NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
624633 |
5wpx   |
cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
# Restraints file 2: niacin-PCP_noe.tbl
!Met-1
!intra
assign (resid 1 and name HT#) (resid 1 and name HB#) 1.8 0.0 1.7
assign (resid 1 and name HT#) (resid 1 and name HG1) 1.8 0.0 1.7
assign (resid 1 and name HT#) (resid 1 and name HG2) 1.8 0.0 1.7
assign (resid 1 and name HA) (resid 1 and name HT#) 1.8 0.0 1.7
assign (resid 1 and name HA) (resid 1 and name HG#) 1.8 0.0 1.7 ! only HG2
assign (resid 1 and name HB#) (resid 1 and name HG1) 1.8 0.0 1.7
assign (resid 1 and name HB#) (resid 1 and name HG2) 1.8 0.0 1.7
!inter
assign (resid 1 and name HA) (resid 2 and name HN) 1.8 0.0 1.7
assign (resid 1 and name HT#) (resid 2 and name HN) 1.8 0.0 1.7
assign (resid 1 and name HB#) (resid 4 and name HB#) 1.8 0.0 1.7
!Gln-2
!intra
assign (resid 2 and name HA) (resid 2 and name HB#) 1.8 0.0 1.1
assign (resid 2 and name HA) (resid 2 and name HN) 1.8 0.0 1.7
assign (resid 2 and name HA) (resid 2 and name HG#) 1.8 0.0 1.7
assign (resid 2 and name HB#) (resid 2 and name HN) 1.8 0.0 1.7
assign (resid 2 and name HB1) (resid 2 and name HG#) 1.8 0.0 1.1
assign (resid 2 and name HB2) (resid 2 and name HG#) 1.8 0.0 1.1
assign (resid 2 and name HG#) (resid 2 and name HA) 1.8 0.0 1.7
assign (resid 2 and name HG#) (resid 2 and name HN) 1.8 0.0 3.2
assign (resid 2 and name HG#) (resid 2 and name HE22) 1.8 0.0 3.2
!changefromA4_HA
!inter
assign (resid 2 and name HN) (resid 1 and name HG1) 1.8 0.0 3.2
assign (resid 2 and name HN) (resid 1 and name HG2) 1.8 0.0 3.2
assign (resid 2 and name HN) (resid 3 and name HN) 1.8 0.0 3.2
assign (resid 2 and name HN) (resid 3 and name HB#) 1.8 0.0 4.5 !new
assign (resid 2 and name HN) ((resid 4 and name HN) or (resid 2 and name HE2#)) 1.8 0.0 3.2
assign (resid 2 and name HB#) (resid 77 and name HG#) 1.8 0.0 1.7 ! only HG2#
assign (resid 2 and name HG#) (resid 77 and name HG1#) 1.8 0.0 3.2
assign (resid 2 and name HG#) (resid 77 and name HG2#) 1.8 0.0 1.7
assign (resid 2 and name HG#) (resid 77 and (name HG1# or name HG2#)) 1.8 0.0 3.2
!20111020
!His-3
!intra
assign (resid 3 and name HN) (resid 3 and name HB1) 1.8 0.0 3.2
assign (resid 3 and name HN) (resid 3 and name HB2) 1.8 0.0 3.2
assign (resid 3 and name HN) (resid 3 and name HA) 1.8 0.0 3.2
assign (resid 3 and name HA) (resid 3 and name HB1) 1.8 0.0 3.2
assign (resid 3 and name HA) (resid 3 and name HB2) 1.8 0.0 1.7
!inter
assign (resid 3 and name HN) (resid 2 and name HB#) 1.8 0.0 3.2
assign (resid 3 and name HN) (resid 2 and name HA) 1.8 0.0 3.2
assign (resid 3 and name HN) (resid 2 and name HG#) 1.8 0.0 3.2
assign (resid 3 and name HN) (resid 4 and name HN) 1.8 0.0 1.7
assign (resid 3 and name HB1) (resid 6 and name HG#) 1.8 0.0 4.2
assign (resid 3 and name HB2) (resid 6 and name HG#) 1.8 0.0 4.2
assign (resid 3 and name HA) (resid 6 and name HG#) 1.8 0.0 2.5
assign (resid 3 and name HB1) (resid 7 and name HD1#) 1.8 0.0 3.5
assign (resid 3 and name HB2) (resid 7 and name HD1#) 1.8 0.0 3.2
!Ala-4
!intra
assign (resid 4 and name HN) (resid 4 and name HA) 1.8 0.0 1.7
assign (resid 4 and name HA) (resid 4 and name HB#) 1.8 0.0 1.1
assign (resid 4 and name HB#) (resid 4 and name HN) 1.8 0.0 1.7
!inter
assign (resid 4 and name HN) (resid 1 and name HB#) 1.8 0.0 3.2
assign (resid 4 and name HN) (resid 3 and name HN) 1.8 0.0 1.7
assign (resid 4 and name HN) (resid 3 and name HA) 1.8 0.0 1.7
!!assign (resid 4 and name HN) (resid 3 and name HB1) 1.8 0.0 3.2
!!assign (resid 4 and name HN) (resid 3 and name HB2) 1.8 0.0 3.2
assign (resid 4 and name HN) (resid 5 and name HN) 1.8 0.0 3.2
assign (resid 4 and name HA) (resid 1 and name HG#) 1.8 0.0 3.2
assign (resid 4 and name HA) (resid 7 and name HB) 1.8 0.0 3.2 ! double emerge
! assign (resid 4 and name HA) (resid 69 and name HD1#) 1.8 0.0 4.2 ! 1201110
assign (resid 4 and name HB#) (resid 5 and name HA) 1.8 0.0 3.2
!Ser-5
!intra
assign (resid 5 and name HN) (resid 5 and name HA) 1.8 0.0 3.2
assign (resid 5 and name HN) (resid 5 and name HB#) 1.8 0.0 3.2
!inter
assign (resid 5 and name HN) (resid 4 and name HA) 1.8 0.0 3.2
assign (resid 5 and name HN) (resid 4 and name HB#) 1.8 0.0 3.2
assign (resid 5 and name HN) (resid 6 and name HN) 1.8 0.0 3.2
assign (resid 5 and name HA) (resid 6 and name HG#) 1.8 0.0 3.2
!Val-6
!intra
assign (resid 6 and name HA) (resid 6 and name HN) 1.8 0.0 1.7
assign (resid 6 and name HA) (resid 6 and name HB) 1.8 0.0 1.1
assign (resid 6 and name HB) (resid 6 and name HN) 1.8 0.0 1.7
assign (resid 6 and name HA) (resid 6 and name HG#) 1.8 0.0 1.1
assign (resid 6 and name HG#) (resid 6 and name HN) 1.8 0.0 1.7
assign (resid 6 and name HG#) (resid 6 and name HB) 1.8 0.0 1.1
!inter
assign (resid 6 and name HN) (resid 3 and name HA) 1.8 0.0 4.2
assign (resid 6 and name HB) (resid 3 and name HB#) 1.8 0.0 3.2
!!assign (resid 6 and name HN) (resid 3 and name HB1) 1.8 0.0 4.2
!!assign (resid 6 and name HN) (resid 3 and name HB2) 1.8 0.0 4.2
! 20110919
assign (resid 6 and name HN) (resid 4 and name HN) 1.8 0.0 4.2
assign (resid 6 and name HN) (resid 4 and name HA) 1.8 0.0 4.2
assign (resid 6 and name HN) (resid 4 and name HB#) 1.8 0.0 4.2
assign (resid 6 and name HN) (resid 5 and name HA) 1.8 0.0 1.7
assign (resid 6 and name HN) (resid 5 and name HN) 1.8 0.0 1.7
assign (resid 6 and name HN) (resid 7 and name HD1#) 1.8 0.0 3.2
assign (resid 6 and name HN) (resid 7 and name HN) 1.8 0.0 1.7 ! double emerge
assign (resid 6 and name HN) (resid 8 and name HN) 1.8 0.0 3.2
assign (resid 6 and name HA) (resid 9 and name HB#) 1.8 0.0 2.5
assign (resid 6 and name HB) (resid 7 and name HN) 1.8 0.0 3.2
assign (resid 6 and name HG#) (resid 10 and name HZ) 1.8 0.0 4.5
assign (resid 6 and name HG#) (resid 10 and name HE#) 1.8 0.0 3.2
!Ile-7
!intra
assign (resid 7 and name HA) (resid 7 and name HN) 1.8 0.0 1.7 ! certain
assign (resid 7 and name HA) (resid 7 and name HG12) 1.8 0.0 1.7
assign (resid 7 and name HA) (resid 7 and name HG11) 1.8 0.0 1.7
assign (resid 7 and name HA) (resid 7 and name HG2#) 1.8 0.0 1.1
assign (resid 7 and name HB) (resid 7 and name HN) 1.8 0.0 1.7
assign (resid 7 and name HB) (resid 7 and name HA) 1.8 0.0 1.7
assign (resid 7 and name HB) (resid 7 and name HG11) 1.8 0.0 1.7
assign (resid 7 and name HB) (resid 7 and name HG12) 1.8 0.0 1.7
assign (resid 7 and name HB) (resid 7 and name HG2#) 1.8 0.0 1.1
assign (resid 7 and name HB) (resid 7 and name HD1#) 1.8 0.0 1.1
assign (resid 7 and name HD1#) (resid 7 and name HG11) 1.8 0.0 1.1
assign (resid 7 and name HD1#) (resid 7 and name HG12) 1.8 0.0 1.1
assign (resid 7 and name HG11) (resid 7 and name HG2#) 1.8 0.0 1.7
assign (resid 7 and name HG12) (resid 7 and name HG2#) 1.8 0.0 1.7
assign (resid 7 and name HG12) (resid 7 and name HN) 1.8 0.0 3.2
assign (resid 7 and name HG11) (resid 7 and name HN) 1.8 0.0 3.2
assign (resid 7 and name HG2#) (resid 7 and name HN) 1.8 0.0 3.2
assign (resid 7 and name HG2#) (resid 7 and name HA) 1.8 0.0 1.1
assign (resid 7 and name HG2#) (resid 7 and name HB) 1.8 0.0 1.1
assign (resid 7 and name HD1#) (resid 7 and name HN) 1.8 0.0 3.2
assign (resid 7 and name HD1#) (resid 7 and name HA) 1.8 0.0 3.2
!inter
assign (resid 7 and name HN) (resid 4 and name HA) 1.8 0.0 3.2
assign (resid 7 and name HN) (resid 5 and name HA) 1.8 0.0 3.2
assign (resid 7 and name HN) (resid 6 and name HA) 1.8 0.0 1.7
assign (resid 7 and name HN) (resid 8 and name HN) 1.8 0.0 1.7
assign (resid 7 and name HN) (resid 8 and name HB#) 1.8 0.0 4.2
assign (resid 7 and name HN) (resid 9 and name HN) 1.8 0.0 3.2
assign (resid 7 and name HN) (resid 10 and name HD#) 1.8 0.0 4.5
! assign (resid 7 and name HN) (resid 10 and name HE#) 1.8 0.0 5.2
assign (resid 7 and name HA) (resid 10 and name HB#) 1.8 0.0 4.2
assign (resid 7 and name HA) (resid 82 and name HG#) 1.8 0.0 5.2
assign (resid 7 and name HB) (resid 4 and name HA) 1.8 0.0 3.2
assign (resid 7 and name HB) (resid 5 and name HA) 1.8 0.0 3.2
assign (resid 7 and name HB) (resid 8 and name HB#) 1.8 0.0 3.2
assign (resid 7 and name HB) (resid 8 and name HN) 1.8 0.0 1.7
assign (resid 7 and name HG2#) (resid 8 and name HA) 1.8 0.0 1.7
assign (resid 7 and name HG2#) (resid 8 and name HB#) 1.8 0.0 3.2
! assign (resid 7 and name HG2#) (resid 69 and name HA) 1.8 0.0 3.2 ! do exit
! assign (resid 7 and name HD1#) (resid 72 and name HA) 1.8 0.0 4.2
assign (resid 7 and name HD1#) (resid 72 and name HB) 1.8 0.0 4.2
! assign (resid 7 and name HD1#) (resid 72 and name HG1#) 1.8 0.0 4.2 !HG12
assign (resid 7 and name HD1#) (resid 72 and name HD1#) 1.8 0.0 4.2
assign (resid 7 and name HD1#) (resid 73 and name HA) 1.8 0.0 3.2
assign (resid 7 and name HD1#) (resid 73 and name HB2) 1.8 0.0 3.2
assign (resid 7 and name HD1#) (resid 73 and name HB1) 1.8 0.0 3.2
assign (resid 7 and name HD1#) (resid 73 and name HN) 1.8 0.0 3.2
assign (resid 7 and name HD1#) (resid 76 and name HG2#) 1.8 0.0 4.2
!Ala-8
!intra
assign (resid 8 and name HA) (resid 8 and name HB#) 1.8 0.0 1.1
assign (resid 8 and name HB#) (resid 8 and name HN) 1.8 0.0 1.1
!inter
assign (resid 8 and name HN) (resid 4 and name HA) 1.8 0.0 3.2
assign (resid 8 and name HN) (resid 5 and name HA) 1.8 0.0 3.2
assign (resid 8 and name HN) (resid 6 and name HA) 1.8 0.0 3.2
assign (resid 8 and name HN) (resid 7 and name HA) 1.8 0.0 1.7
assign (resid 8 and name HN) (resid 7 and name HD1#) 1.8 0.0 4.2
assign (resid 8 and name HN) (resid 9 and name HN) 1.8 0.0 1.1
assign (resid 8 and name HN) (resid 10 and name HN) 1.8 0.0 3.2
assign (resid 8 and name HA) (resid 11 and name HB) 1.8 0.0 4.2
assign (resid 8 and name HA) (resid 21 and name HA) 1.8 0.0 5.2
assign (resid 8 and name HA) (resid 26 and name HB) 1.8 0.0 4.2
assign (resid 8 and name HA) (resid 26 and (name HG1# or name HG2#)) 1.8 0.0 4.5
assign (resid 8 and name HA) (resid 69 and name HG2#) 1.8 0.0 4.2
assign (resid 8 and name HB#) (resid 6 and name HN) 1.8 0.0 4.2
assign (resid 8 and name HB#) (resid 7 and name HD1#) 1.8 0.0 4.2
assign (resid 8 and name HB#) (resid 9 and name HG#) 1.8 0.0 4.2
assign (resid 8 and name HB#) (resid 11 and (name HG1# or name HG2#)) 1.8 0.0 4.2
assign (resid 8 and name HB#) (resid 21 and name HG1) 1.8 0.0 4.2
assign (resid 8 and name HB#) (resid 21 and name HG2) 1.8 0.0 4.2
assign (resid 8 and name HB#) (resid 26 and (name HG1# or name HG2#)) 1.8 0.0 4.2
assign (resid 8 and name HB#) (resid 69 and name HD1#) 1.8 0.0 4.2
!Gln-9
!intra
assign (resid 9 and name HA) (resid 9 and name HN) 1.8 0.0 1.7
assign (resid 9 and name HA) (resid 9 and name HB#) 1.8 0.0 1.1
assign (resid 9 and name HN) (resid 9 and name HB#) 1.8 0.0 1.1
assign (resid 9 and name HG1) (resid 9 and name HA) 1.8 0.0 1.7
assign (resid 9 and name HG2) (resid 9 and name HA) 1.8 0.0 3.2
assign (resid 9 and name HG1) (resid 9 and name HB#) 1.8 0.0 1.1
assign (resid 9 and name HG2) (resid 9 and name HB#) 1.8 0.0 1.7
assign (resid 9 and name HN) (resid 9 and name HG1) 1.8 0.0 3.2
assign (resid 9 and name HN) (resid 9 and name HG2) 1.8 0.0 3.2
assign (resid 9 and name HG#) (resid 9 and name HE2#) 1.8 0.0 3.2
!inter
assign (resid 9 and name HN) (resid 5 and name HA) 1.8 0.0 3.2
assign (resid 9 and name HN) (resid 6 and name HA) 1.8 0.0 3.2
assign (resid 9 and name HN) (resid 7 and name HA) 1.8 0.0 3.2
assign (resid 9 and name HN) (resid 8 and name HA) 1.8 0.0 1.7
assign (resid 9 and name HN) (resid 8 and name HB#) 1.8 0.0 1.1
assign (resid 9 and name HN) (resid 10 and name HN) 1.8 0.0 1.1
assign (resid 9 and name HN) (resid 11 and name HG#) 1.8 0.0 3.2
assign (resid 9 and name HN) (resid 11 and name HN) 1.8 0.0 3.2
assign (resid 9 and name HA) (resid 12 and name HB) 1.8 0.0 3.2
assign (resid 9 and name HA) (resid 12 and name HG#) 1.8 0.0 1.7
assign (resid 9 and name HA) (resid 21 and name HA) 1.8 0.0 4.2
assign (resid 9 and name HA) (resid 21 and name HB#) 1.8 0.0 3.2
assign (resid 9 and name HA) (resid 21 and name HG#) 1.8 0.0 3.2
assign (resid 9 and name HB#) (resid 6 and (name HG1# or name HG2#)) 1.8 0.0 3.2
assign (resid 9 and name HB#) (resid 12 and (name HG1# or name HG2#)) 1.8 0.0 3.2
assign (resid 9 and name HB#) (resid 21 and name HA) 1.8 0.0 4.2
assign (resid 9 and name HB#) (resid 21 and name HB#) 1.8 0.0 3.2
assign (resid 9 and name HG1) (resid 6 and name HA) 1.8 0.0 3.2
assign (resid 9 and name HG2) (resid 6 and name HA) 1.8 0.0 3.2
assign (resid 9 and name HG#) (resid 21 and name HB#) 1.8 0.0 3.2
assign (resid 9 and name HE2#) (resid 6 and name HB#) 1.8 0.0 4.2
assign (resid 9 and name HE2#) (resid 10 and name HD#) 1.8 0.0 3.2
assign (resid 9 and name HE2#) (resid 11 and name HN) 1.8 0.0 3.2
assign (resid 9 and name HE2#) (resid 12 and (name HG1# or name HG2#)) 1.8 0.0 4.2
assign (resid 9 and name HE2#) (resid 13 and name HB1) 1.8 0.0 4.2
assign (resid 9 and name HE2#) (resid 13 and name HB2) 1.8 0.0 3.2
!PHE-10
!intra
assign (resid 10 and name HA) (resid 10 and name HB#) 1.8 0.0 1.1
assign (resid 10 and name HA) (resid 10 and name HN) 1.8 0.0 1.7
assign (resid 10 and name HA) (resid 10 and name HD#) 1.8 0.0 3.2
assign (resid 10 and name HN) (resid 10 and name HD#) 1.8 0.0 3.2
!inter
assign (resid 10 and name HN) (resid 6 and name HA) 1.8 0.0 4.2
assign (resid 10 and name HN) (resid 7 and name HA) 1.8 0.0 4.2
assign (resid 10 and name HN) (resid 8 and name HA) 1.8 0.0 4.2
assign (resid 10 and name HN) (resid 9 and name HA) 1.8 0.0 1.7
assign (resid 10 and name HN) (resid 9 and name HB#) 1.8 0.0 1.7
assign (resid 10 and name HN) (resid 9 and name HE2#) 1.8 0.0 3.2
assign (resid 10 and name HN) (resid 11 and name HN) 1.8 0.0 1.1
assign (resid 10 and name HN) (resid 12 and name HN) 1.8 0.0 3.2
assign (resid 10 and name HA) (resid 13 and name HB1) 1.8 0.0 3.2
assign (resid 10 and name HA) (resid 13 and name HB2) 1.8 0.0 3.2
! assign (resid 10 and name HA) (resid 15 and name HD#) 1.8 0.0 6.2
assign (resid 10 and name HA) (resid 15 and name HE#) 1.8 0.0 6.2
assign (resid 10 and name HB#) (resid 11 and (name HG1# or name HG2#)) 1.8 0.0 3.2
assign (resid 10 and name HB#) (resid 15 and name HD#) 1.8 0.0 7.2
assign (resid 10 and name HB#) (resid 15 and name HE#) 1.8 0.0 7.2
!Val-11
!intra
assign (resid 11 and name HN) (resid 11 and name HA) 1.8 0.0 1.7
assign (resid 11 and name HA) (resid 11 and name HB) 1.8 0.0 1.7
assign (resid 11 and name HA) (resid 11 and name HG#) 1.8 0.0 1.1 !1.7
assign (resid 11 and name HB) (resid 11 and name HN) 1.8 0.0 1.7
assign (resid 11 and name HB) (resid 11 and name HG#) 1.8 0.0 1.1
assign (resid 11 and name HG#) (resid 11 and name HN) 1.8 0.0 1.7
!inter
assign (resid 11 and name HN) (resid 8 and name HA) 1.8 0.0 3.2
assign (resid 11 and name HN) (resid 9 and name HA) 1.8 0.0 3.2
assign (resid 11 and name HN) (resid 9 and name HN) 1.8 0.0 3.2
assign (resid 11 and name HN) (resid 10 and name HA) 1.8 0.0 1.7
assign (resid 11 and name HN) (resid 10 and name HB#) 1.8 0.0 1.7
assign (resid 11 and name HN) (resid 12 and name HN) 1.8 0.0 1.7
assign (resid 11 and name HN) (resid 13 and name HN) 1.8 0.0 3.2
assign (resid 11 and name HA) (resid 10 and name HN) 1.8 0.0 4.2
assign (resid 11 and name HA) (resid 12 and name HG#) 1.8 0.0 3.2
assign (resid 11 and name HA) (resid 14 and name HB#) 1.8 0.0 3.2
assign (resid 11 and name HB) (resid 10 and name HD#) 1.8 0.0 3.2
assign (resid 11 and name HB) (resid 10 and name HE#) 1.8 0.0 5.2
assign (resid 11 and name HG#) (resid 7 and name HA) 1.8 0.0 3.2
assign (resid 11 and name HG#) (resid 7 and name HG1#) 1.8 0.0 4.2
