB2) 1.8 0.0 4.2

assign (residue 144 and name HN) (residue 143 and name HG#) 1.8 0.0 4.2

assign (residue 144 and name HN) (residue 143 and (name HD2 or name HD1)) 1.8 0.0 4.2



!assign (residue 144 and name HN) (residue 145 and name HN) 1.8 0.0 1.7


assign (residue 144 and name HN) (residue 148 and name HB#) 1.8 0.0 4.2


assign (residue 144 and name HN) (residue 149 and name HN) 1.8 0.0 6.2


!Glu-145

!intra


assign (residue 145 and name HN) (residue 145 and name HA) 1.8 0.0 1.7

assign (residue 145 and name HN) (residue 145 and name HB1) 1.8 0.0 3.2
assign (residue 145 and name HN) (residue 145 and name HB2) 1.8 0.0 3.2

assign (residue 145 and name HN) (residue 145 and name HG1) 1.8 0.0 3.2
assign (residue 145 and name HN) (residue 145 and name HG2) 1.8 0.0 4.2


assign (residue 145 and name HA) (residue 145 and name HB#) 1.8 0.0 1.7

assign (residue 145 and name HA) (residue 145 and name HG1) 1.8 0.0 3.2
assign (residue 145 and name HA) (residue 145 and name HG2) 1.8 0.0 3.2


!inter


assign (residue 145 and name HN) (residue 10 and name HA) 1.8 0.0 6.2

assign (residue 145 and name HN) (residue 10 and (name HG1 or name HG2)) 1.8 0.0 4.2


assign (residue 145 and name HN) (residue 144 and name HN) 1.8 0.0 4.2

assign (residue 145 and name HN) (residue 144 and name HA1) 1.8 0.0 1.7
assign (residue 145 and name HN) (residue 144 and name HA2) 1.8 0.0 4.2


!assign (residue 145 and name HN) (residue 146 and name HN) 1.8 0.0 4.2


assign (residue 145 and name HA) (residue 148 and name HB#) 1.8 0.0 4.2


!Thr-146

!intra

!inter


assign (residue 146 and name HN) (residue 11 and (name HB2 or name HB1)) 1.8 0.0 7.2


!!! assign (residue 146 and name HN) (residue 118 and name HA) 1.8 0.0 4.2


assign (residue 146 and name HN) (residue 145 and name HA) 1.8 0.0 1.7

assign (residue 146 and name HN) (residue 145 and name HN) 1.8 0.0 4.2

assign (residue 146 and name HN) (residue 145 and (name HB2 or name HB1)) 1.8 0.0 4.2


!assign (residue 146 and name HN) (residue 147 and name HN) 1.8 0.0 4.2

assign (residue 146 and name HN) (residue 147 and (name HD1# or name HD2#)) 1.8 0.0 4.2


assign (residue 146 and name HG2#) (residue 119 and name HD1#) 1.8 0.0 3.2


assign (residue 146 and name HG2#) (residue 147 and name HD1#) 1.8 0.0 3.2
assign (residue 146 and name HG2#) (residue 147 and name HD2#) 1.8 0.0 3.2


assign (residue 146 and name HG2#) (residue 150 and name HD#) 1.8 0.0 3.2

assign (residue 146 and name HG2#) (residue 150 and name HZ) 1.8 0.0 5.2


!Leu-147

!intra


assign (residue 147 and name HN) (residue 147 and name HA) 1.8 0.0 1.7

assign (residue 147 and name HN) (residue 147 and name HB1) 1.8 0.0 1.7
assign (residue 147 and name HN) (residue 147 and name HB2) 1.8 0.0 1.7

assign (residue 147 and name HN) (residue 147 and (name HD1# or name HD2#)) 1.8 0.0 4.2


assign (residue 147 and name HA) (residue 147 and name HB1) 1.8 0.0 3.2
assign (residue 147 and name HA) (residue 147 and name HB2) 1.8 0.0 4.2

