NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
520480 2lgl 17813 cing 1-original 1 XPLOR/CNS distance NOE ambi


! S12

! intra

! inter








! C13

! intra

assign (resid 315 and name HN) (resid 315 and name HA) 1.8 0.0 1.7

assign (resid 315 and name HN) (resid 315 and name HB2) 1.8 0.0 1.7
assign (resid 315 and name HN) (resid 315 and name HB1) 1.8 0.0 1.7

! inter

assign (resid 315 and name HN) (resid 314 and name HA) 1.8 0.0 1.7

assign (resid 315 and name HN) (resid 314 and name HB#) 1.8 0.0 1.7

assign (resid 315 and name HN) (resid 316 and name HN) 1.8 0.0 3.2







! K14

! intra

assign (resid 316 and name HN) (resid 316 and name HA) 1.8 0.0 1.1

assign (resid 316 and name HN) (resid 316 and name HB#) 1.8 0.0 1.1

assign (resid 316 and name HN) (resid 316 and name HE#) 1.8 0.0 3.2

assign (resid 316 and name HN) (resid 316 and name HG1) 1.8 0.0 3.2
assign (resid 316 and name HN) (resid 316 and name HG2) 1.8 0.0 3.2

assign (resid 316 and name HE#) (resid 316 and name HG1) 1.8 0.0 1.7
assign (resid 316 and name HE#) (resid 316 and name HG2) 1.8 0.0 1.7


assign (resid 316 and name HA) (resid 316 and name HG#) 1.8 0.0 1.7





! inter

assign (resid 316 and name HN) (resid 315 and name HA) 1.8 0.0 1.1

assign (resid 316 and name HN) (resid 315 and name HB1) 1.8 0.0 3.2
assign (resid 316 and name HN) (resid 315 and name HB2) 1.8 0.0 3.2

assign (resid 316 and name HN) (resid 317 and name HN) 1.8 0.0 1.1

assign (resid 316 and name HN) (resid 317 and name HB#) 1.8 0.0 3.2

!! assign (resid 316 and name HN) (resid 318 and name HA) 1.8 0.0 4.2

assign (resid 316 and name HN) (resid 318 and name HN) 1.8 0.0 3.2


assign (resid 316 and name HA) (resid 319 and name HN) 1.8 0.0 3.2

!! assign (resid 316 and name HB#) (resid 313 and name HD#) 1.8 0.0 3.2  ! check

!! assign (resid 316 and name HB#) (resid 325 and name HA) 1.8 0.0 3.2  ! check








! H15

! intra

assign (resid 317 and name HN) (resid 317 and name HA) 1.8 0.0 1.1

assign (resid 317 and name HB1) (resid 317 and name HN) 1.8 0.0 3.2
assign (resid 317 and name HB2) (resid 317 and name HN) 1.8 0.0 1.7



! inter

assign (resid 317 and name HN) (resid 315 and name HA) 1.8 0.0 3.2

assign (resid 317 and name HN) (resid 315 and name HB#) 1.8 0.0 3.2

assign (resid 317 and name HN) (resid 316 and name HA) 1.8 0.0 1.7

assign (resid 317 and name HN) (resid 316 and name HB#) 1.8 0.0 3.2

assign (resid 317 and name HN) (resid 316 and name HG1) 1.8 0.0 3.2
assign (resid 317 and name HN) (resid 316 and name HG2) 1.8 0.0 3.2

assign (resid 317 and name HN) (resid 318 and name HN) 1.8 0.0 1.1

assign (resid 317 and name HN) (resid 318 and name HA) 1.8 0.0 4.2

assign (resid 317 and name HN) (resid 318 and name HB#) 1.8 0.0 3.2

assign (resid 317 and name HN) (resid 319 and name HN) 1.8 0.0 3.2

assign (resid 317 and name HN) (resid 328 and name HG1#) 1.8 0.0 3.2
assign (resid 317 and name HN) (resid 328 and name HG2#) 1.8 0.0 3.2

assign (resid 317 and name HA) (resid 316 and name HN) 1.8 0.0 3.2

assign (resid 317 and name HB1) (resid 328 and (name HG1# or name HG2#)) 1.8 0.0 3.2
assign (resid 317 and name HB2) (resid 328 and (name HG1# or name HG2#)) 1.8 0.0 3.2