assign (resid 11 and name HG#) (resid 7 and name HG2#) 1.8 0.0 4.2
assign (resid 11 and name HG#) (resid 8 and name HA) 1.8 0.0 3.2
assign (resid 11 and name HG#) (resid 10 and name HA) 1.8 0.0 3.2
assign (resid 11 and name HG#) (resid 10 and name HD#) 1.8 0.0 3.2
assign (resid 11 and name HG#) (resid 10 and name HN) 1.8 0.0 3.2
assign (resid 11 and name HG#) (resid 13 and name HB#) 1.8 0.0 4.2
assign (resid 11 and name HG#) (resid 14 and name HB#) 1.8 0.0 4.2
assign (resid 11 and name HG#) (resid 12 and name HN) 1.8 0.0 3.2
!Val-12
!intra
assign (resid 12 and name HA) (resid 12 and name HN) 1.8 0.0 1.7
assign (resid 12 and name HA) (resid 12 and name HB) 1.8 0.0 1.1
assign (resid 12 and name HA) (resid 12 and name HG#) 1.8 0.0 1.1
assign (resid 12 and name HB) (resid 12 and name HN) 1.8 0.0 1.7
assign (resid 12 and name HB) (resid 12 and name HG#) 1.8 0.0 1.1
assign (resid 12 and name HG#) (resid 12 and name HN) 1.8 0.0 1.7
!inter
assign (resid 12 and name HN) (resid 8 and name HA) 1.8 0.0 3.2
assign (resid 12 and name HN) (resid 9 and name HA) 1.8 0.0 3.2
assign (resid 12 and name HG#) (resid 9 and name HE2#) 1.8 0.0 4.2
assign (resid 12 and name HN) (resid 10 and name HA) 1.8 0.0 3.2
assign (resid 12 and name HN) (resid 11 and name HA) 1.8 0.0 3.2
assign (resid 12 and name HA) (resid 11 and name HN) 1.8 0.0 4.2
assign (resid 12 and name HA) (resid 15 and name HN) 1.8 0.0 3.2
assign (resid 12 and name HA) (resid 16 and name HN) 1.8 0.0 3.2
assign (resid 12 and name HA) (resid 16 and name HB1) 1.8 0.0 4.2
assign (resid 12 and name HA) (resid 16 and name HB2) 1.8 0.0 3.2
assign (resid 12 and name HB) (resid 13 and name HN) 1.8 0.0 3.2
assign (resid 12 and name HB) (resid 15 and name HN) 1.8 0.0 4.2
assign (resid 12 and name HG#) (resid 11 and name HN) 1.8 0.0 3.2
assign (resid 12 and name HG#) (resid 13 and name HN) 1.8 0.0 1.7
assign (resid 12 and name HG#) (resid 13 and name HA) 1.8 0.0 1.7
assign (resid 12 and name HG#) (resid 13 and name HB1) 1.8 0.0 4.2 ! Manual Add
assign (resid 12 and name HG#) (resid 13 and name HB2) 1.8 0.0 3.2
assign (resid 12 and name HG#) (resid 16 and name HB#) 1.8 0.0 3.2
assign (resid 12 and name HG#) (resid 18 and name HA) 1.8 0.0 6.2
assign (resid 12 and name HG#) (resid 21 and name HA) 1.8 0.0 4.2
assign (resid 12 and name HG#) (resid 21 and name HB#) 1.8 0.0 4.2
!Glu-13
!intra
assign (resid 13 and name HA) (resid 13 and name HN) 1.8 0.0 1.7
assign (resid 13 and name HA) (resid 13 and name HB1) 1.8 0.0 1.1
assign (resid 13 and name HA) (resid 13 and name HB2) 1.8 0.0 1.1
assign (resid 13 and name HA) (resid 13 and name HG1) 1.8 0.0 1.7
assign (resid 13 and name HA) (resid 13 and name HG2) 1.8 0.0 3.2
assign (resid 13 and name HB1) (resid 13 and name HG2) 1.8 0.0 1.7
assign (resid 13 and name HB2) (resid 13 and name HG2) 1.8 0.0 1.7
assign (resid 13 and name HG1) (resid 13 and name HB1) 1.8 0.0 1.1
assign (resid 13 and name HG1) (resid 13 and name HB2) 1.8 0.0 1.1
assign (resid 13 and name HB1) (resid 13 and name HN) 1.8 0.0 1.7
assign (resid 13 and name HB2) (resid 13 and name HN) 1.8 0.0 1.7
assign (resid 13 and name HG1) (resid 13 and name HN) 1.8 0.0 3.2
assign (resid 13 and name HG2) (resid 13 and name HN) 1.8 0.0 3.2
!inter
assign (resid 13 and name HN) (resid 9 and name HA) 1.8 0.0 3.2
assign (resid 13 and name HN) (resid 9 and name HE2#) 1.8 0.0 3.2
assign (resid 13 and name HN) (resid 10 and name HA) 1.8 0.0 3.2
assign (resid 13 and name HN) (resid 11 and name HA) 1.8 0.0 3.2
assign (resid 13 and name HN) (resid 12 and name HN) 1.8 0.0 1.1
assign (resid 13 and name HN) (resid 12 and name HA) 1.8 0.0 1.7 ! ol w 12HA
assign (resid 13 and name HN) (resid 13 and name HB#) 1.8 0.0 3.2
assign (resid 13 and name HN) (resid 14 and name HG#) 1.8 0.0 4.5
assign (resid 13 and name HN) (resid 15 and name HN) 1.8 0.0 3.2
assign (resid 13 and name HN) (resid 15 and name HB#) 1.8 0.0 5.2
assign (resid 13 and name HN) (resid 15 and name HE#) 1.8 0.0 4.2
! assign (resid 13 and name HN) (resid 17 and name HA) 1.8 0.0 4.2
assign (resid 13 and name HA) (resid 9 and name HE2#) 1.8 0.0 4.2
assign (resid 13 and name HA) (resid 12 and name HG#) 1.8 0.0 3.2
! assign (resid 13 and name HA) (resid 17 and name HA) 1.8 0.0 4.2
assign (resid 13 and name HA) (resid 17 and name HD#) 1.8 0.0 4.2
assign (resid 13 and name HB#) (resid 12 and name HG#) 1.8 0.0 3.2
assign (resid 13 and name HB#) (resid 9 and name HE2#) 1.8 0.0 3.2
assign (resid 13 and name HG1) (resid 12 and name HG#) 1.8 0.0 4.2
assign (resid 13 and name HG2) (resid 12 and name HG#) 1.8 0.0 4.2
!Glu-14
!intra
assign (resid 14 and name HA) (resid 14 and name HN) 1.8 0.0 1.7
assign (resid 14 and name HA) (resid 14 and name HG1) 1.8 0.0 3.2
assign (resid 14 and name HA) (resid 14 and name HG2) 1.8 0.0 3.2
assign (resid 14 and name HB#) (resid 14 and name HN) 1.8 0.0 1.7
assign (resid 14 and name HB#) (resid 14 and name HA) 1.8 0.0 1.1
assign (resid 14 and name HB#) (resid 14 and name HG1) 1.8 0.0 1.7
assign (resid 14 and name HB#) (resid 14 and name HG2) 1.8 0.0 1.7
assign (resid 14 and name HN) (resid 14 and name HG1) 1.8 0.0 3.2
assign (resid 14 and name HN) (resid 14 and name HG2) 1.8 0.0 3.2
!inter
assign (resid 14 and name HN) (resid 10 and name HA) 1.8 0.0 3.2
assign (resid 14 and name HN) (resid 11 and name HA) 1.8 0.0 4.2
assign (resid 14 and name HN) (resid 12 and name HA) 1.8 0.0 4.2
assign (resid 14 and name HN) (resid 12 and name HN) 1.8 0.0 3.2
assign (resid 14 and name HN) (resid 13 and name HN) 1.8 0.0 1.1
assign (resid 14 and name HN) (resid 13 and name HA) 1.8 0.0 1.7
assign (resid 14 and name HN) (resid 13 and name HB1) 1.8 0.0 4.2
assign (resid 14 and name HN) (resid 13 and name HB2) 1.8 0.0 3.2
assign (resid 14 and name HN) (resid 13 and name HG1) 1.8 0.0 3.2
assign (resid 14 and name HN) (resid 13 and name HG2) 1.8 0.0 4.2
assign (resid 14 and name HN) (resid 15 and name HN) 1.8 0.0 1.1
assign (resid 14 and name HN) (resid 15 and name HA) 1.8 0.0 4.2
assign (resid 14 and name HN) (resid 15 and name HD#) 1.8 0.0 4.2
assign (resid 14 and name HN) (resid 15 and name HE#) 1.8 0.0 4.2
assign (resid 14 and name HB#) (resid 15 and name HN) 1.8 0.0 3.2
!Phe-15
!intra
assign (resid 15 and name HN) (resid 15 and name HA) 1.8 0.0 1.7
assign (resid 15 and name HN) (resid 15 and name HB1) 1.8 0.0 2.5
assign (resid 15 and name HN) (resid 15 and name HB2) 1.8 0.0 3.2
assign (resid 15 and name HB1) (resid 15 and name HA) 1.8 0.0 1.7
assign (resid 15 and name HB2) (resid 15 and name HA) 1.8 0.0 1.7
!inter
assign (resid 15 and name HN) (resid 14 and name HA) 1.8 0.0 1.7
assign (resid 15 and name HN) (resid 14 and name HB#) 1.8 0.0 1.7
assign (resid 15 and name HN) (resid 14 and name HG1) 1.8 0.0 3.5
assign (resid 15 and name HN) (resid 14 and name HG2) 1.8 0.0 3.5
assign (resid 15 and name HB#) (resid 16 and name HD#) 1.8 0.0 3.2
assign (resid 15 and name HN) (resid 16 and name HB#) 1.8 0.0 3.2
!Leu-16
!intra
assign (resid 16 and name HA) (resid 16 and name HG) 1.8 0.0 1.7
assign (resid 16 and name HN) (resid 16 and name HA) 1.8 0.0 1.7
assign (resid 16 and name HN) (resid 16 and name HB1) 1.8 0.0 3.2
assign (resid 16 and name HN) (resid 16 and name HB2) 1.8 0.0 1.7
assign (resid 16 and name HB1) (resid 16 and name HA) 1.8 0.0 1.7
assign (resid 16 and name HB2) (resid 16 and name HA) 1.8 0.0 1.7
assign (resid 16 and name HB1) (resid 16 and name HG) 1.8 0.0 1.7
assign (resid 16 and name HB2) (resid 16 and name HG) 1.8 0.0 1.7
assign (resid 16 and name HB1) (resid 16 and name HD#) 1.8 0.0 1.1
assign (resid 16 and name HB2) (resid 16 and name HD#) 1.8 0.0 1.1
assign (resid 16 and name HN) (resid 16 and name HG) 1.8 0.0 3.2
assign (resid 16 and name HD#) (resid 16 and name HA) 1.8 0.0 1.7
assign (resid 16 and name HG) (resid 16 and name HD#) 1.8 0.0 1.1
!inter
!!!assign (resid 16 and name HN) (resid 12 and name HB) 1.8 0.0 4.2
assign (resid 16 and name HB1) (resid 13 and name HA) 1.8 0.0 4.2
assign (resid 16 and name HB2) (resid 13 and name HA) 1.8 0.0 4.2
!!assign (resid 16 and name HD#) (resid 13 and name HA) 1.8 0.0 1.7
assign (resid 16 and name HN) (resid 14 and name HA) 1.8 0.0 4.2
assign (resid 16 and name HN) (resid 14 and name HN) 1.8 0.0 3.2
assign (resid 16 and name HN) (resid 15 and name HB1) 1.8 0.0 3.2
assign (resid 16 and name HN) (resid 15 and name HB2) 1.8 0.0 3.2
!!assign (resid 16 and name HD#) (resid 18 and name HB#) 1.8 0.0 3.2
assign (resid 16 and name HA) (resid 17 and name HD#) 1.8 0.0 1.7
assign (resid 16 and name HB2) (resid 19 and name HB) 1.8 0.0 4.2 !add 201404
assign (resid 16 and name HB1) (resid 19 and name HB) 1.8 0.0 5.2 !add 201404
!Pro-17
!intra
assign (resid 17 and name HA) (resid 17 and name HD1) 1.8 0.0 3.2
assign (resid 17 and name HA) (resid 17 and name HD2) 1.8 0.0 3.2
assign (resid 17 and name HB1) (resid 17 and name HD2) 1.8 0.0 3.2
assign (resid 17 and name HB2) (resid 17 and name HD2) 1.8 0.0 3.2
assign (resid 17 and name HB1) (resid 17 and name HD1) 1.8 0.0 2.5
assign (resid 17 and name HB2) (resid 17 and name HD1) 1.8 0.0 2.5
assign (resid 17 and name HG1) (resid 17 and name HA) 1.8 0.0 3.2
assign (resid 17 and name HG2) (resid 17 and name HA) 1.8 0.0 3.2
assign (resid 17 and name HG1) (resid 17 and name HB1) 1.8 0.0 1.7
assign (resid 17 and name HG2) (resid 17 and name HB1) 1.8 0.0 1.7
assign (resid 17 and name HG1) (resid 17 and name HB2) 1.8 0.0 1.7
assign (resid 17 and name HG2) (resid 17 and name HB2) 1.8 0.0 1.7
assign (resid 17 and name HG1) (resid 17 and name HD1) 1.8 0.0 1.1
assign (resid 17 and name HG2) (resid 17 and name HD1) 1.8 0.0 1.1
assign (resid 17 and name HG1) (resid 17 and name HD2) 1.8 0.0 1.1
assign (resid 17 and name HG2) (resid 17 and name HD2) 1.8 0.0 1.1
!inter
assign (resid 17 and name HA) (resid 12 and name HG#) 1.8 0.0 5.2
assign (resid 17 and name HD1) (resid 15 and name HA) 1.8 0.0 4.2
assign (resid 17 and name HD2) (resid 15 and name HA) 1.8 0.0 5.2
assign (resid 17 and name HD1) (resid 16 and name HA) 1.8 0.0 1.7
assign (resid 17 and name HD2) (resid 16 and name HA) 1.8 0.0 1.7
assign (resid 17 and name HD#) (resid 16 and name HG) 1.8 0.0 4.2
assign (resid 17 and name HA) (resid 18 and name HA) 1.8 0.0 3.2
assign (resid 17 and name HA) (resid 18 and name HN) 1.8 0.0 1.7
assign (resid 17 and name HA) (resid 19 and name HN) 1.8 0.0 4.2
!Asp-18
!intra
assign (resid 18 and name HA) (resid 18 and name HB1) 1.8 0.0 1.1
assign (resid 18 and name HA) (resid 18 and name HB2) 1.8 0.0 1.1
assign (resid 18 and name HA) (resid 18 and name HN) 1.8 0.0 1.7
assign (resid 18 and name HB1) (resid 18 and name HN) 1.8 0.0 1.7
assign (resid 18 and name HB2) (resid 18 and name HN) 1.8 0.0 1.7
!inter
assign (resid 18 and name HN) (resid 16 and name HA) 1.8 0.0 4.5
assign (resid 18 and name HN) (resid 17 and name HA) 1.8 0.0 1.7
assign (resid 18 and name HN) (resid 17 and name HG#) 1.8 0.0 1.7
assign (resid 18 and name HN) (resid 17 and name HB#) 1.8 0.0 4.2
assign (resid 18 and name HN) (resid 17 and name HD1) 1.8 0.0 4.2
assign (resid 18 and name HN) (resid 17 and name HD2) 1.8 0.0 3.2
assign (resid 18 and name HN) (resid 17 and name HB#) 1.8 0.0 3.2
assign (resid 18 and name HN) (resid 19 and name HG#) 1.8 0.0 3.2
assign (resid 18 and name HN) (resid 19 and name HN) 1.8 0.0 1.7
!Val-19
!intra
assign (resid 19 and name HA) (resid 19 and name HG#) 1.8 0.0 1.7 ! overlap with other signal
assign (resid 19 and name HB) (resid 19 and name HG#) 1.8 0.0 1.1
assign (resid 19 and name HA) (resid 19 and name HB) 1.8 0.0 1.7
assign (resid 19 and name HA) (resid 19 and name HN) 1.8 0.0 1.7
assign (resid 19 and name HB) (resid 19 and name HN) 1.8 0.0 1.7
assign (resid 19 and name HG#) (resid 19 and name HN) 1.8 0.0 1.7
!inter
assign (resid 19 and name HB) (resid 12 and name HG#) 1.8 0.0 4.2
assign (resid 19 and name HN) (resid 17 and name HA) 1.8 0.0 4.2
!!!assign (resid 19 and name HN) (resid 17 and name HG#) 1.8 0.0 4.2
assign (resid 19 and name HN) (resid 18 and name HA) 1.8 0.0 1.7
assign (resid 19 and name HN) (resid 18 and name HB1) 1.8 0.0 3.2
assign (resid 19 and name HN) (resid 18 and name HB2) 1.8 0.0 3.2
assign (resid 19 and name HA) (resid 20 and name HN) 1.8 0.0 1.7 ! double emerge
assign (resid 19 and name HN) (resid 20 and name HN) 1.8 0.0 3.2
!!!assign (resid 19 and name HA) (resid 20 and name HB#) 1.8 0.0 3.2
!assign (resid 19 and name HG#) (resid 20 and name HA) 1.8 0.0 3.2
assign (resid 19 and name HN) (resid 20 and name HB#) 1.8 0.0 4.2
!!!assign (resid 19 and name HN) (resid 21 and name HG#) 1.8 0.0 4.2
! violated 20110922
assign (resid 19 and name HN) (resid 16 and name HB1) 1.8 0.0 4.5
assign (resid 19 and name HN) (resid 16 and name HB2) 1.8 0.0 4.5
!!!assign (resid 19 and name HB) (resid 21 and name HG#) 1.8 0.0 4.2 ! only HG2
assign (resid 19 and name HB) (resid 16 and name HG#) 1.8 0.0 4.2
!Ala-20
!intra
assign (resid 20 and name HN) (resid 20 and name HA) 1.8 0.0 1.7
assign (resid 20 and name HA) (resid 20 and name HB#) 1.8 0.0 1.1
assign (resid 20 and name HB#) (resid 20 and name HN) 1.8 0.0 1.1
!inter
assign (resid 20 and name HN) (resid 19 and name HB) 1.8 0.0 3.2
assign (resid 20 and name HB#) (resid 21 and name HD#) 1.8 0.0 1.7
! better not modify
!assign (resid 20 and name HB#) (resid 22 and name HN) 1.8 0.0 3.2
assign (resid 20 and name HB#) (resid 23 and name HB#) 1.8 0.0 3.2
assign (resid 20 and name HN) (resid 23 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 20 and name HN) (resid 22 and name HN) 1.8 0.0 4.2 !add 201404
!Pro-21
!intra
assign (resid 21 and name HA) (resid 21 and name HB#) 1.8 0.0 1.1
assign (resid 21 and name HB#) (resid 21 and name HG#) 1.8 0.0 1.7
assign (resid 21 and name HD#) (resid 21 and name HB#) 1.8 0.0 1.7
assign (resid 21 and name HD#) (resid 21 and name HA) 1.8 0.0 3.2
assign (resid 21 and name HD#) (resid 21 and name HG#) 1.8 0.0 1.7 ! overlap HG2
assign (resid 21 and name HG#) (resid 21 and name HA) 1.8 0.0 1.7 ! overlap
!inter
assign (resid 21 and name HA) (resid 8 and name HB#) 1.8 0.0 3.2
assign (resid 21 and name HA) (resid 24 and name HG1#) 1.8 0.0 3.2
assign (resid 21 and name HA) (resid 24 and name HG2#) 1.8 0.0 3.2
! assign (resid 21 and name HB#) (resid 7 and name HD1#) 1.8 0.0 5.2
assign (resid 21 and name HB#) (resid 8 and name HN) 1.8 0.0 4.2
assign (resid 21 and name HB#) (resid 8 and name HB#) 1.8 0.0 3.2
assign (resid 21 and name HB#) (resid 17 and name HG#) 1.8 0.0 5.5
assign (resid 21 and name HB#) (resid 17 and name HD#) 1.8 0.0 5.2
assign (resid 21 and name HB#) (resid 19 and name HG#) 1.8 0.0 5.2
assign (resid 21 and name HB#) (resid 20 and name HA) 1.8 0.0 3.2
assign (resid 21 and name HB#) (resid 20 and name HB#) 1.8 0.0 3.2
! assign (resid 21 and name HB#) (resid 22 and name HN) 1.8 0.0 3.2 ! repeated
assign (resid 21 and name HB#) (resid 23 and name HN) 1.8 0.0 3.2
assign (resid 21 and name HG#) (resid 12 and name HG#) 1.8 0.0 3.2
! assign (resid 21 and name HG#) (resid 17 and name HA) 1.8 0.0 5.2
assign (resid 21 and name HG#) (resid 17 and name HG#) 1.8 0.0 5.5
assign (resid 21 and name HG#) (resid 19 and name HN) 1.8 0.0 5.2
assign (resid 21 and name HD#) (resid 12 and name HG#) 1.8 0.0 3.2
assign (resid 21 and name HD#) (resid 20 and name HA) 1.8 0.0 1.7
!assign (resid 21 and name HD#) (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 3.2
assign (resid 21 and name HA) (resid 23 and name HA) 1.8 0.0 4.5 !add 201404
!Ala-22
!intra
assign (resid 22 and name HA) (resid 22 and name HB#) 1.8 0.0 1.1
assign (resid 22 and name HA) (resid 22 and name HN) 1.8 0.0 1.7