assign (residue 147 and name HA) (residue 147 and (name HD1# or name HD2#)) 1.8 0.0 1.7


assign (residue 147 and name HD2#) (residue 147 and name HN) 1.8 0.0 3.2

assign (residue 147 and name HD2#) (residue 147 and name HA) 1.8 0.0 1.7

assign (residue 147 and name HD2#) (residue 147 and name HG) 1.8 0.0 1.1

assign (residue 147 and name HD2#) (residue 147 and name HD1#) 1.8 0.0 1.1


!inter


assign (residue 147 and name HN) (residue 10 and (name HD2 or name HD1)) 1.8 0.0 6.2


assign (residue 147 and name HN) (residue 146 and name HN) 1.8 0.0 4.2


!assign (residue 147 and name HN) (residue 148 and name HN) 1.8 0.0 1.7


!assign (residue 147 and name HA) (residue 150 and name HB1) 1.8 0.0 4.2
assign (residue 147 and name HA) (residue 150 and name HB2) 1.8 0.0 1.7



assign (residue 147 and name HD#) (residue 11 and name HA) 1.8 0.0 1.7


assign (residue 147 and name HD#) (residue 12 and name HA) 1.8 0.0 3.2


assign (residue 147 and name HD#) (residue 117 and name HG2#) 1.8 0.0 1.7


assign (residue 147 and name HD#) (residue 118 and name HA) 1.8 0.0 3.2


assign (residue 147 and name HD#) (residue 119 and name HB#) 1.8 0.0 1.7

assign (residue 147 and name HD#) (residue 119 and name HD2#) 1.8 0.0 3.2


assign (residue 147 and name HD#) (residue 145 and name HB#) 1.8 0.0 1.7



!Ala-148

!intra


assign (residue 148 and name HN) (residue 148 and name HA) 1.8 0.0 1.1

assign (residue 148 and name HN) (residue 148 and name HB#) 1.8 0.0 1.7


assign (residue 148 and name HA) (residue 148 and name HB#) 1.8 0.0 1.7


!assign (residue 148 and name HB#) (residue 148 and name HA) 1.8 0.0 1.1


!inter

assign (residue 148 and name HN) (residue 146 and name HN) 1.8 0.0 4.2


assign (residue 148 and name HN) (residue 147 and name HN) 1.8 0.0 1.7

assign (residue 148 and name HN) (residue 147 and name HA) 1.8 0.0 1.7

assign (residue 148 and name HN) (residue 147 and name HB1) 1.8 0.0 4.2
assign (residue 148 and name HN) (residue 147 and name HB2) 1.8 0.0 1.7

assign (residue 148 and name HN) (residue 147 and (name HD1# or name HD2#)) 1.8 0.0 4.2


!assign (residue 148 and name HN) (residue 149 and name HN) 1.8 0.0 4.2


assign (residue 148 and name HA) (residue 145 and (name HG1 or name HG2)) 1.8 0.0 5.2


assign (residue 148 and name HA) (residue 151 and name HB#) 1.8 0.0 4.2


assign (residue 148 and name HA) (residue 153 and (name HG1# or name HG2#)) 1.8 0.0 6.2


assign (residue 148 and name HB#) (residue 3 and (name HB2 or name HB1)) 1.8 0.0 6.2

assign (residue 148 and name HB#) (residue 3 and (name HG1 or name HG2)) 1.8 0.0 5.2