! C16

! intra

assign (resid 318 and name HN) (resid 318 and name HA) 1.8 0.0 1.1

assign (resid 318 and name HN) (resid 318 and name HB1) 1.8 0.0 1.7
assign (resid 318 and name HN) (resid 318 and name HB2) 1.8 0.0 1.7


! inter

assign (resid 318 and name HN) (resid 315 and name HB1) 1.8 0.0 3.2
assign (resid 318 and name HN) (resid 315 and name HB2) 1.8 0.0 3.2

assign (resid 318 and name HN) (resid 316 and name HB#) 1.8 0.0 4.2

assign (resid 318 and name HN) (resid 317 and name HA) 1.8 0.0 1.7

assign (resid 318 and name HN) (resid 328 and name HG1#) 1.8 0.0 4.2  ! violated
assign (resid 318 and name HN) (resid 328 and name HG2#) 1.8 0.0 4.2

assign (resid 318 and name HN) (resid 319 and name HN) 1.8 0.0 1.1

assign (resid 318 and name HN) (resid 319 and name HA) 1.8 0.0 3.2

!! assign (resid 318 and name HN) (resid 319 and name HB1) 1.8 0.0 4.2
assign (resid 318 and name HN) (resid 319 and name HB#) 1.8 0.0 3.2

assign (resid 318 and name HN) (resid 320 and name HN) 1.8 0.0 3.2








! K17


! intra

assign (resid 319 and name HN) (resid 319 and name HA) 1.8 0.0 1.1

assign (resid 319 and name HN) (resid 319 and name HB1) 1.8 0.0 3.2
assign (resid 319 and name HN) (resid 319 and name HB2) 1.8 0.0 3.2

assign (resid 319 and name HN) (resid 319 and name HD#) 1.8 0.0 3.2

assign (resid 319 and name HN) (resid 319 and name HG1) 1.8 0.0 3.2
assign (resid 319 and name HN) (resid 319 and name HG2) 1.8 0.0 3.2

assign (resid 319 and name HA) (resid 319 and name HD#) 1.8 0.0 3.2

assign (resid 319 and name HB#) (resid 319 and name HE#) 1.8 0.0 3.2

assign (resid 319 and name HG1) (resid 319 and name HA) 1.8 0.0 1.7
assign (resid 319 and name HG2) (resid 319 and name HA) 1.8 0.0 1.7

assign (resid 319 and name HG#) (resid 319 and name HE#) 1.8 0.0 1.7



! inter

assign (resid 319 and name HN) (resid 318 and name HA) 1.8 0.0 1.7

assign (resid 319 and name HN) (resid 318 and name HB1) 1.8 0.0 3.2
assign (resid 319 and name HN) (resid 318 and name HB2) 1.8 0.0 3.2

! assign (resid 319 and name HA) (resid 318 and name HN) 1.8 0.0 1.1 ! repeated

assign (resid 319 and name HN) (resid 320 and name HN) 1.8 0.0 1.7








! D18

! intra

assign (resid 320 and name HN) (resid 320 and name HA) 1.8 0.0 1.7

assign (resid 320 and name HN) (resid 320 and name HB#) 1.8 0.0 1.7


! inter

assign (resid 320 and name HN) (resid 315 and name HB#) 1.8 0.0 4.2  ! check 091214
assign (resid 320 and name HN) (resid 315 and name HB2) 1.8 0.0 4.2

assign (resid 320 and name HN) (resid 316 and name HB#) 1.8 0.0 4.2  ! check
 
!! assign (resid 320 and name HA) (resid 317 and name HN) 1.8 0.0 3.2   ! check

assign (resid 320 and name HN) (resid 318 and name HA) 1.8 0.0 3.2


assign (resid 320 and name HN) (resid 319 and name HA) 1.8 0.0 1.7

assign (resid 320 and name HN) (resid 319 and name HN) 1.8 0.0 1.7


assign (resid 320 and name HN) (resid 321 and name HA) 1.8 0.0 4.2

assign (resid 320 and name HN) (resid 321 and name HN) 1.8 0.0 1.1

!!! assign (resid 320 and name HN) (resid 322 and name HN) 1.8 0.0 3.2  ! violated