assign (resid 22 and name HB#) (resid 22 and name HN) 1.8 0.0 1.1
!inter
assign (resid 22 and name HN) (resid 20 and name HN) 1.8 0.0 4.2
assign (resid 22 and name HN) (resid 20 and name HA) 1.8 0.0 3.2
assign (resid 22 and name HN) (resid 20 and name HB#) 1.8 0.0 1.7
assign (resid 22 and name HN) (resid 21 and name HA) 1.8 0.0 1.7 !olw 22HA
assign (resid 22 and name HN) (resid 21 and name HD#) 1.8 0.0 1.7
assign (resid 22 and name HN) (resid 21 and name HG2) 1.8 0.0 3.2
assign (resid 22 and name HN) (resid 21 and name HG1) 1.8 0.0 3.2
assign (resid 22 and name HN) (resid 21 and name HB#) 1.8 0.0 1.7
assign (resid 22 and name HN) (resid 23 and name HB#) 1.8 0.0 3.2
assign (resid 22 and name HN) (resid 24 and name HN) 1.8 0.0 3.2
assign (resid 22 and name HN) (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 3.2
assign (resid 22 and name HA) (resid 23 and name HB#) 1.8 0.0 4.2
assign (resid 22 and name HB#) (resid 20 and name HA) 1.8 0.0 3.2
assign (resid 22 and name HB#) (resid 23 and name HN) 1.8 0.0 1.7
assign (resid 22 and name HB#) (resid 23 and name HA) 1.8 0.0 3.2
assign (resid 22 and name HB#) (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 3.2
!Asp-23
!intra
assign (resid 23 and name HA) (resid 23 and name HB#) 1.8 0.0 1.7
assign (resid 23 and name HB#) (resid 23 and name HN) 1.8 0.0 1.7
assign (resid 23 and name HN) (resid 23 and name HA) 1.8 0.0 1.7
!inter
assign (resid 23 and name HN) (resid 20 and name HN) 1.8 0.0 3.5
assign (resid 23 and name HN) (resid 22 and name HA) 1.8 0.0 1.7
assign (resid 23 and name HN) (resid 24 and name HA) 1.8 0.0 3.2
assign (resid 23 and name HN) (resid 24 and name HB) 1.8 0.0 4.2
assign (resid 23 and name HN) (resid 24 and name HN) 1.8 0.0 1.1
assign (resid 22 and name HN) (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 3.2
assign (resid 23 and name HN) (resid 26 and name HN) 1.8 0.0 5.2
assign (resid 23 and name HB1) (resid 20 and name HB#) 1.8 0.0 3.2
assign (resid 23 and name HB2) (resid 20 and name HB#) 1.8 0.0 4.2
!Val-24
!intra
assign (resid 24 and name HA) (resid 24 and name HB) 1.8 0.0 1.7
assign (resid 24 and name HA) (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 1.1
assign (resid 24 and name HB) (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 1.1
assign (resid 24 and name HB) (resid 24 and name HN) 1.8 0.0 1.7
assign (resid 24 and name HN) (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 1.7
!inter
assign (resid 24 and name HN) (resid 22 and name HA) 1.8 0.0 3.2
assign (resid 24 and name HN) (resid 22 and name HB#) 1.8 0.0 3.2
assign (resid 24 and name HN) (resid 23 and name HA) 1.8 0.0 1.7
assign (resid 24 and name HN) (resid 23 and name HB#) 1.8 0.0 3.2
assign (resid 24 and name HA) (resid 25 and name HN) 1.8 0.0 1.7
assign (resid 24 and name HN) (resid 25 and name HN) 1.8 0.0 3.2
!Asp-25
!intra
assign (resid 25 and name HA) (resid 25 and name HB#) 1.8 0.0 1.1
assign (resid 25 and name HA) (resid 25 and name HN) 1.8 0.0 1.7
assign (resid 25 and name HB#) (resid 25 and name HN) 1.8 0.0 1.7
!inter
!!!assign (resid 25 and name HB#) (resid 24 and name HA) 1.8 0.0 3.2
assign (resid 25 and name HN) (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 3.2
assign (resid 25 and name HA) (resid 26 and name HN) 1.8 0.0 1.7
!double emerge
assign (resid 25 and name HB#) (resid 26 and (name HG1# or name HG2#)) 1.8 0.0 3.2
assign (resid 25 and name HN) (resid 28 and name HB#) 1.8 0.0 3.2 ! HB1 certain
assign (resid 25 and name HN) (resid 28 and name HN) 1.8 0.0 4.2
!Val-26 ( HG2# )
!intra
assign (resid 26 and name HA) (resid 26 and name HN) 1.8 0.0 3.2
assign (resid 26 and name HA) (resid 26 and name HB) 1.8 0.0 1.1
assign (resid 26 and name HA) (resid 26 and name HG2#) 1.8 0.0 1.7
assign (resid 26 and name HA) (resid 26 and name HG1#) 1.8 0.0 1.7
assign (resid 26 and name HB) (resid 26 and name HN) 1.8 0.0 3.2
assign (resid 26 and name HN) (resid 26 and name HG1#) 1.8 0.0 1.7
assign (resid 26 and name HN) (resid 26 and name HG2#) 1.8 0.0 1.7
assign (resid 26 and (name HG1# or name HG2#)) (resid 26 and name HB) 1.8 0.0 1.7
!inter
assign (resid 26 and (name HG1# or name HG2#)) (resid 4 and name HB#) 1.8 0.0 4.2
!Key influence violated 20110920
!!!assign (resid 26 and name HN) (resid 24 and name HB) 1.8 0.0 3.2
assign (resid 26 and name HN) (resid 28 and name HN) 1.8 0.0 3.2
! assign (resid 26 and name HA) (resid 69 and name HB) 1.8 0.0 4.2
! 20111101
!!assign (resid 26 and (name HG2# or name HG1#)) (resid 69 and name HG2#) 1.8 0.0 3.2
!only strength unsure
!!assign (resid 26 and (name HG2# or name HG1#)) (resid 69 and name HG1#) 1.8 0.0 3.2
!max 3.2 HG12
!assign (resid 26 and (name HG2# or name HG1#)) (resid 73 and name HB2) 1.8 0.0 4.2 ! only
!Asp-27
!intra
assign (resid 27 and name HA) (resid 27 and name HB2) 1.8 0.0 1.7
assign (resid 27 and name HA) (resid 27 and name HB1) 1.8 0.0 1.7
assign (resid 27 and name HA) (resid 27 and name HN) 1.8 0.0 3.2
assign (resid 27 and name HB2) (resid 27 and name HN) 1.8 0.0 1.7
assign (resid 27 and name HB1) (resid 27 and name HN) 1.8 0.0 3.2
!inter
assign (resid 27 and name HN) (resid 26 and name HA) 1.8 0.0 3.2
assign (resid 27 and name HN) (resid 25 and name HB#) 1.8 0.0 3.2
assign (resid 27 and name HN) (resid 26 and name HG1#) 1.8 0.0 3.2
assign (resid 27 and name HN) (resid 26 and name HG2#) 1.8 0.0 3.2
assign (resid 27 and name HN) (resid 28 and name HB1) 1.8 0.0 3.2
assign (resid 27 and name HN) (resid 28 and name HB2) 1.8 0.0 3.2
!!!need checking 20110920
assign (resid 27 and name HN) (resid 28 and name HN) 1.8 0.0 1.7
assign (resid 27 and name HA) (resid 68 and name HB#) 1.8 0.0 4.2
!Leu-28
!intra
assign (resid 28 and name HA) (resid 28 and name HN) 1.8 0.0 3.2
assign (resid 28 and name HA) (resid 28 and name HB1) 1.8 0.0 1.7
assign (resid 28 and name HA) (resid 28 and name HB2) 1.8 0.0 1.7
assign (resid 28 and name HA) (resid 28 and name HG) 1.8 0.0 1.7
assign (resid 28 and name HA) (resid 28 and name HD2#) 1.8 0.0 3.2
assign (resid 28 and name HD1#) (resid 28 and name HA) 1.8 0.0 3.2
assign (resid 28 and name HB2) (resid 28 and name HN) 1.8 0.0 1.7
assign (resid 28 and name HB1) (resid 28 and name HN) 1.8 0.0 1.7
assign (resid 28 and name HB1) (resid 28 and name HG) 1.8 0.0 1.7
assign (resid 28 and name HB2) (resid 28 and name HG) 1.8 0.0 1.7
assign (resid 28 and name HB2) (resid 28 and name HD1#) 1.8 0.0 1.7
assign (resid 28 and name HB1) (resid 28 and name HD1#) 1.8 0.0 1.7
assign (resid 28 and name HG) (resid 28 and name HD#) 1.8 0.0 1.1
assign (resid 28 and name HG) (resid 28 and name HD1#) 1.8 0.0 1.1
assign (resid 28 and name HN) (resid 28 and name HD1#) 1.8 0.0 3.2
assign (resid 28 and name HN) (resid 28 and name HD2#) 1.8 0.0 3.2
!inter
assign (resid 28 and name HB1) (resid 25 and name HB#) 1.8 0.0 3.2
assign (resid 28 and name HB2) (resid 25 and name HB#) 1.8 0.0 3.2
! indeed need checking 20110920
assign (resid 28 and (name HD1# or name HD2#)) (resid 29 and name HB#) 1.8 0.0 4.2
assign (resid 28 and name HN) (resid 25 and name HB#) 1.8 0.0 3.2
assign (resid 28 and name HN) (resid 27 and name HB1) 1.8 0.0 3.2
assign (resid 28 and name HN) (resid 27 and name HB2) 1.8 0.0 3.2
assign (resid 28 and name HN) (resid 27 and name HA) 1.8 0.0 1.7
!assign (resid 28 and name HA) (resid 29 and name HN) 1.8 0.0 3.2
assign (resid 28 and name HB2) (resid 29 and name HA) 1.8 0.0 4.2 ! double emerge
assign (resid 28 and name HB1) (resid 29 and name HA) 1.8 0.0 4.2
assign (resid 28 and (name HD1# or name HD2#)) (resid 29 and name HA) 1.8 0.0 4.2
!Asp-29
!intra
assign (resid 29 and name HB2) (resid 29 and name HA) 1.8 0.0 1.7
assign (resid 29 and name HB1) (resid 29 and name HA) 1.8 0.0 1.7
assign (resid 29 and name HN) (resid 29 and name HA) 1.8 0.0 1.7
assign (resid 29 and name HB1) (resid 29 and name HN) 1.8 0.0 2.5
assign (resid 29 and name HB2) (resid 29 and name HN) 1.8 0.0 2.5
!inter
assign (resid 29 and name HN) (resid 28 and name HD#) 1.8 0.0 1.7
assign (resid 29 and name HN) (resid 28 and name HN) 1.8 0.0 3.2
assign (resid 29 and name HN) (resid 28 and name HB1) 1.8 0.0 3.2
assign (resid 29 and name HN) (resid 28 and name HB2) 1.8 0.0 3.2
assign (resid 29 and name HN) (resid 28 and name HG) 1.8 0.0 3.2
assign (resid 29 and name HN) (resid 30 and name HN) 1.8 0.0 3.2
assign (resid 29 and name HN) (resid 31 and name HN) 1.8 0.0 3.2
assign (resid 29 and name HN) (resid 33 and name HD2#) 1.8 0.0 5.2
!Leu-30
!intra
assign (resid 30 and name HA) (resid 30 and name HB2) 1.8 0.0 1.7
assign (resid 30 and name HA) (resid 30 and name HB1) 1.8 0.0 1.7
assign (resid 30 and name HA) (resid 30 and (name HD1# or name HD2#)) 1.8 0.0 1.7
assign (resid 30 and name HB1) (resid 30 and name HN) 1.8 0.0 3.2
assign (resid 30 and name HB2) (resid 30 and name HN) 1.8 0.0 3.2
assign (resid 30 and name HB1) (resid 30 and (name HD1# or name HD2#)) 1.8 0.0 1.1
assign (resid 30 and name HB2) (resid 30 and (name HD1# or name HD2#)) 1.8 0.0 1.1
assign (resid 30 and (name HD1# or name HD2#)) (resid 30 and name HG) 1.8 0.0 1.7
assign (resid 30 and (name HD1# or name HD2#)) (resid 30 and name HN) 1.8 0.0 3.2 ! HD2#
assign (resid 30 and name HB1) (resid 30 and name HG) 1.8 0.0 1.7
assign (resid 30 and name HB2) (resid 30 and name HG) 1.8 0.0 1.7
assign (resid 30 and name HN) (resid 30 and name HG) 1.8 0.0 1.7
assign (resid 30 and name HG) (resid 30 and name HA) 1.8 0.0 1.7
!inter
assign (resid 30 and name HN) (resid 28 and name HA) 1.8 0.0 4.2
assign (resid 30 and name HN) (resid 29 and name HB#) 1.8 0.0 3.2
assign (resid 30 and name HN) (resid 29 and name HA) 1.8 0.0 1.7
assign (resid 30 and name HN) (resid 31 and name HB) 1.8 0.0 5.2
assign (resid 30 and name HN) (resid 31 and name HN) 1.8 0.0 3.2
assign (resid 30 and name HN) (resid 32 and name HN) 1.8 0.0 4.2
assign (resid 30 and name HN) (resid 69 and name HD1#) 1.8 0.0 4.5
assign (resid 30 and name HA) (resid 28 and name HA) 1.8 0.0 4.5
assign (resid 30 and name HA) (resid 31 and name HB) 1.8 0.0 4.5
assign (resid 30 and name HA) (resid 33 and name HN) 1.8 0.0 3.2
assign (resid 30 and name HB#) (resid 31 and name HG#) 1.8 0.0 3.2
assign (resid 30 and name HB2) (resid 36 and name HD1#) 1.8 0.0 4.2
assign (resid 30 and name HB1) (resid 36 and name HD1#) 1.8 0.0 4.5
assign (resid 30 and name HB#) (resid 87 and name HE#) 1.8 0.0 7.2
assign (resid 30 and (name HD1# or name HD2#)) (resid 28 and (name HD1# or name HD2#)) 1.8 0.0 3.2
assign (resid 30 and (name HD1# or name HD2#)) (resid 29 and name HA) 1.8 0.0 3.2
assign (resid 30 and (name HD1# or name HD2#)) (resid 36 and name HG2#) 1.8 0.0 4.2
assign (resid 30 and (name HD1# or name HD2#)) (resid 36 and name HD1#) 1.8 0.0 3.2
assign (resid 30 and (name HD1# or name HD2#)) (resid 68 and name HA) 1.8 0.0 3.2
assign (resid 30 and (name HD1# or name HD2#)) (resid 69 and name HN) 1.8 0.0 3.2
assign (resid 30 and name HG) (resid 29 and name HA) 1.8 0.0 4.2
assign (resid 30 and name HG) (resid 68 and name HA) 1.8 0.0 3.2
assign (resid 30 and name HG) (resid 69 and name HN) 1.8 0.0 3.2
assign (resid 30 and name HG) (resid 69 and name HD1#) 1.8 0.0 4.2
!Val-31
!intra
assign (resid 31 and name HA) (resid 31 and (name HG1# or name HG2#)) 1.8 0.0 1.7
assign (resid 31 and name HA) (resid 31 and name HN) 1.8 0.0 3.2
assign (resid 31 and name HB) (resid 31 and (name HG1# or name HG2#)) 1.8 0.0 1.1
assign (resid 31 and name HA) (resid 31 and name HB) 1.8 0.0 1.7
assign (resid 31 and name HB) (resid 31 and name HN) 1.8 0.0 1.7
assign (resid 31 and name HN) (resid 31 and (name HG1# or name HG2#)) 1.8 0.0 1.7
!inter
assign (resid 31 and name HN) (resid 29 and name HA) 1.8 0.0 3.2
assign (resid 31 and name HN) (resid 30 and name HA) 1.8 0.0 1.7
assign (resid 31 and name HN) (resid 30 and (name HD1# or name HD2#)) 1.8 0.0 3.2
assign (resid 31 and name HN) (resid 30 and name HB1) 1.8 0.0 3.2
assign (resid 31 and name HN) (resid 30 and name HB2) 1.8 0.0 3.2
assign (resid 31 and name HN) (resid 32 and name HN) 1.8 0.0 1.1
assign (resid 31 and name HN) (resid 32 and name HB#) 1.8 0.0 3.2
assign (resid 31 and name HN) (resid 33 and name HN) 1.8 0.0 3.2
assign (resid 31 and name HA) (resid 32 and name HN) 1.8 0.0 1.7
assign (resid 31 and name HA) (resid 33 and name HN) 1.8 0.0 3.2
assign (resid 31 and name HA) (resid 36 and name HB) 1.8 0.0 6.2
assign (resid 31 and name HA) (resid 36 and (name HD1# or name HG2#)) 1.8 0.0 4.2
assign (resid 31 and name HA) (resid 66 and name HN) 1.8 0.0 5.2
assign (resid 31 and name HA) (resid 68 and name HN) 1.8 0.0 5.2
assign (resid 31 and name HB) (resid 30 and name HB#) 1.8 0.0 4.5
assign (resid 31 and name HB) (resid 30 and name HD#) 1.8 0.0 5.2
assign (resid 31 and name HB) (resid 32 and name HN) 1.8 0.0 3.2
assign (resid 31 and name HB) (resid 32 and name HA) 1.8 0.0 4.2
! assign (resid 31 and name HB) (resid 36 and name HN) 1.8 0.0 6.2
! assign (resid 31 and name HB) (resid 36 and name HA) 1.8 0.0 5.2
assign (resid 31 and name HB) (resid 67 and name HG#) 1.8 0.0 4.2
assign (resid 31 and name HB) (resid 67 and name HD#) 1.8 0.0 4.2
assign (resid 31 and name HG#) (resid 30 and name HB#) 1.8 0.0 3.2
assign (resid 31 and name HG#) (resid 66 and name HN) 1.8 0.0 4.5
assign (resid 31 and name HG#) (resid 67 and name HG#) 1.8 0.0 4.2
assign (resid 31 and name HG#) (resid 67 and name HD#) 1.8 0.0 4.2
assign (resid 31 and name HG#) (resid 68 and name HN) 1.8 0.0 4.2
!Asp-32
!inter
assign (resid 32 and name HA) (resid 32 and name HB#) 1.8 0.0 1.1
assign (resid 32 and name HA) (resid 32 and name HN) 1.8 0.0 1.7
assign (resid 32 and name HB#) (resid 32 and name HN) 1.8 0.0 3.2
!inter
assign (resid 32 and name HN) (resid 30 and name HB#) 1.8 0.0 4.2
assign (resid 32 and name HN) (resid 31 and name HA) 1.8 0.0 1.7
assign (resid 32 and name HN) (resid 31 and (name HG1# or name HG2#)) 1.8 0.0 1.7
assign (resid 32 and name HN) (resid 33 and name HN) 1.8 0.0 1.7
assign (resid 32 and name HN) (resid 33 and name HB#) 1.8 0.0 3.2
assign (resid 32 and name HN) (resid 34 and name HN) 1.8 0.0 3.2
assign (resid 32 and name HN) (resid 67 and name HD#) 1.8 0.0 4.5
!Asn-33
!intra
assign (resid 33 and name HN) (resid 33 and name HA) 1.8 0.0 1.1
assign (resid 33 and name HB1) (resid 33 and name HA) 1.8 0.0 1.7
assign (resid 33 and name HB2) (resid 33 and name HA) 1.8 0.0 1.1
assign (resid 33 and name HB1) (resid 33 and name HN) 1.8 0.0 3.2
assign (resid 33 and name HB2) (resid 33 and name HN) 1.8 0.0 3.2
!inter
assign (resid 33 and name HN) (resid 32 and name HA) 1.8 0.0 1.7
assign (resid 33 and name HN) (resid 32 and name HB#) 1.8 0.0 1.7
assign (resid 33 and name HN) (resid 34 and name HN) 1.8 0.0 1.1
assign (resid 33 and name HN) (resid 30 and name HA) 1.8 0.0 3.2
assign (resid 33 and name HN) (resid 35 and name HN) 1.8 0.0 4.2
assign (resid 33 and name HN) (resid 35 and name HB) 1.8 0.0 5.2
assign (resid 33 and name HB1) (resid 28 and (name HD1# or name HD2#)) 1.8 0.0 4.5
assign (resid 33 and name HB2) (resid 28 and (name HD1# or name HD2#)) 1.8 0.0 6.2
assign (resid 33 and name HB1) (resid 34 and name HA#) 1.8 0.0 4.2
assign (resid 33 and name HB2) (resid 34 and name HA#) 1.8 0.0 3.2
assign (resid 33 and name HB1) (resid 36 and name HN) 1.8 0.0 4.2
assign (resid 33 and name HB2) (resid 36 and name HN) 1.8 0.0 4.2
!Gly-34
!intra
assign (resid 34 and name HA1) (resid 34 and name HN) 1.8 0.0 1.7
assign (resid 34 and name HA2) (resid 34 and name HN) 1.8 0.0 1.7
!inter
assign (resid 34 and name HN) (resid 31 and name HA) 1.8 0.0 1.7