assign (residue 148 and name HB#) (residue 145 and name HA) 1.8 0.0 4.2




!Arg-149

!intra


assign (residue 149 and name HN) (residue 149 and name HA) 1.8 0.0 1.7

assign (residue 149 and name HN) (residue 149 and name HB#) 1.8 0.0 4.2

assign (residue 149 and name HN) (residue 149 and name HG#) 1.8 0.0 3.2


assign (residue 149 and name HA) (residue 149 and name HB#) 1.8 0.0 1.7

assign (residue 149 and name HA) (residue 149 and name HG#) 1.8 0.0 1.7


!inter


!!! assign (residue 149 and name HN) (residue 28 and name HG#) 1.8 0.0 4.2


assign (residue 149 and name HN) (residue 146 and name HN) 1.8 0.0 4.2


assign (residue 149 and name HN) (residue 147 and name HN) 1.8 0.0 4.2

assign (residue 149 and name HN) (residue 147 and name HA) 1.8 0.0 3.2


assign (residue 149 and name HN) (residue 148 and name HN) 1.8 0.0 1.7

assign (residue 149 and name HN) (residue 148 and name HA) 1.8 0.0 1.7

assign (residue 149 and name HN) (residue 148 and name HB#) 1.8 0.0 1.7


!assign (residue 149 and name HN) (residue 150 and name HN) 1.8 0.0 1.7


assign (residue 149 and name HA) (residue 32 and (name HB1 or name HB2)) 1.8 0.0 6.2


!assign (residue 149 and name HA) (residue 152 and name HB#) 1.8 0.0 1.7


!Phe-150

!intra


assign (residue 150 and name HN) (residue 150 and name HA) 1.8 0.0 4.2

assign (residue 150 and name HN) (residue 150 and name HB1) 1.8 0.0 1.7
assign (residue 150 and name HN) (residue 150 and name HB2) 1.8 0.0 1.7

assign (residue 150 and name HN) (residue 150 and name HD#) 1.8 0.0 4.2

assign (residue 150 and name HA) (residue 150 and name HB1) 1.8 0.0 4.2
assign (residue 150 and name HA) (residue 150 and name HB2) 1.8 0.0 4.2

assign (residue 150 and name HA) (residue 150 and name HD#) 1.8 0.0 1.7


!assign (residue 150 and name HB1) (residue 150 and name HA) 1.8 0.0 4.2

!assign (residue 150 and name HB1) (residue 150 and name HB2) 1.8 0.0 1.7

assign (residue 150 and name HB1) (residue 150 and name HD#) 1.8 0.0 1.7
assign (residue 150 and name HB2) (residue 150 and name HD#) 1.8 0.0 4.2


!assign (residue 150 and name HD#) (residue 150 and name HA) 1.8 0.0 4.2

!assign (residue 150 and name HD#) (residue 150 and name HB1) 1.8 0.0 4.2
!assign (residue 150 and name HD#) (residue 150 and name HB2) 1.8 0.0 4.2

assign (residue 150 and name HD#) (residue 150 and name HE#) 1.8 0.0 1.7


!inter


assign (residue 150 and name HN) (residue 147 and name HN) 1.8 0.0 4.2

assign (residue 150 and name HN) (residue 147 and name HA) 1.8 0.0 4.2


assign (residue 150 and name HN) (residue 148 and name HN) 1.8 0.0 3.2

assign (residue 150 and name HN) (residue 148 and name HA) 1.8 0.0 4.2


assign (residue 150 and name HN) (residue 149 and name HN) 1.8 0.0 4.2

assign (residue 150 and name HN) (residue 149 and name HA) 1.8 0.0 4.2

assign (residue 150 and name HN) (residue 149 and name HB#) 1.8 0.0 4.2

assign (residue 150 and name HN) (residue 149 and name HG#) 1.8 0.0 4.2


!assign (residue 150 and name HN) (residue 151 and name HN) 1.8 0.0 1.7


!assign (residue 150 and name HA) (residue 153 and name HB) 1.8 0.0 4.2


assign (residue 150 and (name HB1 or name HB2)) (residue 147 and name HA) 1.8 0.0 4.2


assign (residue 150 and name HD#) (residue 154 and name HG1#) 1.8 0.0 1.7


!Ala-151

!intra


assign (residue 151 and name HN) (residue 151 and name HA) 1.8 0.0 1.7

assign (residue 151 and name HN) (residue 151 and name HB#) 1.8 0.0 1.1


assign (residue 151 and name HA) (residue 151 and name HB#) 1.8 0.0 1.1



!inter

assign (residue 151 and name HN) (residue 14 and (name HG1# or name HG2#)) 1.8 0.0 3.2