! D19


! intra

assign (resid 321 and name HN) (resid 321 and name HA) 1.8 0.0 1.1

assign (resid 321 and name HN) (resid 321 and name HB#) 1.8 0.0 1.7


! inter

!! assign (resid 321 and name HN) (resid 315 and name HB#) 1.8 0.0 4.2  ! check

!! assign (resid 321 and name HN) (resid 319 and name HA) 1.8 0.0 4.2  ! check

assign (resid 321 and name HN) (resid 320 and name HA) 1.8 0.0 1.7

assign (resid 321 and name HN) (resid 320 and name HB1) 1.8 0.0 3.2
assign (resid 321 and name HN) (resid 320 and name HB2) 1.8 0.0 3.2

assign (resid 321 and name HN) (resid 320 and name HN) 1.8 0.0 1.1

assign (resid 321 and name HN) (resid 322 and name HA) 1.8 0.0 4.2

!! assign (resid 321 and name HA) (resid 318 and name HN) 1.8 0.0 4.2  ! check

assign (resid 321 and name HA) (resid 322 and (name HG1# or name HG2#)) 1.8 0.0 3.2







! V20

! intra

assign (resid 322 and name HN) (resid 322 and name HA) 1.8 0.0 1.1

assign (resid 322 and name HN) (resid 322 and name HB) 1.8 0.0 1.7

assign (resid 322 and name HN) (resid 322 and (name HG2# or name HG1#)) 1.8 0.0 1.7

assign (resid 322 and name HA) (resid 322 and name HG1#) 1.8 0.0 1.7
assign (resid 322 and name HA) (resid 322 and name HG2#) 1.8 0.0 1.7


! inter

assign (resid 322 and name HN) (resid 321 and name HA) 1.8 0.0 1.7

assign (resid 322 and name HN) (resid 323 and name HB#) 1.8 0.0 3.2

assign (resid 322 and name HA) (resid 324 and name HN) 1.8 0.0 3.2

!assign (resid 322 and (name HG1# or name HG2#)) (resid 8 and name HA) 1.8 0.0 3.2

!assign (resid 322 and (name HG1# or name HG2#)) (resid 8 and name HB#) 1.8 0.0 3.2

!! assign (resid 322 and (name HG1# or name HG2#)) (resid 9 and name HN) 1.8 0.0 3.2 ! check

!! assign (resid 322 and (name HG1# or name HG2#)) (resid 323 and name HA) 1.8 0.0 4.2

assign (resid 322 and (name HG1# or name HG2#)) (resid 323 and name HB#) 1.8 0.0 3.2

assign (resid 322 and (name HG1# or name HG2#)) (resid 323 and name HN) 1.8 0.0 1.7

!! assign (resid 322 and (name HG1# or name HG2#)) (resid 325 and name HB#) 1.8 0.0 4.2  ! check

!! assign (resid 322 and (name HG1# or name HG2#)) (resid 325 and name HN) 1.8 0.0 3.2  ! check








! N21

! intra

assign (resid 323 and name HN) (resid 323 and name HA) 1.8 0.0 1.1

assign (resid 323 and name HN) (resid 323 and name HB#) 1.8 0.0 1.7


! inter

assign (resid 323 and name HN) (resid 322 and name HA) 1.8 0.0 1.7

assign (resid 323 and name HN) (resid 322 and name HB) 1.8 0.0 3.2

! assign (resid 323 and name HN) (resid 322 and (name HG2# or name HG1#)) 1.8 0.0 1.1 ! repeated

assign (resid 323 and name HN) (resid 324 and name HN) 1.8 0.0 1.1

!!! assign (resid 323 and name HN) (resid 325 and name HG) 1.8 0.0 3.2  ! check

assign (resid 323 and name HB#) (resid 324 and name HN) 1.8 0.0 3.2

!!! assign (resid 323 and name HB#) (resid 325 and name HN) 1.8 0.0 3.2  ! check 091214