assign (resid 34 and name HN) (resid 31 and (name HG1# or name HG2#)) 1.8 0.0 3.2
assign (resid 34 and name HN) (resid 32 and name HA) 1.8 0.0 3.2
assign (resid 34 and name HN) (resid 32 and name HN) 1.8 0.0 3.2
!! assign (resid 34 and name HN) (resid 32 and name HB#) 1.8 0.0 3.2
! check 20111102
assign (resid 34 and name HN) (resid 33 and name HB1) 1.8 0.0 3.2
assign (resid 34 and name HN) (resid 33 and name HB2) 1.8 0.0 3.2
assign (resid 34 and name HN) (resid 33 and name HA) 1.8 0.0 1.7
assign (resid 34 and name HN) (resid 35 and name HN) 1.8 0.0 3.2
assign (resid 34 and name HA#) (resid 35 and name HN) 1.8 0.0 1.1
! assign (resid 34 and name HA#) (resid 35 and name HB) 1.8 0.0 3.2
! check 20111102
!Val-35
!intra
assign (resid 35 and name HA) (resid 35 and name HN) 1.8 0.0 1.7
assign (resid 35 and name HA) (resid 35 and name HB) 1.8 0.0 1.7 !double emerge
assign (resid 35 and name HN) (resid 35 and name HB) 1.8 0.0 1.7
assign (resid 35 and name HA) (resid 35 and name HG1#) 1.8 0.0 1.7
assign (resid 35 and name HA) (resid 35 and name HG2#) 1.8 0.0 1.7
assign (resid 35 and name HB) (resid 35 and name HN) 1.8 0.0 3.2
assign (resid 35 and name HB) (resid 35 and name HG1#) 1.8 0.0 1.1
assign (resid 35 and name HB) (resid 35 and name HG2#) 1.8 0.0 1.1
assign (resid 35 and name HG2#) (resid 35 and name HN) 1.8 0.0 2.5
assign (resid 35 and name HN) (resid 35 and name HG1#) 1.8 0.0 2.5
assign (resid 35 and name HG1#) (resid 35 and name HA) 1.8 0.0 1.1
assign (resid 35 and name HG2#) (resid 35 and name HA) 1.8 0.0 1.1
!inter
assign (resid 35 and name HN) (resid 31 and name HA) 1.8 0.0 4.2
assign (resid 35 and name HN) (resid 32 and name HN) 1.8 0.0 5.2
assign (resid 35 and name HN) (resid 33 and name HA) 1.8 0.0 3.2
assign (resid 35 and name HN) (resid 33 and name HB1) 1.8 0.0 4.2
assign (resid 35 and name HN) (resid 33 and name HB2) 1.8 0.0 4.2
assign (resid 35 and name HN) (resid 33 and name HD2#) 1.8 0.0 4.2
assign (resid 35 and name HN) (resid 34 and name HA#) 1.8 0.0 1.7
assign (resid 35 and name HN) (resid 36 and name HN) 1.8 0.0 1.1
assign (resid 35 and name HN) (resid 36 and name HB) 1.8 0.0 4.5
assign (resid 35 and name HN) (resid 36 and name HG1#) 1.8 0.0 4.5
assign (resid 35 and name HN) (resid 38 and name HN) 1.8 0.0 5.2
assign (resid 35 and name HN) (resid 39 and name HB#) 1.8 0.0 5.2
assign (resid 35 and name HA) (resid 37 and name HN) 1.8 0.0 3.2
assign (resid 35 and name HA) (resid 39 and name HN) 1.8 0.0 3.2
assign (resid 35 and name HA) (resid 38 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 35 and name HB) (resid 36 and name HN) 1.8 0.0 3.2
assign (resid 35 and (name HG1# or name HG2#)) (resid 15 and name HA) 1.8 0.0 4.5
assign (resid 35 and (name HG1# or name HG2#)) (resid 15 and name HB1) 1.8 0.0 4.2
assign (resid 35 and (name HG1# or name HG2#)) (resid 15 and name HB2) 1.8 0.0 4.2
assign (resid 35 and (name HG1# or name HG2#)) (resid 15 and name HD#) 1.8 0.0 4.2
assign (resid 35 and (name HG1# or name HG2#)) (resid 36 and name HN) 1.8 0.0 3.2
!Ile-36
!inter
assign (resid 36 and name HA) (resid 36 and name HB) 1.8 0.0 1.7
assign (resid 36 and name HA) (resid 36 and name HN) 1.8 0.0 1.7
assign (resid 36 and name HA) (resid 36 and name HG2#) 1.8 0.0 1.7
assign (resid 36 and name HB) (resid 36 and name HN) 1.8 0.0 1.7
assign (resid 36 and name HB) (resid 36 and name HG2#) 1.8 0.0 1.1
assign (resid 36 and name HG11) (resid 36 and name HN) 1.8 0.0 3.2
assign (resid 36 and name HG12) (resid 36 and name HN) 1.8 0.0 3.2
assign (resid 36 and name HG11) (resid 36 and name HA) 1.8 0.0 1.7
assign (resid 36 and name HG12) (resid 36 and name HA) 1.8 0.0 3.2
assign (resid 36 and name HG11) (resid 36 and name HB) 1.8 0.0 1.7
assign (resid 36 and name HG12) (resid 36 and name HB) 1.8 0.0 1.7
assign (resid 36 and name HG11) (resid 36 and name HD1#) 1.8 0.0 1.1
assign (resid 36 and name HG12) (resid 36 and name HD1#) 1.8 0.0 1.1
assign (resid 36 and name HN) (resid 36 and name HG2#) 1.8 0.0 3.2
assign (resid 36 and name HG2#) (resid 36 and name HG11) 1.8 0.0 1.7
assign (resid 36 and name HG2#) (resid 36 and name HG12) 1.8 0.0 1.7
assign (resid 36 and name HD1#) (resid 36 and name HA) 1.8 0.0 3.2
assign (resid 36 and name HD1#) (resid 36 and name HB) 1.8 0.0 1.1
assign (resid 36 and name HN) (resid 36 and name HD1#) 1.8 0.0 3.2
!inter
assign (resid 36 and name HN) (resid 31 and name HA) 1.8 0.0 5.2
! assign (resid 36 and name HN) (resid 31 and name HN) 1.8 0.0 5.2
assign (resid 36 and name HN) (resid 33 and name HA) 1.8 0.0 4.2
assign (resid 36 and name HN) (resid 34 and name HA#) 1.8 0.0 3.2
assign (resid 36 and name HN) (resid 34 and name HN) 1.8 0.0 4.2
assign (resid 36 and name HN) (resid 35 and name HA) 1.8 0.0 4.2
assign (resid 36 and name HN) (resid 35 and name HB) 1.8 0.0 4.2
assign (resid 36 and name HN) (resid 39 and name HB#) 1.8 0.0 4.2
assign (resid 36 and name HA) (resid 35 and name HN) 1.8 0.0 4.2
assign (resid 36 and name HA) (resid 37 and name HN) 1.8 0.0 3.2
assign (resid 36 and name HA) (resid 42 and name HN) 1.8 0.0 4.2
assign (resid 36 and name HB) (resid 31 and name HA) 1.8 0.0 6.2
assign (resid 36 and name HB) (resid 35 and name HG1#) 1.8 0.0 4.2
assign (resid 36 and name HB) (resid 35 and name HG2#) 1.8 0.0 4.5
assign (resid 36 and name HB) (resid 42 and name HN) 1.8 0.0 6.2
assign (resid 36 and name HG1#) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 4.2
assign (resid 36 and name HG1#) (resid 42 and name HN) 1.8 0.0 4.5
assign (resid 36 and name HG2#) (resid 35 and name HN) 1.8 0.0 4.2
assign (resid 36 and name HG2#) (resid 37 and name HN) 1.8 0.0 3.2
assign (resid 36 and name HG2#) (resid 40 and name HA#) 1.8 0.0 4.2
assign (resid 36 and name HG2#) (resid 41 and name HN) 1.8 0.0 4.2
assign (resid 36 and name HG2#) (resid 41 and name HB#) 1.8 0.0 4.2
assign (resid 36 and name HG2#) (resid 41 and name HG) 1.8 0.0 4.2
assign (resid 36 and name HG2#) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 4.2
assign (resid 36 and name HG2#) (resid 42 and name HN) 1.8 0.0 4.5
assign (resid 36 and name HG2#) (resid 44 and (name HG1# or name HG2#)) 1.8 0.0 3.2
assign (resid 36 and name HG2#) (resid 66 and name HD#) 1.8 0.0 4.2
assign (resid 36 and name HD1#)
((resid 30 and name HG) or (resid 43 and name HB#)) 1.8 0.0 4.2
assign (resid 36 and name HD1#) (resid 41 and name HB#) 1.8 0.0 3.2
assign (resid 36 and name HD1#) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 3.2
assign (resid 36 and name HD1#) (resid 42 and name HN) 1.8 0.0 5.2
assign (resid 36 and name HD1#) (resid 44 and (name HG1# or name HG2#)) 1.8 0.0 3.2
assign (resid 36 and name HD1#) (resid 66 and name HD#) 1.8 0.0 3.2
!Asp-37
!intra
assign (resid 37 and name HB2) (resid 37 and name HA) 1.8 0.0 1.7
assign (resid 37 and name HA) (resid 37 and name HB1) 1.8 0.0 1.7
assign (resid 37 and name HN) (resid 37 and name HB1) 1.8 0.0 3.2
assign (resid 37 and name HN) (resid 37 and name HB2) 1.8 0.0 1.7
assign (resid 37 and name HN) (resid 37 and name HA) 1.8 0.0 1.7
!inter
!!!assign (resid 37 and name HN) (resid 34 and name HA#) 1.8 0.0 4.2
assign (resid 37 and name HN) (resid 36 and name HB) 1.8 0.0 3.2
assign (resid 37 and name HN) (resid 36 and name HN) 1.8 0.0 3.2
assign (resid 37 and name HN) (resid 36 and name HG11) 1.8 0.0 4.2
assign (resid 37 and name HN) (resid 36 and name HG12) 1.8 0.0 3.2
assign (resid 37 and name HN) (resid 36 and name HG2#) 1.8 0.0 4.2
! assign (resid 37 and name HN) (resid 43 and name HG#) 1.8 0.0 4.2
assign (resid 37 and name HA) (resid 41 and name HN) 1.8 0.0 4.2 !add 201404
!Sat-38 or Nia-38
!intra
assign (resid 38 and name HA) (resid 38 and name HB#) 1.8 0.0 1.7
assign (resid 38 and name HN) (resid 38 and name HA) 1.8 0.0 1.7
assign (resid 38 and name H3) (resid 38 and name H6#) 1.8 0.0 3.2 !add 201404
assign (resid 38 and name H3) (resid 38 and name HE#) 1.8 0.0 1.7 !add 201404
assign (resid 38 and name H7#) (resid 38 and name H9) 1.8 0.0 3.2 !add 201408
assign (resid 38 and name HE#) (resid 38 and name H9) 1.8 0.0 3.2 !add 201408
assign (resid 38 and name H11#) (resid 38 and name H9) 1.8 0.0 1.7 !add 201408
assign (resid 38 and name H10#) (resid 38 and name H9) 1.8 0.0 1.1 !add 201408
!inter
assign (resid 38 and name HN) (resid 37 and name HA) 1.8 0.0 1.7
assign (resid 38 and name HN) (resid 37 and name HB1) 1.8 0.0 3.2
assign (resid 38 and name HN) (resid 37 and name HB2) 1.8 0.0 3.2
! assign (resid 38 and name H6#) (resid 65 and name HN) 1.8 0.0 3.2
assign (resid 38 and name H5)(resid 65 and name HN) 1.8 0.0 4.5
assign (resid 38 and name HN) (resid 37 and name HN) 1.8 0.0 3.2
assign (resid 38 and name HN) (resid 39 and name HN) 1.8 0.0 3.2
assign (resid 38 and name HN) (resid 39 and name HA) 1.8 0.0 3.2 !add 201404
assign (resid 38 and name HN) (resid 40 and name HA#) 1.8 0.0 4.2 !add 201404
assign (resid 38 and name HA) (resid 40 and name HN) 1.8 0.0 4.2
assign (resid 38 and name HA) (resid 41 and name HB1) 1.8 0.0 4.2 !add 201404
assign (resid 38 and name HA) (resid 41 and name HB2) 1.8 0.0 4.2 !add 201404
assign (resid 38 and name HA) (resid 41 and name HN) 1.8 0.0 4.2 !add 201404
assign (resid 38 and name HA) (resid 41 and name HB#) 1.8 0.0 3.2 !add 201404
assign (resid 38 and name HA) (resid 41 and name HD1#) 1.8 0.0 3.2 !add 201404
assign (resid 38 and name HE#) (resid 65 and name HN) 1.8 0.0 4.2 !add 201408
assign (resid 38 and name H10#) (resid 41 and name HN) 1.8 0.0 4.5 !add 201408 SAT'
assign (resid 38 and name H18) (resid 47 and name HB1) 1.8 0.0 4.2 ! added 20160906 Nia
assign (resid 38 and name H18) (resid 47 and name HB2) 1.8 0.0 5.2 ! added 20160906 Nia
assign (resid 38 and name H18) (resid 48 and name HN) 1.8 0.0 4.2 ! added 20160906 Nia
assign (resid 38 and name H18) (resid 48 and name HG) 1.8 0.0 4.2 ! added 20160906 Nia
assign (resid 38 and name H18) (resid 72 and name HG2#) 1.8 0.0 4.5 ! added 20160906 Nia
assign (resid 38 and name HE#) (resid 72 and name HD1#) 1.8 0.0 5.2 ! added 20160906 Nia
!Leu-39
!intra
assign (resid 39 and name HA) (resid 39 and name HN) 1.8 0.0 1.7
assign (resid 39 and name HA) (resid 39 and name HB1) 1.8 0.0 1.1
assign (resid 39 and name HA) (resid 39 and name HB2) 1.8 0.0 1.1
assign (resid 39 and name HA) (resid 39 and name HD2#) 1.8 0.0 1.7
assign (resid 39 and name HD1#) (resid 39 and name HA) 1.8 0.0 1.7
assign (resid 39 and name HB1) (resid 39 and name HN) 1.8 0.0 2.5
assign (resid 39 and name HB2) (resid 39 and name HN) 1.8 0.0 2.5
assign (resid 39 and name HG) (resid 39 and name HN) 1.8 0.0 3.2
assign (resid 39 and name HB1) (resid 39 and (name HD1# or name HD2#)) 1.8 0.0 1.1
assign (resid 39 and name HB2) (resid 39 and (name HD1# or name HD2#)) 1.8 0.0 1.1
assign (resid 39 and (name HD1# or name HD2#)) (resid 39 and name HG) 1.8 0.0 3.2
assign (resid 39 and name HN) (resid 39 and (name HD1# or name HD2#)) 1.8 0.0 4.2
assign (resid 39 and name HB1) (resid 39 and name HG) 1.8 0.0 1.1
assign (resid 39 and name HB2) (resid 39 and name HG) 1.8 0.0 1.1
!inter
! assign (resid 39 and name HN) (resid 37 and name HB#) 1.8 0.0 3.2
! check 20111102
!!! assign (resid 39 and name HN) (resid 37 and name HN) 1.8 0.0 4.2
assign (resid 39 and name HB#) (resid 40 and name HN) 1.8 0.0 3.2
assign (resid 39 and name HN) (resid 40 and name HN) 1.8 0.0 3.2
assign (resid 39 and name HN) (resid 38 and name HA) 1.8 0.0 1.7
assign (resid 39 and name HA) (resid 42 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 39 and name HA) (resid 43 and name HN) 1.8 0.0 4.2 !add 201404
assign (resid 39 and name HN) (resid 43 and name HN) 1.8 0.0 4.5 !add 201404
assign (resid 39 and name HN) (resid 42 and name HN) 1.8 0.0 4.2 !add 201404
!Gly-40
!intra
assign (resid 40 and name HA1) (resid 40 and name HN) 1.8 0.0 1.7
assign (resid 40 and name HA2) (resid 40 and name HN) 1.8 0.0 1.7
!inter
assign (resid 40 and name HN) (resid 36 and name HG2#) 1.8 0.0 4.2 !add
!!assign (resid 40 and name HA1) (resid 15 and name HE#) 1.8 0.0 4.2
!!assign (resid 40 and name HA2) (resid 15 and name HE#) 1.8 0.0 4.2
assign (resid 40 and name HA1) (resid 36 and name HG2#) 1.8 0.0 4.2
assign (resid 40 and name HA2) (resid 36 and name HG2#) 1.8 0.0 4.2
assign (resid 40 and name HA1) (resid 39 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 40 and name HA2) (resid 39 and name HN) 1.8 0.0 4.2 !add 201404
assign (resid 40 and name HA1) (resid 39 and name HB#) 1.8 0.0 3.2 !add 201404
assign (resid 40 and name HA2) (resid 39 and name HB#) 1.8 0.0 3.2 !add 201404
assign (resid 40 and name HA1) (resid 43 and name HD#) 1.8 0.0 3.2 !add 201404
assign (resid 40 and name HA2) (resid 43 and name HD#) 1.8 0.0 3.2 !add 201404
assign (resid 40 and name HN) (resid 37 and name HN) 1.8 0.0 4.2
assign (resid 40 and name HA1) (resid 42 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 40 and name HA2) (resid 42 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 40 and name HA1) (resid 43 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 40 and name HA2) (resid 43 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 40 and name HA1) (resid 43 and name HD#) 1.8 0.0 4.2
assign (resid 40 and name HA2) (resid 43 and name HD#) 1.8 0.0 4.2
assign (resid 40 and name HN) (resid 38 and name HN) 1.8 0.0 3.2
assign (resid 40 and name HN) (resid 39 and name HB1) 1.8 0.0 1.7
assign (resid 40 and name HN) (resid 39 and name HB2) 1.8 0.0 3.2
assign (resid 40 and name HN) (resid 39 and (name HD1# or name HD2#)) 1.8 0.0 3.2
assign (resid 40 and name HN) (resid 39 and name HA) 1.8 0.0 1.7
assign (resid 40 and name HN) (resid 39 and name HG) 1.8 0.0 3.2
assign (resid 40 and name HN) (resid 41 and name HN) 1.8 0.0 1.1
assign (resid 40 and name HN) (resid 41 and name HA) 1.8 0.0 4.2 !add 201404
assign (resid 40 and name HN) (resid 37 and name HB#) 1.8 0.0 4.2 !add 201404
assign (resid 40 and name HN) (resid 42 and name HN) 1.8 0.0 3.2
assign (resid 40 and name HN) (resid 44 and name HN) 1.8 0.0 4.2 !add 201404
!Leu-41
!intra
assign (resid 41 and name HA) (resid 41 and name HN) 1.8 0.0 1.7
assign (resid 41 and name HA) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 1.7
assign (resid 41 and name HB#) (resid 41 and name HN) 1.8 0.0 1.7
assign (resid 41 and name HB#) (resid 41 and name HA) 1.8 0.0 1.1
assign (resid 41 and name HB#) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 1.1
assign (resid 41 and name HB#) (resid 41 and name HG) 1.8 0.0 1.1
assign (resid 41 and name HN) (resid 41 and name HG) 1.8 0.0 3.2
assign (resid 41 and (name HD1# or name HD2#)) (resid 41 and name HG) 1.8 0.0 1.1
assign (resid 41 and name HN) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 3.2
!inter
assign (resid 41 and name HA) (resid 36 and name HG2#) 1.8 0.0 3.2
assign (resid 41 and name HN) (resid 36 and name HG2#) 1.8 0.0 3.2
assign (resid 41 and name HN) (resid 37 and name HN) 1.8 0.0 4.2
assign (resid 41 and name HN) (resid 39 and (name HD1# or name HD2#)) 1.8 0.0 3.2
!!assign (resid 41 and (name HD1# or name HD2#)) (resid 39 and name HA) 1.8 0.0 4.2
assign (resid 41 and name HN) (resid 39 and name HA) 1.8 0.0 3.2
assign (resid 41 and name HN) (resid 39 and name HN) 1.8 0.0 3.2
assign (resid 41 and name HN) (resid 40 and name HA1) 1.8 0.0 1.1
assign (resid 41 and name HN) (resid 40 and name HA2) 1.8 0.0 1.7
assign (resid 41 and name HN) (resid 42 and name HN) 1.8 0.0 1.7
assign (resid 41 and name HB#) (resid 42 and name HN) 1.8 0.0 2.5 ! double emerge
assign (resid 41 and (name HD1# or name HD2#)) (resid 42 and name HA) 1.8 0.0 3.2