assign (residue 151 and name HN) (residue 147 and name HA) 1.8 0.0 1.7


assign (residue 151 and name HN) (residue 148 and name HN) 1.8 0.0 4.2

assign (residue 151 and name HN) (residue 148 and name HA) 1.8 0.0 4.2


assign (residue 151 and name HN) (residue 149 and name HN) 1.8 0.0 4.2

assign (residue 151 and name HN) (residue 149 and name HA) 1.8 0.0 4.2


assign (residue 151 and name HN) (residue 150 and name HN) 1.8 0.0 1.7

assign (residue 151 and name HN) (residue 150 and name HA) 1.8 0.0 4.2

assign (residue 151 and name HN) (residue 150 and name HB1) 1.8 0.0 4.2
assign (residue 151 and name HN) (residue 150 and name HB2) 1.8 0.0 3.2

assign (residue 151 and name HN) (residue 150 and name HD#) 1.8 0.0 4.2


!assign (residue 151 and name HN) (residue 152 and name HN) 1.8 0.0 1.7


assign (residue 151 and name HA) (residue 14 and (name HG1# or name HG2#)) 1.8 0.0 1.1


assign (residue 151 and name HA) (residue 148 and name HA) 1.8 0.0 6.2


!assign (residue 151 and name HA) (residue 154 and name HB) 1.8 0.0 4.2

assign (residue 151 and name HA) (residue 154 and name HG2#) 1.8 0.0 1.7

assign (residue 151 and name HA) (residue 154 and name HD1#) 1.8 0.0 4.2


assign (residue 151 and name HB#) (residue 12 and name HA) 1.8 0.0 6.2


assign (residue 151 and name HB#) (residue 14 and name HA) 1.8 0.0 4.2


assign (residue 151 and name HB#) (residue 150 and name HD#) 1.8 0.0 4.2


assign (residue 151 and name HB#) (residue 154 and name HG1#) 1.8 0.0 4.2
assign (residue 151 and name HB#) (residue 154 and name HG2#) 1.8 0.0 3.2


!Asn-152

!intra


assign (residue 152 and name HN) (residue 152 and name HA) 1.8 0.0 1.1

assign (residue 152 and name HN) (residue 152 and name HB#) 1.8 0.0 1.7


!assign (residue 152 and name HA) (residue 152 and name HB#) 1.8 0.0 1.1


assign (residue 152 and name HB1) (residue 152 and name HA) 1.8 0.0 1.1
assign (residue 152 and name HB2) (residue 152 and name HA) 1.8 0.0 1.1

!assign (residue 152 and name HB2) (residue 152 and name HB1) 1.8 0.0 1.1


!inter


assign (residue 152 and name HN) (residue 12 and (name HG1# or name HG2#)) 1.8 0.0 6.2


assign (residue 152 and name HN) (residue 148 and name HA) 1.8 0.0 4.2


assign (residue 152 and name HN) (residue 149 and name HN) 1.8 0.0 4.2

assign (residue 152 and name HN) (residue 149 and name HA) 1.8 0.0 3.2


assign (residue 152 and name HN) (residue 150 and name HN) 1.8 0.0 4.2

assign (residue 152 and name HN) (residue 150 and name HA) 1.8 0.0 4.2


assign (residue 152 and name HN) (residue 151 and name HN) 1.8 0.0 1.7

assign (residue 152 and name HN) (residue 151 and name HA) 1.8 0.0 1.7

assign (residue 152 and name HN) (residue 151 and name HB#) 1.8 0.0 1.1


!assign (residue 152 and name HN) (residue 153 and name HN) 1.8 0.0 1.1


assign (residue 152 and (name HB2 or name HB1)) (residue 12 and (name HG1# or name HG2#)) 1.8 0.0 6.2