! R22

! intra

assign (resid 324 and name HN) (resid 324 and name HA) 1.8 0.0 1.1

assign (resid 324 and name HN) (resid 324 and name HB1) 1.8 0.0 3.2
assign (resid 324 and name HN) (resid 324 and name HB2) 1.8 0.0 3.2



! inter

assign (resid 324 and name HN) (resid 322 and name HG1#) 1.8 0.0 3.2
assign (resid 324 and name HN) (resid 322 and name HG2#) 1.8 0.0 3.2

assign (resid 324 and name HN) (resid 323 and name HA) 1.8 0.0 1.7

! assign (resid 324 and name HN) (resid 323 and name HB#) 1.8 0.0 1.7 ! repeated

assign (resid 324 and name HA) (resid 325 and name HN) 1.8 0.0 1.7

!! assign (resid 324 and name HA) (resid 329 and name HN) 1.8 0.0 3.2  ! check

!! assign (resid 324 and name HB1) (resid 319 and name HN) 1.8 0.0 4.2
!! assign (resid 324 and name HB2) (resid 319 and name HN) 1.8 0.0 4.2










! L23

! intra

assign (resid 325 and name HN) (resid 325 and name HA) 1.8 0.0 1.1

assign (resid 325 and name HN) (resid 325 and name HB1) 1.8 0.0 1.7
assign (resid 325 and name HN) (resid 325 and name HB2) 1.8 0.0 1.7

assign (resid 325 and name HN) (resid 325 and (name HD1# or name HD2#)) 1.8 0.0 1.1

assign (resid 325 and name HN) (resid 325 and name HG) 1.8 0.0 1.1


assign (resid 325 and name HA) (resid 325 and name HD2#) 1.8 0.0 1.1

assign (resid 325 and name HB1) (resid 325 and name HD1#) 1.8 0.0 1.1
assign (resid 325 and name HB2) (resid 325 and name HD1#) 1.8 0.0 1.1
assign (resid 325 and name HB1) (resid 325 and name HD2#) 1.8 0.0 1.1
assign (resid 325 and name HB2) (resid 325 and name HD2#) 1.8 0.0 1.1

assign (resid 325 and name HG) (resid 325 and name HA) 1.8 0.0 1.7


! inter

assign (resid 325 and name HN) (resid 318 and name HA) 1.8 0.0 4.2

! assign (resid 325 and name HN) (resid 324 and name HA) 1.8 0.0 1.1  ! repeated

assign (resid 325 and name HN) (resid 324 and name HB1) 1.8 0.0 3.2
assign (resid 325 and name HN) (resid 324 and name HB2) 1.8 0.0 3.2

assign (resid 325 and name HN) (resid 324 and name HN) 1.8 0.0 3.2

!! assign (resid 325 and name HN) (resid 335 and name HA#) 1.8 0.0 4.2

assign (resid 325 and name HA) (resid 326 and name HN) 1.8 0.0 1.1

assign (resid 325 and name HD1#) (resid 335 and name HA#) 1.8 0.0 3.2
assign (resid 325 and name HD2#) (resid 335 and name HA#) 1.8 0.0 3.2









! C24

! intra

assign (resid 326 and name HN) (resid 326 and name HA) 1.8 0.0 1.1

assign (resid 326 and name HN) (resid 326 and name HB1) 1.8 0.0 3.2
assign (resid 326 and name HN) (resid 326 and name HB2) 1.8 0.0 3.2