assign (resid 41 and (name HD1# or name HD2#)) (resid 42 and name HG) 1.8 0.0 4.5
! !assign (resid 41 and name HN) (resid 42 and name HG) 1.8 0.0 4.2
! violated 20110920
assign (resid 41 and name HA) (resid 44 and name HG#) 1.8 0.0 1.7 !HG2#
assign (resid 41 and name HA) (resid 44 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 41 and name HA) (resid 44 and name HB) 1.8 0.0 3.2 !add 201404
!assign (resid 41 and name HB#) (resid 45 and name HD1#) 1.8 0.0 3.2
assign (resid 41 and name HG) (resid 45 and name HD1#) 1.8 0.0 3.2
!assign (resid 41 and (name HD1# or name HD2#)) (resid 66 and name HE#) 1.8 0.0 3.2
assign (resid 41 and name HD1#) (resid 61 and name HB1) 1.8 0.0 4.2 !add 201404
assign (resid 41 and name HD1#) (resid 61 and name HB2) 1.8 0.0 4.2 !add 201404
assign (resid 41 and name HN) (resid 43 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 41 and name HD1#) (resid 66 and name HD#1) 1.8 0.0 4.2 !add 201404
assign (resid 41 and name HD1#) (resid 66 and name HE#1) 1.8 0.0 4.2 !add 201404
assign (resid 41 and name HD1#) (resid 66 and name HB#) 1.8 0.0 4.2 !add 201405
!Leu-42
!intra
assign (resid 42 and name HA) (resid 42 and name HN) 1.8 0.0 1.7
assign (resid 42 and name HA) (resid 42 and name HD1#) 1.8 0.0 3.2
assign (resid 42 and name HD2#) (resid 42 and name HA) 1.8 0.0 3.2
assign (resid 42 and name HB1) (resid 42 and name HA) 1.8 0.0 1.7
assign (resid 42 and name HB2) (resid 42 and name HA) 1.8 0.0 1.7
assign (resid 42 and name HB1) (resid 42 and name HN) 1.8 0.0 1.7
assign (resid 42 and name HB2) (resid 42 and name HN) 1.8 0.0 1.7
assign (resid 42 and name HG) (resid 42 and name HA) 1.8 0.0 1.7
assign (resid 42 and name HG) (resid 42 and name HB#) 1.8 0.0 1.7
assign (resid 42 and name HG) (resid 42 and name HD2#) 1.8 0.0 1.7
assign (resid 42 and name HG) (resid 42 and name HD1#) 1.8 0.0 1.1
assign (resid 42 and name HG) (resid 42 and name HN) 1.8 0.0 3.2
assign (resid 42 and name HB1) (resid 42 and name HD1#) 1.8 0.0 1.1
assign (resid 42 and name HB2) (resid 42 and name HD1#) 1.8 0.0 1.7
assign (resid 42 and name HB1) (resid 42 and name HD2#) 1.8 0.0 1.1
assign (resid 42 and name HB2) (resid 42 and name HD2#) 1.8 0.0 1.1
!assign (resid 42 and name HN) (resid 42 and name HD1#) 1.8 0.0 3.2
!assign (resid 42 and name HN) (resid 42 and name HD2#) 1.8 0.0 3.2
!inter
assign (resid 42 and name HB2) (resid 39 and name HA) 1.8 0.0 4.2
assign (resid 42 and name HB1) (resid 39 and name HA) 1.8 0.0 4.2 ! manual add
assign (resid 42 and name HN) (resid 41 and name HA) 1.8 0.0 1.7
assign (resid 42 and name HN) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 3.2
! assign (resid 42 and name HN) (resid 43 and name HA) 1.8 0.0 3.5
! check 20111102
assign (resid 42 and name HB#) (resid 43 and name HN) 1.8 0.0 3.2 ! HB2
! assign (resid 42 and name HN) (resid 44 and name HB) 1.8 0.0 3.2
! check 20111102
assign (resid 42 and name HN) (resid 43 and name HN) 1.8 0.0 1.7
assign (resid 42 and name HN) (resid 44 and name HN) 1.8 0.0 3.2
!ssign(resid 42 and name HA) (resid 45 and name HB) 1.8 0.0 3.2 ! double emerge
assign (resid 42 and name HA) (resid 45 and name HD1#) 1.8 0.0 4.2
assign (resid 42 and name HA) (resid 45 and name HG2#) 1.8 0.0 4.2
assign (resid 42 and name HD#) (resid 43 and name HA) 1.8 0.0 3.2
assign (resid 42 and name HB#) (resid 43 and name HA) 1.8 0.0 3.2 !add 201404
assign (resid 42 and name HN) (resid 43 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 42 and name HN) (resid 44 and name HN) 1.8 0.0 4.2 !add 201404
!Lys-43
!intra
assign (resid 43 and name HA) (resid 43 and name HN) 1.8 0.0 1.1
assign (resid 43 and name HA) (resid 43 and name HB1) 1.8 0.0 1.1
assign (resid 43 and name HA) (resid 43 and name HB2) 1.8 0.0 1.1
assign (resid 43 and name HA) (resid 43 and name HG1) 1.8 0.0 3.2
assign (resid 43 and name HA) (resid 43 and name HG2) 1.8 0.0 3.2
assign (resid 43 and name HB1) (resid 43 and name HN) 1.8 0.0 1.7
assign (resid 43 and name HB2) (resid 43 and name HN) 1.8 0.0 1.7
assign (resid 43 and name HB1) (resid 43 and name HG1) 1.8 0.0 1.7
assign (resid 43 and name HB1) (resid 43 and name HG2) 1.8 0.0 1.7
assign (resid 43 and name HB2) (resid 43 and name HG1) 1.8 0.0 1.7
assign (resid 43 and name HB2) (resid 43 and name HG2) 1.8 0.0 1.7
assign (resid 43 and name HD#) (resid 43 and name HA) 1.8 0.0 3.2
assign (resid 43 and name HD#) (resid 43 and name HB1) 1.8 0.0 1.7
assign (resid 43 and name HB2) (resid 43 and name HD#) 1.8 0.0 1.7
assign (resid 43 and name HN) (resid 43 and name HG1) 1.8 0.0 3.2
assign (resid 43 and name HN) (resid 43 and name HG2) 1.8 0.0 3.2
assign (resid 43 and name HD#) (resid 43 and name HE#) 1.8 0.0 1.1
assign (resid 43 and name HE#) (resid 43 and name HB2) 1.8 0.0 3.2
assign (resid 43 and name HE#) (resid 43 and name HB1) 1.8 0.0 3.2
assign (resid 43 and name HE#) (resid 43 and name HG1) 1.8 0.0 1.7
assign (resid 43 and name HE#) (resid 43 and name HG2) 1.8 0.0 1.7
assign (resid 43 and name HN) (resid 43 and name HD#) 1.8 0.0 3.2 ! strength unsure
assign (resid 43 and name HN) (resid 43 and name HE#) 1.8 0.0 3.2 ! strength unsure
!inter
!assign (resid 43 and name HD#) (resid 14 and name HG#) 1.8 0.0 4.2 !Key
! violated 20110920
!!!assign (resid 43 and name HD#) (resid 14 and name HB#) 1.8 0.0 4.2
! violated 20110920
! !assign (resid 43 and name HE#) (resid 14 and name HG#) 1.8 0.0 4.2
! violated 20110920
!!assign (resid 43 and name HB#) (resid 40 and name HA#) 1.8 0.0 3.2
assign (resid 43 and name HB2) (resid 40 and name HA2) 1.8 0.0 3.2 ! this is certain
assign (resid 43 and name HN) (resid 44 and name HN) 1.8 0.0 1.1
assign (resid 43 and name HN) (resid 41 and name HA) 1.8 0.0 4.2
assign (resid 43 and name HN) (resid 42 and name HB1) 1.8 0.0 3.2
assign (resid 43 and name HN) (resid 42 and name HB2) 1.8 0.0 3.2
assign (resid 43 and name HN) (resid 42 and name HA) 1.8 0.0 3.2
assign (resid 43 and name HN) (resid 42 and name HG) 1.8 0.0 3.2
assign (resid 43 and name HN) (resid 42 and name HD1#) 1.8 0.0 3.2
assign (resid 43 and name HN) (resid 42 and name HD2#) 1.8 0.0 3.2
! assign (resid 43 and name HB#) (resid 42 and name HB#) 1.8 0.0 3.2
! check 20111102
assign (resid 43 and name HN) (resid 41 and name HA) 1.8 0.0 3.2 !add 201404
assign (resid 43 and name HN) (resid 46 and name HB#) 1.8 0.0 4.2 !add 201404
!Val-44
!intra
assign (resid 44 and name HA) (resid 44 and name HN) 1.8 0.0 3.2 ! need HN NOE
assign (resid 44 and name HB) (resid 44 and name HA) 1.8 0.0 1.7
assign (resid 44 and name HA) (resid 44 and name HG2#) 1.8 0.0 1.7
assign (resid 44 and name HG1#) (resid 44 and name HA) 1.8 0.0 1.7
assign (resid 44 and name HB) (resid 44 and name HN) 1.8 0.0 1.7
assign (resid 44 and name HB) (resid 44 and name HG1#) 1.8 0.0 1.1
assign (resid 44 and name HG2#) (resid 44 and name HB) 1.8 0.0 1.1
assign (resid 44 and name HG1#) (resid 44 and name HN) 1.8 0.0 3.2
assign (resid 44 and name HG2#) (resid 44 and name HN) 1.8 0.0 1.1
!inter
assign (resid 44 and name HA) (resid 47 and name HE1) 1.8 0.0 5.2
assign (resid 44 and (name HG1# or name HG2#)) (resid 43 and name HB2) 1.8 0.0 3.2
assign (resid 44 and (name HG1# or name HG2#)) (resid 43 and name HB1) 1.8 0.0 3.2
! assign (resid 44 and name HA) (resid 43 and name HB#) 1.8 0.0 3.2
! check 20111102
assign (resid 44 and name HB) (resid 45 and name HN) 1.8 0.0 1.7 ! double emerge
assign (resid 44 and (name HG1# or name HG2#)) (resid 47 and name HE3) 1.8 0.0 3.2
assign (resid 44 and (name HG1# or name HG2#)) (resid 47 and name HH2) 1.8 0.0 4.2
assign (resid 44 and name HA) (resid 47 and name HB#) 1.8 0.0 3.2 !HB2
assign (resid 44 and name HA) (resid 47 and name HH2) 1.8 0.0 5.2 !add 201404
assign (resid 44 and name HA) (resid 45 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 44 and name HA) (resid 47 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 44 and name HN) (resid 46 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 44 and name HN) (resid 47 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 44 and name HA) (resid 45 and name HD1#) 1.8 0.0 3.2 !add 201404
assign (resid 44 and name HA) (resid 48 and name HN) 1.8 0.0 3.2 !add 201404
!Ile-45
!intra
assign (resid 45 and name HA) (resid 45 and name HB) 1.8 0.0 1.7
assign (resid 45 and name HA) (resid 45 and name HN) 1.8 0.0 1.3
assign (resid 45 and name HB) (resid 45 and name HN) 1.8 0.0 1.7
assign (resid 45 and name HB) (resid 45 and name HG12) 1.8 0.0 1.7
assign (resid 45 and name HG11) (resid 45 and name HB) 1.8 0.0 3.2
assign (resid 45 and name HD1#) (resid 45 and name HA) 1.8 0.0 3.2
assign (resid 45 and name HG11) (resid 45 and name HA) 1.8 0.0 3.2
assign (resid 45 and name HG12) (resid 45 and name HA) 1.8 0.0 3.2
assign (resid 45 and name HG2#) (resid 45 and name HG11) 1.8 0.0 1.7
assign (resid 45 and name HG2#) (resid 45 and name HG12) 1.8 0.0 1.7
assign (resid 45 and name HG1#) (resid 45 and name HN) 1.8 0.0 1.7 ! only HG12
assign (resid 45 and name HN) (resid 45 and name HG2#) 1.8 0.0 1.7
assign (resid 45 and name HG11) (resid 45 and name HD1#) 1.8 0.0 1.1
assign (resid 45 and name HG12) (resid 45 and name HD1#) 1.8 0.0 1.1
assign (resid 45 and name HG1#) (resid 45 and name HN) 1.8 0.0 3.2 ! HG11
assign (resid 45 and name HG2#) (resid 45 and name HA) 1.8 0.0 1.7
assign (resid 45 and name HG2#) (resid 45 and name HB) 1.8 0.0 1.1
assign (resid 45 and name HN) (resid 45 and name HD1#) 1.8 0.0 1.7
assign (resid 45 and name HG2#) (resid 45 and name HN) 1.8 0.0 3.2
assign (resid 45 and name HN) (resid 47 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 45 and name HN) (resid 43 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 45 and name HN) (resid 42 and name HA) 1.8 0.0 3.2 !add 201404
assign (resid 45 and name HN) (resid 47 and name HE3) 1.8 0.0 4.2 !add 201404
!inter
!!!assign (resid 45 and name HN) (resid 43 and name HA) 1.8 0.0 3.2
!assign (resid 45 and name HD1#) (resid 43 and name HA) 1.8 0.0 3.2
!assign (resid 45 and name HA) (resid 44 and name HN) 1.8 0.0 4.2
! assign (resid 45 and name HB) (resid 44 and name HA) 1.8 0.0 4.2
! check 20111102
assign (resid 45 and name HN) (resid 44 and name HA) 1.8 0.0 1.7
assign (resid 45 and name HN) (resid 44 and name HN) 1.8 0.0 1.7
assign (resid 45 and name HG2#) (resid 49 and (name HG# or name HB#)) 1.8 0.0 3.2
assign (resid 45 and name HB) (resid 46 and name HN) 1.8 0.0 3.2
assign (resid 45 and name HG2#) (resid 46 and name HN) 1.8 0.0 3.2
!!!assign (resid 45 and name HN) (resid 46 and name HB#) 1.8 0.0 3.2
assign (resid 45 and name HN) (resid 46 and name HN) 1.8 0.0 1.7
assign (resid 45 and name HD1#) (resid 41 and name HG) 1.8 0.0 3.2
!!!assign (resid 45 and name HG2#) (resid 56 and name HA) 1.8 0.0 4.2
!!!assign (resid 45 and name HG2#) (resid 56 and name HB#) 1.8 0.0 3.2
assign (resid 45 and name HD1#) (resid 61 and (name HD1# or name HD2#)) 1.8 0.0 4.2
assign (resid 45 and name HA) (resid 48 and name HB1) 1.8 0.0 3.2 !add 201404
assign (resid 45 and name HA) (resid 48 and name HB2) 1.8 0.0 3.2 !add 201404
assign (resid 45 and name HA) (resid 46 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 45 and name HA) (resid 47 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 45 and name HA) (resid 48 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 45 and name HA) (resid 49 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 45 and name HD1#) (resid 56 and name HB#) 1.8 0.0 3.2 !add 201405
!Ala-46
!intra
assign (resid 46 and name HA) (resid 46 and name HN) 1.8 0.0 1.7
assign (resid 46 and name HA) (resid 46 and name HB#) 1.8 0.0 1.1
assign (resid 46 and name HB#) (resid 46 and name HN) 1.8 0.0 1.7
!inter
assign (resid 46 and name HN) (resid 45 and name HD1#) 1.8 0.0 3.2
assign (resid 46 and name HN) (resid 45 and name HG1#) 1.8 0.0 3.2 !HG12
assign (resid 46 and name HN) (resid 45 and name HA) 1.8 0.0 3.2
! assign (resid 46 and name HN) ((resid 43 and name HB# or resid 44 and name HB )) 1.8 0.0 3.2
! check 20111102
! assign (resid 46 and name HN) (resid 47 and name HB#) 1.8 0.0 3.2
! check 20111102
assign (resid 46 and name HA) (resid 49 and name HB1) 1.8 0.0 3.2 !add 201404
assign (resid 46 and name HA) (resid 49 and name HB2) 1.8 0.0 4.2 !add 201404
assign (resid 46 and name HA) (resid 49 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 46 and name HA) (resid 47 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 46 and name HB#) (resid 44 and (name HG1# or name HG2#)) 1.8 0.0 4.2
assign (resid 46 and name HA) (resid 49 and name HG#) 1.8 0.0 3.2
!Trp-47
!intra
assign (resid 47 and name HA) (resid 47 and name HN) 1.8 0.0 1.7
assign (resid 47 and name HA) (resid 47 and name HB1) 1.8 0.0 1.7
assign (resid 47 and name HB2) (resid 47 and name HA) 1.8 0.0 1.7
assign (resid 47 and name HA) (resid 47 and name HE3) 1.8 0.0 3.2
assign (resid 47 and name HE1) (resid 47 and name HA) 1.8 0.0 4.2
assign (resid 47 and name HB1) (resid 47 and name HN) 1.8 0.0 1.7
assign (resid 47 and name HB2) (resid 47 and name HN) 1.8 0.0 1.7
assign (resid 47 and name HB#) (resid 47 and name HE1) 1.8 0.0 3.2
!inter
! assign (resid 47 and name HE1) (resid 43 and name HB#) 1.8 0.0 4.2
! 20111101
assign (resid 47 and name HN) (resid 48 and (name HD2# or name HD1#)) 1.8 0.0 3.5
assign (resid 47 and name HN) (resid 48 and name HN) 1.8 0.0 1.1
assign (resid 47 and name HN) (resid 49 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 47 and name HN) (resid 46 and name HB#) 1.8 0.0 1.7
assign (resid 47 and name HN) (resid 46 and name HN) 1.8 0.0 1.1
assign (resid 47 and name HA) (resid 50 and name HB1) 1.8 0.0 1.7
assign (resid 47 and name HA) (resid 50 and name HB2) 1.8 0.0 1.7
assign (resid 47 and name HE1) (resid 51 and name HB1) 1.8 0.0 4.2
assign (resid 47 and name HE1) (resid 51 and name HB2) 1.8 0.0 3.2
assign (resid 47 and name HE1) (resid 51 and name HD1) 1.8 0.0 4.2
assign (resid 47 and name HE1) (resid 51 and name HD2) 1.8 0.0 4.2
assign (resid 47 and name HE1) (resid 51 and name HG1) 1.8 0.0 3.2
assign (resid 47 and name HE1) (resid 51 and name HG2) 1.8 0.0 3.2
!Leu
!intra
assign (resid 48 and name HA) (resid 48 and name HB1) 1.8 0.0 1.7
assign (resid 48 and name HA) (resid 48 and name HB2) 1.8 0.0 1.7
assign (resid 48 and name HA) (resid 48 and name HN) 1.8 0.0 1.7
assign (resid 48 and name HB2) (resid 48 and name HN) 1.8 0.0 1.7
assign (resid 48 and name HB1) (resid 48 and name HN) 1.8 0.0 1.7
assign (resid 48 and name HD#) (resid 48 and name HB1) 1.8 0.0 1.7
assign (resid 48 and name HD#) (resid 48 and name HB2) 1.8 0.0 1.7
assign (resid 48 and name HB1) (resid 48 and name HD1#) 1.8 0.0 1.1
assign (resid 48 and name HB2) (resid 48 and name HD2#) 1.8 0.0 1.1
assign (resid 48 and name HB2) (resid 48 and name HG) 1.8 0.0 1.1
assign (resid 48 and name HG) (resid 48 and name HB1) 1.8 0.0 1.1
assign (resid 48 and name HN) (resid 48 and name HG) 1.8 0.0 3.2
assign (resid 48 and name HD1#) (resid 48 and name HA) 1.8 0.0 1.7
assign (resid 48 and name HD2#) (resid 48 and name HA) 1.8 0.0 3.2
assign (resid 48 and name HD1#) (resid 48 and name HG) 1.8 0.0 1.1
assign (resid 48 and name HD2#) (resid 48 and name HG) 1.8 0.0 1.1
assign (resid 48 and name HN) (resid 48 and (name HD2# or name HD1#)) 1.8 0.0 1.7
assign (resid 48 and name HG) (resid 48 and name HA) 1.8 0.0 3.2
!inter
!assign (resid 48 and name HD#) (resid 7 and name HD1#) 1.8 0.0 3.5
assign (resid 48 and name HA) (resid 10 and name HE#) 1.8 0.0 4.5
assign (resid 48 and name HA) (resid 10 and name HZ) 1.8 0.0 4.2