!!! assign (residue 152 and (name HB2 or name HB1)) (residue 109 and (name HB2 or name HB1)) 1.8 0.0 4.2


assign (residue 152 and name HB1) (residue 149 and name HA) 1.8 0.0 3.2
assign (residue 152 and name HB2) (residue 149 and name HA) 1.8 0.0 3.2



!Val-153

!intra


assign (residue 153 and name HN) (residue 153 and name HA) 1.8 0.0 1.1

assign (residue 153 and name HN) (residue 153 and name HB) 1.8 0.0 1.7

assign (residue 153 and name HN) (residue 153 and name HG1#) 1.8 0.0 1.7
assign (residue 153 and name HN) (residue 153 and name HG2#) 1.8 0.0 1.7


assign (residue 153 and name HA) (residue 153 and name HB) 1.8 0.0 1.1

assign (residue 153 and name HA) (residue 153 and name HG1#) 1.8 0.0 1.7
assign (residue 153 and name HA) (residue 153 and name HG2#) 1.8 0.0 1.7


!assign (residue 153 and name HB) (residue 153 and name HA) 1.8 0.0 1.7

assign (residue 153 and name HB) (residue 153 and (name HG1# or name HG2#)) 1.8 0.0 1.7


!inter

assign (residue 153 and name HN) (residue 149 and name HA) 1.8 0.0 4.2

assign (residue 153 and name HN) (residue 149 and (name HB2 or name HB1)) 1.8 0.0 4.2


assign (residue 153 and name HN) (residue 150 and name HN) 1.8 0.0 4.2

assign (residue 153 and name HN) (residue 150 and name HA) 1.8 0.0 4.2


assign (residue 153 and name HN) (residue 151 and name HN) 1.8 0.0 4.2

assign (residue 153 and name HN) (residue 151 and name HA) 1.8 0.0 4.2

assign (residue 153 and name HN) (residue 151 and name HB#) 1.8 0.0 4.2



assign (residue 153 and name HN) (residue 152 and name HN) 1.8 0.0 1.1

assign (residue 153 and name HN) (residue 152 and name HA) 1.8 0.0 1.7

assign (residue 153 and name HN) (residue 152 and name HB#) 1.8 0.0 1.7


!assign (residue 153 and name HN) (residue 154 and name HN) 1.8 0.0 1.1


assign (residue 153 and name HA) (residue 152 and (name HB1 or name HB2)) 1.8 0.0 4.2


assign (residue 153 and name HB) (residue 150 and name HA) 1.8 0.0 3.2


assign (residue 153 and name HG2#) (residue 32 and name HA) 1.8 0.0 3.2

assign (residue 153 and name HG2#) (residue 32 and name HD1) 1.8 0.0 1.7


!!! assign (residue 153 and name HG2#) (residue 110 and name HB#) 1.8 0.0 4.2


assign (residue 153 and name HG2#) (residue 150 and name HD#) 1.8 0.0 3.2


assign (residue 153 and name HG2#) (residue 151 and name HA) 1.8 0.0 4.2


assign (residue 153 and name HG2#) (residue 152 and name HA) 1.8 0.0 4.2


!Ile-154

!intra


assign (residue 154 and name HN) (residue 154 and name HA) 1.8 0.0 1.7
assign (residue 154 and name HN) (residue 154 and name HB) 1.8 0.0 1.7

assign (residue 154 and name HN) (residue 154 and name HG1#) 1.8 0.0 3.2
assign (residue 154 and name HN) (residue 154 and name HG2#) 1.8 0.0 1.7

assign (residue 154 and name HN) (residue 154 and name HD1#) 1.8 0.0 4.2


!assign (residue 154 and name HA) (residue 154 and name HB) 1.8 0.0 1.7

assign (residue 154 and name HA) (residue 154 and name HG1#) 1.8 0.0 1.7
assign (residue 154 and name HA) (residue 154 and name HG2#) 1.8 0.0 1.7