assign (resid 48 and name HB2) (resid 45 and name HA) 1.8 0.0 3.2
assign (resid 48 and name HB1) (resid 45 and name HA) 1.8 0.0 3.2
assign (resid 48 and name HN) (resid 45 and name HA) 1.8 0.0 3.2
assign (resid 48 and name HD#) (resid 47 and name HE3) 1.8 0.0 3.2 !HD2#
assign (resid 48 and name HD#) (resid 47 and name HZ3) 1.8 0.0 4.2
assign (resid 48 and name HA) (resid 47 and name HE3) 1.8 0.0 3.2 !add 201404
assign (resid 48 and name HA) (resid 50 and name HB#) 1.8 0.0 3.2 !add 201404
assign (resid 48 and name HN) (resid 47 and name HB#) 1.8 0.0 1.7
assign (resid 48 and name HN) (resid 47 and name HA) 1.8 0.0 3.2
assign (resid 48 and name HN) (resid 50 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 48 and name HN) (resid 51 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 48 and name HN) (resid 49 and name HN) 1.8 0.0 1.7
assign (resid 48 and name HA) (resid 51 and name HB#) 1.8 0.0 3.2
assign (resid 48 and name HA) (resid 51 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 48 and name HA) (resid 51 and name HD#) 1.8 0.0 3.2 !add 201404
!Leu-49
!intra
assign (resid 49 and name HA) (resid 49 and name HN) 1.8 0.0 1.7
assign (resid 49 and name HA) (resid 49 and name HB2) 1.8 0.0 1.7
assign (resid 49 and name HB1) (resid 49 and name HA) 1.8 0.0 1.7
assign (resid 49 and name HG1) (resid 49 and name HB1) 1.8 0.0 1.1
assign (resid 49 and name HG2) (resid 49 and name HB1) 1.8 0.0 1.1
assign (resid 49 and name HG1) (resid 49 and name HB2) 1.8 0.0 1.1
assign (resid 49 and name HG2) (resid 49 and name HB2) 1.8 0.0 1.1
assign (resid 49 and name HG1) (resid 49 and name HA) 1.8 0.0 1.7
assign (resid 49 and name HG2) (resid 49 and name HA) 1.8 0.0 3.2
assign (resid 49 and name HB1) (resid 49 and name HN) 1.8 0.0 1.7
assign (resid 49 and name HN) (resid 49 and name HB2) 1.8 0.0 1.7
assign (resid 49 and name HG1) (resid 49 and name HN) 1.8 0.0 3.2
assign (resid 49 and name HG2) (resid 49 and name HN) 1.8 0.0 3.2
!inter
!!!assign (resid 49 and name HG#) (resid 45 and name HG1#) 1.8 0.0 4.2 !HG2#
!!!assign (resid 49 and name HG#) (resid 45 and name HG2#) 1.8 0.0 4.2
assign (resid 49 and name HN) (resid 47 and name HA) 1.8 0.0 3.2
assign (resid 49 and name HN) (resid 48 and name HA) 1.8 0.0 3.2
assign (resid 49 and name HN) (resid 48 and name HB#) 1.8 0.0 3.2
assign (resid 49 and name HN) (resid 48 and name HD#) 1.8 0.0 3.2
! assign (resid 49 and name HN) (resid 50 and name HB#) 1.8 0.0 3.2
! check 20111102
!!!assign (resid 49 and name HA) (resid 54 and name HB) 1.8 0.0 3.2 ! double emerge
assign (resid 49 and name HA) (resid 54 and name HG1#) 1.8 0.0 4.2
assign (resid 49 and name HA) (resid 54 and name HN) 1.8 0.0 3.2
assign (resid 49 and name HB1) (resid 56 and name HA) 1.8 0.0 3.2
assign (resid 49 and name HB2) (resid 56 and name HA) 1.8 0.0 3.2
assign (resid 49 and name HN) (resid 50 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 49 and name HN) (resid 51 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 49 and name HN) (resid 52 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 49 and name HA) (resid 52 and name HN) 1.8 0.0 3.2 !add 201404
!Asp-50
!intra
assign (resid 50 and name HA) (resid 50 and name HN) 1.8 0.0 1.7
assign (resid 50 and name HB1) (resid 50 and name HN) 1.8 0.0 1.7
assign (resid 50 and name HB2) (resid 50 and name HN) 1.8 0.0 1.7
assign (resid 50 and name HA) (resid 50 and name HB1) 1.8 0.0 1.1 ! double emerge
assign (resid 50 and name HA) (resid 50 and name HB2) 1.8 0.0 1.1
!inter
assign (resid 50 and name HN) (resid 49 and name HB2) 1.8 0.0 3.2
assign (resid 50 and name HN) (resid 49 and name HB1) 1.8 0.0 3.2
assign (resid 50 and name HB2) (resid 51 and name HN) 1.8 0.0 3.2 !double emerge
assign (resid 50 and name HB1) (resid 51 and name HN) 1.8 0.0 1.7
assign (resid 50 and name HA) (resid 51 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 50 and name HN) (resid 49 and name HA) 1.8 0.0 3.2 !add 201404
!Arg-51
!intra
!assign (resid 51 and name HA) (resid 51 and name HB1) 1.8 0.0 1.7
!assign (resid 51 and name HA) (resid 51 and name HB2) 1.8 0.0 1.1
assign (resid 51 and name HA) (resid 51 and name HN) 1.8 0.0 1.7
assign (resid 51 and name HB1) (resid 51 and name HG1) 1.8 0.0 1.7
assign (resid 51 and name HB2) (resid 51 and name HG1) 1.8 0.0 1.7
assign (resid 51 and name HG2) (resid 51 and name HB2) 1.8 0.0 1.7
assign (resid 51 and name HG2) (resid 51 and name HB1) 1.8 0.0 1.7
assign (resid 51 and name HB1) (resid 51 and name HN) 1.8 0.0 1.7
assign (resid 51 and name HB2) (resid 51 and name HN) 1.8 0.0 1.7
assign (resid 51 and name HA) (resid 51 and name HD1) 1.8 0.0 3.2
assign (resid 51 and name HA) (resid 51 and name HD2) 1.8 0.0 3.2
assign (resid 51 and name HD1) (resid 51 and name HG1) 1.8 0.0 3.2
assign (resid 51 and name HD2) (resid 51 and name HG1) 1.8 0.0 3.2
assign (resid 51 and name HD1) (resid 51 and name HG2) 1.8 0.0 3.2
assign (resid 51 and name HD2) (resid 51 and name HG1) 1.8 0.0 3.2
assign (resid 51 and name HA) (resid 51 and name HG1) 1.8 0.0 3.2
assign (resid 51 and name HG2) (resid 51 and name HA) 1.8 0.0 3.2
assign (resid 51 and name HB1) (resid 51 and name HD1) 1.8 0.0 3.2
assign (resid 51 and name HB2) (resid 51 and name HD1) 1.8 0.0 3.2
assign (resid 51 and name HB2) (resid 51 and name HD2) 1.8 0.0 3.2
assign (resid 51 and name HB1) (resid 51 and name HD2) 1.8 0.0 3.2
assign (resid 51 and name HN) (resid 51 and name HG1) 1.8 0.0 3.2
assign (resid 51 and name HN) (resid 51 and name HG2) 1.8 0.0 3.2
assign (resid 51 and name HE) (resid 51 and name HG1) 1.8 0.0 3.2
assign (resid 51 and name HE) (resid 51 and name HG2) 1.8 0.0 3.2
assign (resid 51 and name HN) (resid 51 and name HD1) 1.8 0.0 4.2
assign (resid 51 and name HN) (resid 51 and name HD2) 1.8 0.0 4.2
assign (resid 51 and name HE) (resid 51 and name HD1) 1.8 0.0 1.7
assign (resid 51 and name HE) (resid 51 and name HD2) 1.8 0.0 1.7
!inter
assign (resid 51 and name HH#) (resid 6 and (name HG1# or name HG2#)) 1.8 0.0 3.5 !Key
! violated 20110920
assign (resid 51 and name HN) (resid 50 and name HN) 1.8 0.0 1.1
assign (resid 51 and name HN) (resid 50 and name HA) 1.8 0.0 1.7
assign (resid 51 and name HN) (resid 48 and name HA) 1.8 0.0 3.2
assign (resid 51 and name HN) (resid 52 and name HN) 1.8 0.0 1.1
!Phe-52
!intra
assign (resid 52 and name HB#) (resid 52 and name HA) 1.8 0.0 1.7
assign (resid 52 and name HN) (resid 52 and name HA) 1.8 0.0 1.7
assign (resid 52 and name HN) (resid 52 and name HB1) 1.8 0.0 1.7
assign (resid 52 and name HN) (resid 52 and name HB2) 1.8 0.0 1.7
!inter
assign (resid 52 and name HN) (resid 48 and name HA) 1.8 0.0 4.2
assign (resid 52 and name HN) (resid 51 and name HB1) 1.8 0.0 1.7
assign (resid 52 and name HN) (resid 51 and name HB2) 1.8 0.0 3.2
assign (resid 52 and name HN) (resid 51 and name HA) 1.8 0.0 3.2
assign (resid 52 and name HN) (resid 53 and name HA#) 1.8 0.0 3.2
assign (resid 52 and name HB1) (resid 54 and name HD1#) 1.8 0.0 3.2
assign (resid 52 and name HB2) (resid 54 and name HD1#) 1.8 0.0 3.2
assign (resid 52 and name HB1) (resid 54 and name HG1#) 1.8 0.0 1.7
assign (resid 52 and name HB2) (resid 54 and name HG1#) 1.8 0.0 3.2
assign (resid 52 and name HB1) (resid 54 and name HG2#) 1.8 0.0 3.2
assign (resid 52 and name HB2) (resid 54 and name HG2#) 1.8 0.0 4.2
assign (resid 52 and name HN) (resid 54 and name HN) 1.8 0.0 3.2
assign (resid 52 and name HB#) (resid 76 and (name HG1# or name HG2#)) 1.8 0.0 4.2 !Key
! violated 20110923
assign (resid 52 and name HB1) (resid 80 and name HG2#) 1.8 0.0 3.2
assign (resid 52 and name HB2) (resid 80 and name HG2#) 1.8 0.0 3.2
!Gly-53
!intra
assign (resid 53 and name HA#) (resid 53 and name HN) 1.8 0.0 1.7
!inter
assign (resid 53 and name HN) (resid 54 and name HA) 1.8 0.0 3.5
assign (resid 53 and name HN) (resid 52 and name HB1) 1.8 0.0 3.2
assign (resid 53 and name HN) (resid 52 and name HB2) 1.8 0.0 3.2
assign (resid 53 and name HN) (resid 51 and name HB#) 1.8 0.0 4.2 !new
assign (resid 53 and name HN) (resid 51 and name HN) 1.8 0.0 3.2
!Ile-54
!intra
assign (resid 54 and name HB) (resid 54 and name HA) 1.8 0.0 1.7
assign (resid 54 and name HA) (resid 54 and name HN) 1.8 0.0 3.2
assign (resid 54 and name HG1#) (resid 54 and name HA) 1.8 0.0 1.7
assign (resid 54 and name HA) (resid 54 and name HG2#) 1.8 0.0 1.7
assign (resid 54 and name HG1#) (resid 54 and name HB) 1.8 0.0 1.7
assign (resid 54 and name HG2#) (resid 54 and name HB) 1.8 0.0 1.1
assign (resid 54 and name HN) (resid 54 and name HG2#)1.8 0.0 3.2
assign (resid 54 and name HG1#) (resid 54 and name HN) 1.8 0.0 1.7
assign (resid 54 and name HB) (resid 54 and name HD1#) 1.8 0.0 1.1
assign (resid 54 and name HB) (resid 54 and name HN) 1.8 0.0 3.2
assign (resid 54 and name HB) (resid 54 and name HG1#) 1.8 0.0 1.1
assign (resid 54 and name HB) (resid 54 and name HG2#) 1.8 0.0 1.1
assign (resid 54 and name HD1#) (resid 54 and name HG1#) 1.8 0.0 1.1
assign (resid 54 and name HN) (resid 54 and name HD1#) 1.8 0.0 1.7
assign (resid 54 and name HD1#) (resid 54 and name HA) 1.8 0.0 2.5
assign (resid 54 and name HG1#) (resid 54 and name HG2#) 1.8 0.0 1.1
!inter
assign (resid 54 and name HD1#) (resid 48 and name HB#) 1.8 0.0 3.2
assign (resid 54 and name HN) (resid 49 and name HB#) 1.8 0.0 3.5
assign (resid 54 and name HD1#) (resid 52 and name HB1) 1.8 0.0 1.7
assign (resid 54 and name HD1#) (resid 52 and name HB2) 1.8 0.0 1.7
assign (resid 54 and name HN) (resid 52 and name HB1) 1.8 0.0 3.2
assign (resid 54 and name HN) (resid 52 and name HB2) 1.8 0.0 3.2
assign (resid 54 and name HN) (resid 53 and name HN) 1.8 0.0 1.1
assign (resid 54 and name HA) (resid 55 and name HN) 1.8 0.0 1.1
assign (resid 54 and name HN) (resid 55 and name HN) 1.8 0.0 3.2
assign (resid 54 and name HD#) (resid 76 and name HA) 1.8 0.0 4.2
!!!assign (resid 54 and name HG2#) (resid 88 and name HB#) 1.8 0.0 4.2
!ALa-55
!intra
assign (resid 55 and name HA) (resid 55 and name HB#) 1.8 0.0 1.1
assign (resid 55 and name HA) (resid 55 and name HN) 1.8 0.0 1.7
assign (resid 55 and name HB#) (resid 55 and name HN) 1.8 0.0 1.7
!inter
assign (resid 55 and name HA) (resid 49 and name HB#) 1.8 0.0 3.2
assign (resid 55 and name HN) (resid 49 and name HB#) 1.8 0.0 3.2
assign (resid 55 and name HN) (resid 53 and name HA#) 1.8 0.0 4.2
!!!assign (resid 55 and name HB#) (resid 54 and name HA) 1.8 0.0 3.2
assign (resid 55 and name HN) (resid 54 and name HA) 1.8 0.0 3.2
assign (resid 55 and name HA) (resid 56 and name HN) 1.8 0.0 3.2
assign (resid 55 and name HN) (resid 56 and name HN) 1.8 0.0 4.2
assign (resid 55 and name HN) (resid 56 and name HB#) 1.8 0.0 4.2
assign (resid 55 and name HN) (resid 56 and name HA) 1.8 0.0 4.2
!Ala-56
!intra
assign (resid 56 and name HA) (resid 56 and name HB#) 1.8 0.0 1.1
assign (resid 56 and name HA) (resid 56 and name HN) 1.8 0.0 1.7
assign (resid 56 and name HB#) (resid 56 and name HN) 1.8 0.0 3.2
!inter
assign (resid 56 and name HA) (resid 57 and name HN) 1.8 0.0 1.7
assign (resid 56 and name HN) (resid 45 and name HG2#) 1.8 0.0 3.2
!Asp-57
!intra
assign (resid 57 and name HA) (resid 57 and name HN) 1.8 0.0 1.7
assign (resid 57 and name HA) (resid 57 and name HB1) 1.8 0.0 1.1
assign (resid 57 and name HA) (resid 57 and name HB2) 1.8 0.0 1.1
assign (resid 57 and name HN) (resid 57 and name HB1) 1.8 0.0 3.2
assign (resid 57 and name HN) (resid 57 and name HB2) 1.8 0.0 1.7
!inter
!!!assign (resid 57 and name HA) (resid 58 and name HN) 1.8 0.0 1.7
assign (resid 57 and name HN) (resid 58 and name HN) 1.8 0.0 1.1
assign (resid 57 and name HN) (resid 58 and name HA) 1.8 0.0 4.2
assign (resid 57 and name HN) (resid 58 and name HB#) 1.8 0.0 3.2
assign (resid 57 and name HN) (resid 56 and name HB#) 1.8 0.0 1.7
assign (resid 57 and name HN) (resid 56 and name HN) 1.8 0.0 1.7
assign (resid 57 and name HN) (resid 59 and (name HG1# or name HG2#)) 1.8 0.0 5.2
!Asp-58
!intra
assign (resid 58 and name HB1) (resid 58 and name HA) 1.8 0.0 1.1
assign (resid 58 and name HB2) (resid 58 and name HA) 1.8 0.0 1.1
assign (resid 58 and name HA) (resid 58 and name HN) 1.8 0.0 1.7
assign (resid 58 and name HB#) (resid 58 and name HN) 1.8 0.0 1.7
!inter
assign (resid 58 and name HN) (resid 56 and name HB#) 1.8 0.0 3.2
assign (resid 58 and name HN) (resid 57 and name HB#) 1.8 0.0 3.2
assign (resid 58 and name HN) (resid 59 and (name HG1# or name HG2#)) 1.8 0.0 3.2
!Val-59
!intra
assign (resid 59 and name HA) (resid 59 and name HB) 1.8 0.0 1.1
assign (resid 59 and name HA) (resid 59 and (name HG1# or name HG2#)) 1.8 0.0 1.7
assign (resid 59 and name HB) (resid 59 and (name HG1# or name HG2#)) 1.8 0.0 1.1
assign (resid 59 and name HB) (resid 59 and name HN) 1.8 0.0 3.2
assign (resid 59 and name HA) (resid 59 and name HN) 1.8 0.0 1.7
assign (resid 59 and name HN) (resid 59 and (name HG1# or name HG2#)) 1.8 0.0 1.7
!inter
assign (resid 59 and name HA) (resid 60 and name HN) 1.8 0.0 1.7
assign (resid 59 and name HB) (resid 60 and name HN) 1.8 0.0 3.2
assign (resid 59 and name HN) (resid 60 and name HN) 1.8 0.0 3.2
assign (resid 59 and name HN) (resid 58 and name HA) 1.8 0.0 1.7
assign (resid 59 and name HN) (resid 58 and name HB#) 1.8 0.0 3.2
!Gln-60
!intra
assign (resid 60 and name HA) (resid 60 and name HN) 1.8 0.0 1.7 ! strength unsure
assign (resid 60 and name HA) (resid 60 and name HG2) 1.8 0.0 1.7 ! double emerge
assign (resid 60 and name HA) (resid 60 and name HG1) 1.8 0.0 1.7 ! Manual add
assign (resid 60 and name HB1) (resid 60 and name HA) 1.8 0.0 1.7
assign (resid 60 and name HB2) (resid 60 and name HA) 1.8 0.0 1.7
assign (resid 60 and name HB1) (resid 60 and name HN) 1.8 0.0 3.2
assign (resid 60 and name HB2) (resid 60 and name HN) 1.8 0.0 3.2
assign (resid 60 and name HB1) (resid 60 and name HG1) 1.8 0.0 1.1
assign (resid 60 and name HB2) (resid 60 and name HG1) 1.8 0.0 1.1
assign (resid 60 and name HB1) (resid 60 and name HG2) 1.8 0.0 1.1
assign (resid 60 and name HB2) (resid 60 and name HG2) 1.8 0.0 1.1
assign (resid 60 and name HN) (resid 60 and name HG#) 1.8 0.0 3.2
!inter
assign (resid 60 and name HN) (resid 59 and (name HG1# or name HG2#)) 1.8 0.0 1.7
assign (resid 60 and name HA) (resid 61 and name HN) 1.8 0.0 1.7
assign (resid 60 and name HG2) (resid 61 and name HD#) 1.8 0.0 3.2
assign (resid 60 and name HG1) (resid 61 and name HD#) 1.8 0.0 3.2
assign (resid 60 and name HN) (resid 61 and name HN) 1.8 0.0 3.2
!!!assign (resid 60 and name HN) (resid 75 and name HA) 1.8 0.0 3.2 ! notproper
!seriously violated
!Leu-61
!intra
assign (resid 61 and name HA) (resid 61 and name HN) 1.8 0.0 1.1
assign (resid 61 and name HA) (resid 61 and name HB1) 1.8 0.0 1.7
assign (resid 61 and name HA) (resid 61 and name HB2) 1.8 0.0 1.7
assign (resid 61 and name HB1) (resid 61 and name HG) 1.8 0.0 1.1
assign (resid 61 and name HB2) (resid 61 and name HG) 1.8 0.0 1.1
assign (resid 61 and name HB1) (resid 61 and name HN) 1.8 0.0 3.2
assign (resid 61 and name HB2) (resid 61 and name HN) 1.8 0.0 3.2
assign (resid 61 and name HD2#) (resid 61 and name HA) 1.8 0.0 3.2
assign (resid 61 and name HD1#) (resid 61 and name HA) 1.8 0.0 3.2
assign (resid 61 and name HD1#) (resid 61 and name HB1) 1.8 0.0 1.7
assign (resid 61 and name HD1#) (resid 61 and name HB2) 1.8 0.0 1.7
assign (resid 61 and name HD2#) (resid 61 and name HB1) 1.8 0.0 1.7
assign (resid 61 and name HD2#) (resid 61 and name HB2) 1.8 0.0 1.7
assign (resid 61 and name HG) (resid 61 and name HA) 1.8 0.0 3.2
assign (resid 61 and name HG) (resid 61 and name HN) 1.8 0.0 3.2
assign (resid 61 and name HD1#) (resid 61 and name HG) 1.8 0.0 1.1
assign (resid 61 and name HD2#) (resid 61 and name HG) 1.8 0.0 1.1
assign (resid 61 and name HN) (resid 61 and name HD#) 1.8 0.0 3.2
!inter
!!!assign (resid 61 and name HB#) (resid 62 and name HB#) 1.8 0.0 3.2 ! L61HB2 S62HB2
assign (resid 61 and name HN) (resid 62 and name HN) 1.8 0.0 3.2
assign (resid 61 and name HN) (resid 60 and name HB#) 1.8 0.0 3.2
!Ser-62
!intra
assign (resid 62 and name HB1) (resid 62 and name HA) 1.8 0.0 1.1
assign (resid 62 and name HB2) (resid 62 and name HA) 1.8 0.0 1.1
assign (resid 62 and name HN) (resid 62 and name HA) 1.8 0.0 1.1
assign (resid 62 and name HB1) (resid 62 and name HN) 1.8 0.0 1.7
assign (resid 62 and name HB2) (resid 62 and name HN) 1.8 0.0 3.2
!inter
assign (resid 62 and name HN) (resid 61 and name HA) 1.8 0.0 1.7
assign (resid 62 and name HN) (resid 61 and name HB1) 1.8 0.0 3.2
assign (resid 62 and name HN) (resid 61 and name HB2) 1.8 0.0 3.2
assign (resid 62 and name HN) (resid 61 and name HD#) 1.8 0.0 3.2
!!!assign (resid 62 and name HN) (resid 63 and name HG#) 1.8 0.0 4.2
assign (resid 62 and name HN) (resid 66 and name HZ) 1.8 0.0 4.2
assign (resid 62 and name HB1) (resid 65 and name HN) 1.8 0.0 4.2 !add 201408
assign (resid 62 and name HB2) (resid 65 and name HN) 1.8 0.0 4.2 !add 201408
!Pro-63
!intra
assign (resid 63 and name HA) (resid 63 and name HB1) 1.8 0.0 1.1
! overlap with other signal
assign (resid 63 and name HA) (resid 63 and name HB2) 1.8 0.0 1.1
assign (resid 63 and name HB1) (resid 63 and name HD#) 1.8 0.0 1.7
assign (resid 63 and name HB2) (resid 63 and name HD#) 1.8 0.0 1.7
assign (resid 63 and name HG1) (resid 63 and name HA) 1.8 0.0 3.2
assign (resid 63 and name HG2) (resid 63 and name HA) 1.8 0.0 3.2
assign (resid 63 and name HG#) (resid 63 and name HB#) 1.8 0.0 1.1
! overlap with other signal
assign (resid 63 and name HG#) (resid 63 and name HD#) 1.8 0.0 1.1
! overlap with other signal
!inter
assign (resid 63 and name HA) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 4.5
! ?unsure
assign (resid 63 and name HD#) (resid 62 and name HA) 1.8 0.0 1.7
assign (resid 63 and name HA) (resid 64 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 63 and name HA) (resid 65 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 63 and name HA) (resid 66 and name HB1) 1.8 0.0 4.2 !add 201404
assign (resid 63 and name HA) (resid 66 and name HB2) 1.8 0.0 4.2 !add 201404
assign (resid 63 and name HA) (resid 66 and name HN) 1.8 0.0 3.2 !add 201404
!Glu-64
!intra
assign (resid 64 and name HA) (resid 64 and name HN) 1.8 0.0 1.7
assign (resid 64 and name HB1) (resid 64 and name HA) 1.8 0.0 1.1
assign (resid 64 and name HB2) (resid 64 and name HA) 1.8 0.0 1.1
assign (resid 64 and name HG1) (resid 64 and name HA) 1.8 0.0 1.7
assign (resid 64 and name HG2) (resid 64 and name HA) 1.8 0.0 1.7
assign (resid 64 and name HG1) (resid 64 and name HB1) 1.8 0.0 1.1
assign (resid 64 and name HG2) (resid 64 and name HB1) 1.8 0.0 1.1
assign (resid 64 and name HG1) (resid 64 and name HB2) 1.8 0.0 1.1
assign (resid 64 and name HG2) (resid 64 and name HB2) 1.8 0.0 1.1
assign (resid 64 and name HB1) (resid 64 and name HN) 1.8 0.0 3.2
assign (resid 64 and name HB2) (resid 64 and name HN) 1.8 0.0 3.2
assign (resid 64 and name HG1) (resid 64 and name HN) 1.8 0.0 3.2
assign (resid 64 and name HG2) (resid 64 and name HN) 1.8 0.0 3.2
!inter
assign (resid 64 and name HN) (resid 62 and name HA) 1.8 0.0 2.5
assign (resid 64 and name HN) (resid 62 and name HB1) 1.8 0.0 3.2
assign (resid 64 and name HN) (resid 62 and name HB2) 1.8 0.0 3.2
assign (resid 64 and name HN) (resid 62 and name HN) 1.8 0.0 4.2 !add 201404
assign (resid 64 and name HN) (resid 63 and name HB#) 1.8 0.0 1.7
assign (resid 64 and name HN) (resid 63 and name HA) 1.8 0.0 1.7
assign (resid 64 and name HN) (resid 66 and name HD#) 1.8 0.0 4.2 !add 201404
assign (resid 64 and name HN) (resid 65 and name HA) 1.8 0.0 4.2
assign (resid 64 and name HN) (resid 65 and name HN) 1.8 0.0 3.2
assign (resid 64 and name HA) (resid 67 and name HD#) 1.8 0.0 3.2
assign (resid 64 and name HA) (resid 67 and name HB1) 1.8 0.0 3.2 !add 201404
assign (resid 64 and name HA) (resid 67 and name HB2) 1.8 0.0 3.2 !add 201404
assign (resid 64 and name HA) (resid 65 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 64 and name HA) (resid 66 and name HN) 1.8 0.0 3.2 !add 201404
!His-65
!intra
assign (resid 65 and name HA) (resid 65 and name HN) 1.8 0.0 1.1
assign (resid 65 and name HB1) (resid 65 and name HA) 1.8 0.0 1.7
assign (resid 65 and name HB2) (resid 65 and name HA) 1.8 0.0 1.7
assign (resid 65 and name HB2) (resid 65 and name HN) 1.8 0.0 1.7 ! may 3.2
assign (resid 65 and name HB1) (resid 65 and name HN) 1.8 0.0 1.7
assign (resid 65 and name HN) (resid 65 and name HD#) 1.8 0.0 3.2
!!assign (resid 65 and name HN) (resid 65 and name HE#) 1.8 0.0 4.2
!inter
assign (resid 65 and name HN) (resid 64 and name HA) 1.8 0.0 1.7
!!assign (resid 65 and name HB#) (resid 67 and name HD1) 1.8 0.0 3.2 !HB2
!!assign (resid 65 and name HB#) (resid 67 and name HD2) 1.8 0.0 3.2 !HB2
!Phe-66
!intra
assign (resid 66 and name HN) (resid 66 and name HA) 1.8 0.0 1.7
assign (resid 66 and name HB1) (resid 66 and name HA) 1.8 0.0 1.7
assign (resid 66 and name HB2) (resid 66 and name HA) 1.8 0.0 1.7
assign (resid 66 and name HN) (resid 66 and name HB1) 1.8 0.0 3.2
assign (resid 66 and name HN) (resid 66 and name HB2) 1.8 0.0 3.2
!inter
assign (resid 66 and name HB2) (resid 30 and (name HD1# or name HD2#)) 1.8 0.0 4.2
assign (resid 66 and name HB1) (resid 30 and (name HD1# or name HD2#)) 1.8 0.0 4.2
assign (resid 66 and name HB#) (resid 31 and (name HG1# or name HG2#)) 1.8 0.0 3.2
assign (resid 66 and name HN) (resid 64 and name HA) 1.8 0.0 3.2
assign (resid 66 and name HN) (resid 65 and name HA) 1.8 0.0 1.7
assign (resid 66 and name HN) (resid 65 and name HB#) 1.8 0.0 2.5
assign (resid 66 and name HN) (resid 67 and name HN) 1.8 0.0 1.7
!Arg-67
!intra
assign (resid 67 and name HA) (resid 67 and name HN) 1.8 0.0 1.7
assign (resid 67 and name HB1) (resid 67 and name HG1) 1.8 0.0 1.1
assign (resid 67 and name HB2) (resid 67 and name HG1) 1.8 0.0 1.1
assign (resid 67 and name HG2) (resid 67 and name HB1) 1.8 0.0 1.1
assign (resid 67 and name HG2) (resid 67 and name HB2) 1.8 0.0 1.1
assign (resid 67 and name HD#) (resid 67 and name HB1) 1.8 0.0 1.7
assign (resid 67 and name HB2) (resid 67 and name HD#) 1.8 0.0 1.7
assign (resid 67 and name HA) (resid 67 and name HG1) 1.8 0.0 3.2
assign (resid 67 and name HA) (resid 67 and name HG2) 1.8 0.0 3.2
assign (resid 67 and name HA) (resid 67 and name HN) 1.8 0.0 1.7
assign (resid 67 and name HB1) (resid 67 and name HA) 1.8 0.0 1.7
assign (resid 67 and name HB2) (resid 67 and name HA) 1.8 0.0 1.7
assign (resid 67 and name HG1) (resid 67 and name HD#) 1.8 0.0 1.7
assign (resid 67 and name HG2) (resid 67 and name HD#) 1.8 0.0 1.7
assign (resid 67 and name HA) (resid 67 and name HD#) 1.8 0.0 3.2
assign (resid 67 and name HB1) (resid 67 and name HN) 1.8 0.0 3.2
assign (resid 67 and name HB2) (resid 67 and name HN) 1.8 0.0 3.2
assign (resid 67 and name HN) (resid 67 and name HD#) 1.8 0.0 3.2
assign (resid 67 and name HN) (resid 67 and name HG#) 1.8 0.0 3.2
assign (resid 67 and name HE) (resid 67 and name HD#) 1.8 0.0 1.1
assign (resid 67 and name HE) (resid 67 and name HB1) 1.8 0.0 4.2
assign (resid 67 and name HE) (resid 67 and name HB2) 1.8 0.0 4.2
assign (resid 67 and name HE) (resid 67 and name HG#) 1.8 0.0 3.2
!assign (resid 67 and name HE) (resid 67 and name HN) 1.8 0.0 3.2
!inter
assign (resid 67 and name HA) (resid 31 and (name HG1# or name HG2#)) 1.8 0.0 3.2
assign (resid 67 and name HN) (resid 31 and (name HG1# or name HG2#)) 1.8 0.0 4.2
assign (resid 67 and name HD#) (resid 31 and (name HG1# or name HG2#)) 1.8 0.0 4.2
!assign (resid 67 and name HD#) (resid 64 and name HA) 1.8 0.0 3.2
!!!assign (resid 67 and name HG#) (resid 64 and name HA) 1.8 0.0 4.2
! violated 20110923
assign (resid 67 and name HN) (resid 64 and name HA) 1.8 0.0 3.2
!!!assign (resid 67 and name HD#) (resid 66 and name HA) 1.8 0.0 3.2
assign (resid 67 and name HN) (resid 66 and name HA) 1.8 0.0 1.7
assign (resid 67 and name HA) (resid 68 and name HN) 1.8 0.0 3.2
assign (resid 67 and name HD#) (resid 68 and name HN) 1.8 0.0 3.2
assign (resid 67 and name HN) (resid 68 and name HN) 1.8 0.0 3.2
assign (resid 67 and name HN) (resid 31 and name HG#) 1.8 0.0 4.2
!!!assign (resid 67 and name HG#) (resid 69 and name HD1#) 1.8 0.0 4.2
! violated 20110920
!Ser-68
!intra
assign (resid 68 and name HB1) (resid 68 and name HA) 1.8 0.0 1.7
assign (resid 68 and name HB2) (resid 68 and name HA) 1.8 0.0 1.7
assign (resid 68 and name HN) (resid 68 and name HA) 1.8 0.0 1.7
assign (resid 68 and name HN) (resid 68 and name HB1) 1.8 0.0 3.2
assign (resid 68 and name HN) (resid 68 and name HB2) 1.8 0.0 3.2
!inter
assign (resid 68 and name HB1) (resid 29 and name HA) 1.8 0.0 3.2
assign (resid 68 and name HB2) (resid 29 and name HA) 1.8 0.0 3.2
assign (resid 68 and name HN) ( (resid 30 and name HN) or (resid 69 and name HN)) 1.8 0.0 3.2
assign (resid 68 and name HN) (resid 67 and name HB1) 1.8 0.0 3.2
assign (resid 68 and name HN) (resid 67 and name HB2) 1.8 0.0 3.2
assign (resid 68 and name HN) (resid 67 and name HG#) 1.8 0.0 3.2 ! HG1 sure
assign (resid 68 and name HB1) (resid 69 and name HN) 1.8 0.0 3.2
assign (resid 68 and name HB2) (resid 69 and name HN) 1.8 0.0 3.2
assign (resid 68 and name HN) (resid 71 and name HN) 1.8 0.0 3.2
assign (resid 68 and name HN) (resid 72 and name HD1#) 1.8 0.0 3.2
assign (resid 68 and name HN) (resid 72 and name HG1#) 1.8 0.0 3.2
assign (resid 68 and name HN) (resid 72 and name HN) 1.8 0.0 3.2
!Ile-69
!intra
assign (resid 69 and name HB) (resid 69 and name HD1#) 1.8 0.0 1.7
assign (resid 69 and name HB) (resid 69 and name HA) 1.8 0.0 1.7
assign (resid 69 and name HB) (resid 69 and name HN) 1.8 0.0 1.7
assign (resid 69 and name HG11) (resid 69 and name HA) 1.8 0.0 2.5
assign (resid 69 and name HG12) (resid 69 and name HA) 1.8 0.0 2.5
assign (resid 69 and name HN) (resid 69 and name HA) 1.8 0.0 1.7
assign (resid 69 and name HB) (resid 69 and name HG2#) 1.8 0.0 1.1
assign (resid 69 and name HG11) (resid 69 and name HB) 1.8 0.0 1.1
assign (resid 69 and name HG12) (resid 69 and name HB) 1.8 0.0 1.1
assign (resid 69 and name HG11) (resid 69 and name HD1#) 1.8 0.0 1.1 ! May 1.7
assign (resid 69 and name HG12) (resid 69 and name HD1#) 1.8 0.0 1.1
assign (resid 69 and name HG11) (resid 69 and name HG2#) 1.8 0.0 1.1
assign (resid 69 and name HG12) (resid 69 and name HG2#) 1.8 0.0 1.1
assign (resid 69 and name HG2#) (resid 69 and name HA) 1.8 0.0 1.1
assign (resid 69 and name HG2#) (resid 69 and name HB) 1.8 0.0 1.1
assign (resid 69 and name HD1#) (resid 69 and name HA) 1.8 0.0 3.2
assign (resid 69 and name HN) (resid 69 and name HD1#) 1.8 0.0 3.2
assign (resid 69 and name HN) (resid 69 and name HG11) 1.8 0.0 1.7
assign (resid 69 and name HN) (resid 69 and name HG12) 1.8 0.0 3.2
assign (resid 69 and name HN) (resid 69 and name HG2#) 1.8 0.0 1.7
!inter
assign (resid 69 and name HD1#) (resid 8 and name HA) 1.8 0.0 3.2
assign (resid 69 and name HD1#) (resid 8 and name HB#) 1.8 0.0 4.2 !Key
! violated 20110920
assign (resid 69 and name HG2#) (resid 8 and name HA) 1.8 0.0 4.2
assign (resid 69 and name HG1#) ((resid 24 and (name HG1# or name HG2#) or resid 72 and name HD1#)) 1.8 0.0 3.2
assign (resid 69 and name HB) (resid 26 and (name HG1# or name HG2#)) 1.8 0.0 3.2
assign (resid 69 and name HN) (resid 26 and name HA) 1.8 0.0 4.2 !Key
! violated 20110924
assign (resid 69 and name HD1#) (resid 26 and name HB) 1.8 0.0 3.2
assign (resid 69 and name HD1#) (resid 26 and name HA) 1.8 0.0 3.2
assign (resid 69 and name HG2#) (resid 26 and name HA) 1.8 0.0 3.2
assign (resid 69 and name HG2#) (resid 26 and name HB) 1.8 0.0 3.2
assign (resid 69 and name HN) (resid 68 and name HA) 1.8 0.0 1.7
assign (resid 69 and name HN) (resid 68 and name HB#) 1.8 0.0 3.2
assign (resid 69 and name HN) (resid 68 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 69 and name HA) (resid 72 and name HD1#) 1.8 0.0 3.2
assign (resid 69 and name HA) (resid 72 and name HN) 1.8 0.0 4.2 !add 201404
assign (resid 69 and name HA) (resid 73 and name HN) 1.8 0.0 4.2 !add 201404
assign (resid 69 and name HN) (resid 70 and name HN) 1.8 0.0 1.7
!Arg-70
!intra
assign (resid 70 and name HA) (resid 70 and name HG1) 1.8 0.0 3.2
assign (resid 70 and name HG2) (resid 70 and name HA) 1.8 0.0 1.7
assign (resid 70 and name HA) (resid 70 and name HN) 1.8 0.0 1.7
assign (resid 70 and name HB2) (resid 70 and name HN) 1.8 0.0 3.2
assign (resid 70 and name HB1) (resid 70 and name HN) 1.8 0.0 3.2
assign (resid 70 and name HB1) (resid 70 and name HA) 1.8 0.0 1.7
assign (resid 70 and name HB2) (resid 70 and name HA) 1.8 0.0 1.7
assign (resid 70 and name HB#) (resid 70 and name HG#) 1.8 0.0 1.7
assign (resid 70 and name HD#) (resid 70 and name HN) 1.8 0.0 3.2
assign (resid 70 and name HD1) (resid 70 and name HB#) 1.8 0.0 3.2
assign (resid 70 and name HD2) (resid 70 and name HB#) 1.8 0.0 3.2
assign (resid 70 and name HD1) (resid 70 and name HG2) 1.8 0.0 1.7
assign (resid 70 and name HD2) (resid 70 and name HG2) 1.8 0.0 1.7
assign (resid 70 and name HE) (resid 70 and name HD1) 1.8 0.0 1.1
assign (resid 70 and name HE) (resid 70 and name HD2) 1.8 0.0 1.1
assign (resid 70 and name HE) (resid 70 and name HB#) 1.8 0.0 3.2
assign (resid 70 and name HE) (resid 70 and name HG#) 1.8 0.0 1.7
assign (resid 70 and name HE) (resid 70 and name HN) 1.8 0.0 3.2
!inter
!!!assign (resid 70 and name HD1) (resid 29 and name HA) 1.8 0.0 3.2
!!!assign (resid 70 and name HD2) (resid 29 and name HA) 1.8 0.0 3.2
assign (resid 70 and name HA) (resid 69 and name HG1#) 1.8 0.0 4.2
assign (resid 70 and name HA) (resid 71 and name HN) 1.8 0.0 3.2
!overlap with other signal
assign (resid 70 and name HA) (resid 73 and name HB1) 1.8 0.0 3.2
assign (resid 70 and name HA) (resid 73 and name HB2) 1.8 0.0 3.2
assign (resid 70 and name HN) (resid 69 and name HA) 1.8 0.0 3.2
assign (resid 70 and name HN) (resid 69 and name HG2#) 1.8 0.0 3.2
assign (resid 70 and name HN) (resid 71 and name HN) 1.8 0.0 1.7
assign (resid 70 and name HN) (resid 71 and name HA) 1.8 0.0 4.2
! need checking 20110920
assign (resid 70 and name HA) (resid 72 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 70 and name HA) (resid 73 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 70 and name HN) (resid 73 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 70 and name HN) (resid 72 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 70 and name HN) (resid 73 and name HN) 1.8 0.0 3.2 !add 201404
!Ser-71
!intra
assign (resid 71 and name HA) (resid 71 and name HB#) 1.8 0.0 1.1
assign (resid 71 and name HN) (resid 71 and name HA) 1.8 0.0 1.7
assign (resid 71 and name HN) (resid 71 and name HB1) 1.8 0.0 1.7
assign (resid 71 and name HN) (resid 71 and name HB2) 1.8 0.0 1.7
!inter
assign (resid 71 and name HN) (resid 70 and name HE) 1.8 0.0 3.2 !add 201404
assign (resid 71 and name HN) (resid 72 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 71 and name HN) (resid 73 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 71 and name HA) (resid 74 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 71 and name HN) (resid 74 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 71 and name HA) (resid 74 and name HB#) 1.8 0.0 3.2 !add 201404
!Ile-72