assign (residue 154 and name HA) (residue 154 and name HD1#) 1.8 0.0 3.2


assign (residue 154 and name HB) (residue 154 and name HA) 1.8 0.0 1.1

assign (residue 154 and name HB) (residue 154 and name HG1#) 1.8 0.0 1.7
assign (residue 154 and name HB) (residue 154 and name HG2#) 1.8 0.0 1.7

assign (residue 154 and name HB) (residue 154 and name HD1#) 1.8 0.0 1.7


assign (residue 154 and name HG2#) (residue 154 and name HB) 1.8 0.0 1.7


assign (residue 154 and name HD1#) (residue 154 and name HG1#) 1.8 0.0 1.1
assign (residue 154 and name HD1#) (residue 154 and name HG2#) 1.8 0.0 1.1


!inter


assign (residue 154 and name HN) (residue 32 and name HN) 1.8 0.0 7.2


!!! assign (residue 154 and name HN) (residue 33 and name HN) 1.8 0.0 4.2


assign (residue 154 and name HN) (residue 150 and name HA) 1.8 0.0 4.2

assign (residue 154 and name HN) (residue 150 and name HD#) 1.8 0.0 4.2


assign (residue 154 and name HN) (residue 151 and name HN) 1.8 0.0 4.2

assign (residue 154 and name HN) (residue 151 and name HA) 1.8 0.0 4.2



assign (residue 154 and name HN) (residue 152 and name HN) 1.8 0.0 4.2

assign (residue 154 and name HN) (residue 152 and name HA) 1.8 0.0 4.2

assign (residue 154 and name HN) (residue 152 and name HB#) 1.8 0.0 4.2


assign (residue 154 and name HN) (residue 153 and name HN) 1.8 0.0 1.7

assign (residue 154 and name HN) (residue 153 and name HA) 1.8 0.0 1.7

assign (residue 154 and name HN) (residue 153 and name HB) 1.8 0.0 3.2

assign (residue 154 and name HN) (residue 153 and (name HG1# or name HG2#)) 1.8 0.0 1.7


assign (residue 154 and name HA) (residue 20 and name HD2) 1.8 0.0 4.2


assign (residue 154 and name HB) (residue 151 and name HA) 1.8 0.0 3.2
assign (residue 154 and name HB) (residue 151 and name HB#) 1.8 0.0 4.2


assign (residue 154 and name HG2#) (residue 16 and name HA) 1.8 0.0 3.2

assign (residue 154 and name HG2#) (residue 16 and name HB#) 1.8 0.0 1.7


assign (residue 154 and name HG2#) (residue 20 and name HD2) 1.8 0.0 1.7


assign (residue 154 and name HG2#) (residue 150 and name HD#) 1.8 0.0 3.2

assign (residue 154 and name HG2#) (residue 150 and name HE#) 1.8 0.0 1.7

assign (residue 154 and name HG2#) (residue 150 and name HZ) 1.8 0.0 1.7


assign (residue 154 and name HG2#) (residue 151 and name HA) 1.8 0.0 1.7


assign (residue 154 and name HD1#) (residue 16 and name HA) 1.8 0.0 4.2

assign (residue 154 and name HD1#) (residue 16 and name HB#) 1.8 0.0 1.7


assign (residue 154 and name HD1#) (residue 20 and name HB#) 1.8 0.0 3.2

assign (residue 154 and name HD1#) (residue 20 and name HD2) 1.8 0.0 1.7


assign (residue 154 and name HD1#) (residue 24 and name HB) 1.8 0.0 3.2


assign (residue 154 and name HD1#) (residue 25 and name HB#) 1.8 0.0 5.2


assign (residue 154 and name HD1#) (residue 150 and name HD#) 1.8 0.0 1.7

assign (residue 154 and name HD1#) (residue 150 and name HE#) 1.8 0.0 1.1

assign (residue 154 and name HD1#) (residue 150 and name HZ) 1.8 0.0 1.1


assign (residue 154 and name HD1#) (residue 151 and name HA) 1.8 0.0 3.2




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