!intra
assign (resid 72 and name HB) (resid 72 and name HD1#) 1.8 0.0 1.1
assign (resid 72 and name HB) (resid 72 and name HG2#) 1.8 0.0 1.1
assign (resid 72 and name HB) (resid 72 and name HA) 1.8 0.0 1.7
assign (resid 72 and name HD1#) (resid 72 and name HG11) 1.8 0.0 1.1
assign (resid 72 and name HD1#) (resid 72 and name HG12) 1.8 0.0 1.1
assign (resid 72 and name HD1#) (resid 72 and name HG2#) 1.8 0.0 1.1
assign (resid 72 and name HG2#) (resid 72 and name HA) 1.8 0.0 1.1
assign (resid 72 and name HG2#) (resid 72 and name HD1#) 1.8 0.0 1.1
assign (resid 72 and name HG2#) (resid 72 and name HG1#) 1.8 0.0 1.1
assign (resid 72 and name HD1#) (resid 72 and name HA) 1.8 0.0 3.2
assign (resid 72 and name HG11) (resid 72 and name HA) 1.8 0.0 3.2
assign (resid 72 and name HG12) (resid 72 and name HA) 1.8 0.0 1.7
assign (resid 72 and name HB) (resid 72 and name HG11) 1.8 0.0 1.7
assign (resid 72 and name HB) (resid 72 and name HG12) 1.8 0.0 1.7
assign (resid 72 and name HB) (resid 72 and name HN) 1.8 0.0 1.7
assign (resid 72 and name HN) (resid 72 and name HG2#) 1.8 0.0 1.7
assign (resid 72 and name HN) (resid 72 and name HG1#) 1.8 0.0 1.1
assign (resid 72 and name HN) (resid 72 and name HD1#) 1.8 0.0 1.7
!inter
assign (resid 72 and name HN) (resid 71 and name HN) 1.8 0.0 1.7
assign (resid 72 and name HN) (resid 71 and name HA) 1.8 0.0 3.2
assign (resid 72 and name HD1#) (resid 65 and name HE2) 1.8 0.0 4.2
!!!assign (resid 72 and name HD1#) (resid 66 and name HB#) 1.8 0.0 4.2
! assign (resid 72 and name HN) (resid 67 and name HA) 1.8 0.0 4.2
assign (resid 72 and name HD1#) (resid 69 and name HA) 1.8 0.0 3.2
assign (resid 72 and name HB) (resid 69 and name HA) 1.8 0.0 3.2
assign (resid 72 and name HN) (resid 69 and name HA) 1.8 0.0 3.2
assign (resid 72 and name HN) (resid 73 and name HB#) 1.8 0.0 3.2
assign (resid 72 and name HN) (resid 73 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 72 and name HN) (resid 74 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 72 and name HN) (resid 75 and name HN) 1.8 0.0 3.2 !add 201404
!Asp-73
!intra
assign (resid 73 and name HA) (resid 73 and name HB1) 1.8 0.0 1.7
assign (resid 73 and name HA) (resid 73 and name HB2) 1.8 0.0 1.7
assign (resid 73 and name HA) (resid 73 and name HN) 1.8 0.0 1.7
assign (resid 73 and name HB1) (resid 73 and name HA) 1.8 0.0 1.7
assign (resid 73 and name HB2) (resid 73 and name HA) 1.8 0.0 1.7
assign (resid 73 and name HN) (resid 73 and name HB1) 1.8 0.0 1.7
assign (resid 73 and name HN) (resid 73 and name HB2) 1.8 0.0 1.7
!inter
assign (resid 73 and name HA) (resid 7 and name HD1#) 1.8 0.0 3.2
!assign (resid 73 and name HB1) (resid 7 and name HD1#) 1.8 0.0 1.7 ! repeated
!assign (resid 73 and name HB2) (resid 7 and name HD1#) 1.8 0.0 1.7
assign (resid 73 and name HB#) (resid 74 and name HN) 1.8 0.0 3.2 ! HB2
assign (resid 73 and name HN) (resid 74 and name HB#) 1.8 0.0 3.2
assign (resid 73 and name HA) (resid 72 and name HG1#) 1.8 0.0 4.2 !HG11
assign (resid 73 and name HN) (resid 72 and name HD1#) 1.8 0.0 3.2
assign (resid 73 and name HN) (resid 72 and name HG2#) 1.8 0.0 3.2
assign (resid 73 and name HN) (resid 72 and name HB) 1.8 0.0 1.7
assign (resid 73 and name HA) (resid 74 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 73 and name HA) (resid 76 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 73 and name HA) (resid 76 and name HB) 1.8 0.0 3.2 !add 201404
assign (resid 73 and name HB#) (resid 74 and name HB#) 1.8 0.0 3.2 !add 201404
!Ala-74
!intra
assign (resid 74 and name HA) (resid 74 and name HB#) 1.8 0.0 1.1
assign (resid 74 and name HB#) (resid 74 and name HN) 1.8 0.0 1.1
assign (resid 74 and name HN) (resid 74 and name HA) 1.8 0.0 1.1
!inter
!assign (resid 74 and name HN) (resid 73 and name HB2) 1.8 0.0 3.2
!assign (resid 74 and name HN) (resid 73 and name HB1) 1.8 0.0 3.2
! 20110919
assign (resid 74 and name HN) (resid 73 and name HN) 1.8 0.0 3.2
!assign (resid 74 and name HA) (resid 77 and name HB) 1.8 0.0 1.7
!assign (resid 74 and name HA) (resid 77 and (name HG1# or name HG2#)) 1.8 0.0 1.7 ! HG2#
!assign (resid 74 and name HB#) (resid 75 and name HN) 1.8 0.0 1.7
!assign (resid 74 and name HN) (resid 75 and name HN) 1.8 0.0 1.7
!assign (resid 74 and name HN) (resid 75 and name HB1) 1.8 0.0 3.2
!assign (resid 74 and name HN) (resid 75 and name HB2) 1.8 0.0 4.2
assign (resid 74 and name HA) (resid 77 and name HB) 1.8 0.0 3.2 !add 201404
assign (resid 74 and name HB#) (resid 72 and name HA) 1.8 0.0 3.2 !add 201404
assign (resid 74 and name HN) (resid 77 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 74 and name HN) (resid 76 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 74 and name HN) (resid 78 and name HN) 1.8 0.0 4.2 !add 201404
!Phe-75
!intra
assign (resid 75 and name HA) (resid 75 and name HB1) 1.8 0.0 1.1 ! may 1.7
assign (resid 75 and name HA) (resid 75 and name HB2) 1.8 0.0 1.7
assign (resid 75 and name HA) (resid 75 and name HN) 1.8 0.0 1.7
assign (resid 75 and name HB1) (resid 75 and name HN) 1.8 0.0 1.7
assign (resid 75 and name HB2) (resid 75 and name HN) 1.8 0.0 1.7
!inter
assign (resid 75 and name HB2) (resid 72 and name HA) 1.8 0.0 3.2
assign (resid 75 and name HB1) (resid 72 and name HA) 1.8 0.0 3.2
assign (resid 75 and name HN) (resid 72 and name HA) 1.8 0.0 1.7
assign (resid 75 and name HN) (resid 72 and name HG2#) 1.8 0.0 3.2
assign (resid 75 and name HN) (resid 74 and name HA) 1.8 0.0 1.7
assign (resid 75 and name HN) (resid 74 and name HB#) 1.8 0.0 1.7
assign (resid 75 and name HN) (resid 73 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 75 and name HN) (resid 78 and name HN) 1.8 0.0 3.2 !add 201404
!Val-76
!intra
assign (resid 76 and name HA) (resid 76 and name HB) 1.8 0.0 1.7
assign (resid 76 and name HA) (resid 76 and name HG1#) 1.8 0.0 1.7
assign (resid 76 and name HA) (resid 76 and name HG2#) 1.8 0.0 1.7
assign (resid 76 and name HB) (resid 76 and name HG1#) 1.8 0.0 1.1
assign (resid 76 and name HB) (resid 76 and name HG2#) 1.8 0.0 1.1
assign (resid 76 and name HN) (resid 76 and name HA) 1.8 0.0 1.7
assign (resid 76 and name HB) (resid 76 and name HN) 1.8 0.0 1.7
assign (resid 76 and name HN) (resid 76 and name HG2#) 1.8 0.0 1.1
assign (resid 76 and name HN) (resid 76 and name HG1#) 1.8 0.0 1.7
!inter
assign (resid 76 and name HN) (resid 65 and name HE1) 1.8 0.0 3.2
assign (resid 76 and name HN) (resid 75 and name HA) 1.8 0.0 2.5
assign (resid 76 and name HN) (resid 75 and name HB1) 1.8 0.0 2.5
assign (resid 76 and name HN) (resid 75 and name HB2) 1.8 0.0 2.5
assign (resid 76 and name HN) (resid 77 and name HG#) 1.8 0.0 3.2 ! HG2#
assign (resid 76 and name HN) (resid 78 and name HN) 1.8 0.0 3.2
assign (resid 76 and name HA) (resid 79 and name HB#) 1.8 0.0 4.2
assign (resid 76 and name HB) (resid 77 and name HG#) 1.8 0.0 3.2
assign (resid 76 and name HB) (resid 77 and name HN) 1.8 0.0 2.5
assign (resid 76 and (name HG1# or name HG2#)) (resid 80 and name HG#) 1.8 0.0 3.2
!!!assign (resid 76 and name HG2#) (resid 48 and name HD#) 1.8 0.0 4.2 ! HD1#
!!!assign (resid 76 and name HG1#) (resid 48 and name HD#) 1.8 0.0 4.2
assign (resid 76 and (name HG1# or name HG2#)) (resid 77 and name HA) 1.8 0.0 3.2
assign (resid 76 and (name HG1# or name HG2#)) (resid 75 and name HB2) 1.8 0.0 3.2
assign (resid 76 and (name HG1# or name HG2#)) (resid 75 and name HB1) 1.8 0.0 3.2
assign (resid 76 and (name HG1# or name HG2#)) (resid 77 and name HG#) 1.8 0.0 1.7
!assign (resid 76 and (name HG1# or name HG2#)) (resid 77 and (name HG1# or name HG2#)) 1.8 0.0 3.2
assign (resid 76 and name HN) (resid 77 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 76 and name HA) (resid 77 and name HN) 1.8 0.0 3.2 !add 201404
!Val-77
!intra
assign (resid 77 and name HA) (resid 77 and name HB) 1.8 0.0 1.7
assign (resid 77 and name HA) (resid 77 and name HN) 1.8 0.0 1.7
assign (resid 77 and name HA) (resid 77 and name HG1#) 1.8 0.0 1.7
assign (resid 77 and name HA) (resid 77 and name HG2#) 1.8 0.0 1.7
assign (resid 77 and name HB) (resid 77 and name HN) 1.8 0.0 1.7
assign (resid 77 and name HG1#) (resid 77 and name HN) 1.8 0.0 1.7
assign (resid 77 and name HN) (resid 77 and name HG2#) 1.8 0.0 1.7
assign (resid 77 and name HB) (resid 77 and name HG1#) 1.8 0.0 1.1
assign (resid 77 and name HB) (resid 77 and name HG2#) 1.8 0.0 1.1
!inter
assign (resid 77 and name HG2#) (resid 2 and name HB#) 1.8 0.0 1.7
assign (resid 77 and name HN) (resid 74 and name HA) 1.8 0.0 1.7
!assign (resid 77 and name HG#) (resid 74 and name HA) 1.8 0.0 1.7
!assign (resid 77 and name HB) (resid 74 and name HA) 1.8 0.0 1.1
!assign (resid 77 and name HG#) (resid 76 and (name HG1# or name HG2#)) 1.8 0.0 3.2
assign (resid 77 and name HN) (resid 76 and name HN) 1.8 0.0 1.1
assign (resid 77 and name HN) (resid 76 and (name HG1# or name HG2#)) 1.8 0.0 3.2
assign (resid 77 and name HB) (resid 78 and name HN) 1.8 0.0 1.7
assign (resid 77 and name HN) (resid 78 and name HN) 1.8 0.0 1.7
assign (resid 77 and name HA) (resid 78 and name HN) 1.8 0.0 3.2 !add 201404
assign (resid 77 and name HN) (resid 79 and name HN) 1.8 0.0 3.2 !add 201404
!Gly-78
!intra
assign (resid 78 and name HN) (resid 78 and name HA#) 1.8 0.0 1.1
!inter
!assign (resid 78 and name HA#) (resid 77 and name HG1#) 1.8 0.0 3.2
assign (resid 78 and name HN) (resid 75 and name HN) 1.8 0.0 3.2
assign (resid 78 and name HN) (resid 77 and name HG1#) 1.8 0.0 3.2
assign (resid 78 and name HN) (resid 77 and name HG2#) 1.8 0.0 3.2
assign (resid 78 and name HN) (resid 77 and name HA) 1.8 0.0 3.2
assign (resid 78 and name HN) (resid 79 and name HN) 1.8 0.0 1.1
assign (resid 78 and name HA#) (resid 79 and name HN) 1.8 0.0 3.2 !add 201404
!Ala-79
!intra
assign (resid 79 and name HA) (resid 79 and name HB#) 1.8 0.0 1.1
assign (resid 79 and name HB#) (resid 79 and name HN) 1.8 0.0 1.7
assign (resid 79 and name HN) (resid 79 and name HA) 1.8 0.0 1.1
!inter
assign (resid 79 and name HN) (resid 76 and name HA) 1.8 0.0 3.2
assign (resid 79 and name HN) (resid 78 and name HA#) 1.8 0.0 1.1
assign (resid 79 and name HN) (resid 77 and name HB) 1.8 0.0 3.2
assign (resid 79 and name HN) (resid 77 and (name HG2# or name HG1#)) 1.8 0.0 3.2
assign (resid 79 and name HB#) (resid 80 and name HB) 1.8 0.0 4.2
!Thr-80
!intra
assign (resid 80 and name HA) (resid 80 and name HG2#) 1.8 0.0 1.7
assign (resid 80 and name HA) (resid 80 and name HN) 1.8 0.0 1.7
assign (resid 80 and name HB) (resid 80 and name HA) 1.8 0.0 1.1
assign (resid 80 and name HB) (resid 80 and name HN) 1.8 0.0 3.2
assign (resid 80 and name HB) (resid 80 and name HG2#) 1.8 0.0 1.1
assign (resid 80 and name HG2#) (resid 80 and name HA) 1.8 0.0 1.7
assign (resid 80 and name HG2#) (resid 80 and name HN) 1.8 0.0 3.2
!inter
assign (resid 80 and name HN) (resid 78 and name HA#) 1.8 0.0 3.2
assign (resid 80 and name HN) (resid 78 and name HN) 1.8 0.0 3.2
assign (resid 80 and name HA) (resid 79 and name HB#) 1.8 0.0 3.2
assign (resid 80 and name HN) (resid 79 and name HB#) 1.8 0.0 1.7
assign (resid 80 and name HN) (resid 79 and name HA) 1.8 0.0 1.7
assign (resid 80 and name HN) (resid 76 and (name HG1# or name HG2#)) 1.8 0.0 3.2
assign (resid 80 and name HN) (resid 81 and name HN) 1.8 0.0 3.2
assign (resid 80 and name HN) (resid 81 and name HG2#) 1.8 0.0 3.2
assign (resid 80 and name HN) (resid 81 and name HA) 1.8 0.0 4.2
assign (resid 80 and name HA) (resid 81 and name HN) 1.8 0.0 1.7
assign (resid 80 and name HB) (resid 81 and name HA) 1.8 0.0 4.2
assign (resid 80 and name HG2#) (resid 52 and name HB2) 1.8 0.0 3.2
assign (resid 80 and name HG2#) (resid 52 and name HB1) 1.8 0.0 3.2
assign (resid 80 and name HG2#) (resid 54 and name HD1#) 1.8 0.0 3.2
!Thr-81
!intra
assign (resid 81 and name HA) (resid 81 and name HG2#) 1.8 0.0 1.7
assign (resid 81 and name HB) (resid 81 and name HG2#) 1.8 0.0 1.1
assign (resid 81 and name HB) (resid 81 and name HA) 1.8 0.0 1.7
assign (resid 81 and name HB) (resid 81 and name HN) 1.8 0.0 1.7
assign (resid 81 and name HN) (resid 81 and name HA) 1.8 0.0 1.1
assign (resid 81 and name HN) (resid 81 and name HG2#) 1.8 0.0 3.2
!inter
assign (resid 81 and name HB) (resid 79 and name HN) 1.8 0.0 4.5
assign (resid 81 and name HN) (resid 79 and name HB#) 1.8 0.0 4.2
assign (resid 81 and name HG2#) (resid 80 and name HA) 1.8 0.0 4.2
assign (resid 81 and name HB) (resid 80 and name HA) 1.8 0.0 4.2
assign (resid 81 and name HN) (resid 80 and name HG2#) 1.8 0.0 3.2
!assign (resid 81 and name HA) (resid 82 and name HD#) 1.8 0.0 1.7
assign (resid 81 and name HB) (resid 82 and name HD#) 1.8 0.0 3.2
assign (resid 81 and name HG2#) (resid 82 and name HD#) 1.8 0.0 3.2
!Pro-82
assign (resid 82 and name HB2) (resid 82 and name HA) 1.8 0.0 1.1
assign (resid 82 and name HB1) (resid 82 and name HA) 1.8 0.0 1.7
assign (resid 82 and name HB#) (resid 82 and name HG#) 1.8 0.0 1.1
assign (resid 82 and name HD1) (resid 82 and name HA) 1.8 0.0 2.5
assign (resid 82 and name HD2) (resid 82 and name HA) 1.8 0.0 2.5
assign (resid 82 and name HD2) (resid 82 and name HG#) 1.8 0.0 1.1
assign (resid 82 and name HD1) (resid 82 and name HG#) 1.8 0.0 1.1
!assign (resid 82 and name HB#) (resid 82 and name HD#) 1.8 0.0 1.7
!inter
assign (resid 82 and name HB#) (resid 83 and name HD1) 1.8 0.0 3.2
!Pro-83
!assign (resid 83 and name HA) (resid 83 and name HG#) 1.8 0.0 3.2
!assign (resid 83 and name HB2) (resid 83 and name HA) 1.8 0.0 1.7
!assign (resid 83 and name HB1) (resid 83 and name HA) 1.8 0.0 1.7
!assign (resid 83 and name HD1) (resid 83 and name HG#) 1.8 0.0 1.1
!assign (resid 83 and name HD2) (resid 83 and name HG#) 1.8 0.0 1.1
!assign (resid 83 and name HG#) (resid 83 and name HB#) 1.8 0.0 1.1
!assign (resid 83 and name HD1) (resid 83 and name HB#) 1.8 0.0 1.7
!assign (resid 83 and name HD2) (resid 83 and name HB#) 1.8 0.0 1.7
!inter
!assign (resid 83 and name HG#) (resid 82 and name HA) 1.8 0.0 3.2
!assign (resid 83 and name HD#) (resid 82 and name HB#) 1.8 0.0 1.7
!assign (resid 83 and name HD1) (resid 82 and name HA) 1.8 0.0 1.1
!assign (resid 83 and name HD2) (resid 82 and name HA) 1.8 0.0 1.1
!assign (resid 83 and name HA) (resid 84 and name HN) 1.8 0.0 1.7
!assign (resid 83 and name HD#) (resid 86 and name HN) 1.8 0.0 3.2 !HD2
!Val-84
!intra
!assign (resid 84 and name HA) (resid 84 and name HB) 1.8 0.0 1.7
!assign (resid 84 and name HA) (resid 84 and name HG#) 1.8 0.0 1.7
!assign (resid 84 and name HB) (resid 84 and name HG#) 1.8 0.0 1.1
!assign (resid 84 and name HB) (resid 84 and name HN) 1.8 0.0 3.2
!assign (resid 84 and name HN) (resid 84 and name HG#) 1.8 0.0 1.7
!inter
assign (resid 84 and name HN) (resid 83 and name HB1) 1.8 0.0 3.2
assign (resid 84 and name HN) (resid 83 and name HB2) 1.8 0.0 1.7
assign (resid 84 and name HA) (resid 85 and name HN) 1.8 0.0 1.7
!Glu-85
!intra
assign (resid 85 and name HA) (resid 85 and name HN) 1.8 0.0 1.1
assign (resid 85 and name HA) (resid 85 and name HB#) 1.8 0.0 1.7
assign (resid 85 and name HN) (resid 85 and name HB1) 1.8 0.0 3.2
assign (resid 85 and name HN) (resid 85 and name HB2) 1.8 0.0 3.2
!inter
assign (resid 85 and name HN) (resid 84 and name HG#) 1.8 0.0 1.7
!Ala-86
!Lys-87
assign (resid 80 and name HA) (resid 81 and name HN) 1.8 0.0 1.7
!Leu-88
!intra
!assign (resid 88 and name HA) (resid 88 and name HB#) 1.8 0.0 1.1
!assign (resid 88 and name HD#) (resid 88 and name HA) 1.8 0.0 1.1
!inter
!assign (resid 88 and name HD#) (resid 87 and name HD#) 1.8 0.0 3.2
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