! inter

assign (resid 326 and name HN) (resid 325 and name HA) 1.8 0.0 1.1

assign (resid 326 and name HN) (resid 325 and name HB#) 1.8 0.0 3.2

assign (resid 326 and name HN) (resid 325 and name HG) 1.8 0.0 3.2

assign (resid 326 and name HN) (resid 325 and (name HD2# or name HD1#)) 1.8 0.0 1.7

assign (resid 326 and name HN) (resid 325 and name HN) 1.8 0.0 3.2

assign (resid 326 and name HN) (resid 335 and name HA#) 1.8 0.0 1.7

!! assign (resid 326 and name HN) (resid 335 and name HN) 1.8 0.0 4.2

assign (resid 326 and name HA) (resid 317 and name HN) 1.8 0.0 4.2

assign (resid 326 and name HA) (resid 327 and name HG#) 1.8 0.0 4.2









! R25

! intra

assign (resid 327 and name HN) (resid 327 and name HA) 1.8 0.0 1.7

assign (resid 327 and name HN) (resid 327 and name HB#) 1.8 0.0 1.7

assign (resid 327 and name HN) (resid 327 and name HG1) 1.8 0.0 3.2
assign (resid 327 and name HN) (resid 327 and name HG2) 1.8 0.0 3.2

assign (resid 327 and name HD#) (resid 327 and name HB#) 1.8 0.0 1.7


! inter

assign (resid 327 and name HN) (resid 326 and name HA) 1.8 0.0 1.7

assign (resid 327 and name HN) (resid 326 and name HB1) 1.8 0.0 3.2
assign (resid 327 and name HN) (resid 326 and name HB2) 1.8 0.0 3.2

assign (resid 327 and name HN) (resid 328 and (name HG1# or name HG2#)) 1.8 0.0 3.2

assign (resid 327 and name HN) (resid 329 and name HN) 1.8 0.0 3.2

assign (resid 327 and name HN) (resid 335 and name HA#) 1.8 0.0 3.2

!!! assign (resid 327 and name HB#) (resid 333 and name HA) 1.8 0.0 3.2

!!! assign (resid 327 and name HB#) (resid 333 and name HN) 1.8 0.0 3.2









! V26

! intra

assign (resid 328 and name HN) (resid 328 and name HA) 1.8 0.0 1.1

assign (resid 328 and name HN) (resid 328 and name HB) 1.8 0.0 1.7

assign (resid 328 and name HN) (resid 328 and name HG1#) 1.8 0.0 3.2
assign (resid 328 and name HN) (resid 328 and name HG2#) 1.8 0.0 3.2

assign (resid 328 and name HA) (resid 328 and name HG1#) 1.8 0.0 1.7
assign (resid 328 and name HA) (resid 328 and name HG2#) 1.8 0.0 1.7



! inter

assign (resid 328 and name HN) (resid 327 and name HA) 1.8 0.0 1.7

assign (resid 328 and name HN) (resid 327 and name HB#) 1.8 0.0 1.7

assign (resid 328 and name HN) (resid 327 and name HD1) 1.8 0.0 1.7
assign (resid 328 and name HN) (resid 327 and name HD2) 1.8 0.0 1.7

assign (resid 328 and name HN) (resid 327 and name HG1) 1.8 0.0 3.2
assign (resid 328 and name HN) (resid 327 and name HG2) 1.8 0.0 3.2

assign (resid 328 and name HN) (resid 327 and name HN) 1.8 0.0 3.2

assign (resid 328 and name HN) (resid 329 and name HN) 1.8 0.0 1.1

assign (resid 328 and name HN) (resid 330 and name HN) 1.8 0.0 1.7

assign (resid 328 and name HN) (resid 326 and name HB#) 1.8 0.0 3.2

assign (resid 328 and name HA) (resid 328 and name HN) 1.8 0.0 1.7

assign (resid 328 and name HA) (resid 330 and name HN) 1.8 0.0 3.2

!! assign (resid 328 and name HB) (resid 327 and name HA) 1.8 0.0 4.2

!assign (resid 328 and (name HG2# or name HG1#)) (resid 8 and name HD#) 1.8 0.0 3.2

!assign (resid 328 and (name HG1# or name HG2#)) (resid 8 and name HE#) 1.8 0.0 3.2

!! assign (resid 328 and (name HG1# or name HG2#)) (resid 315 and name HN) 1.8 0.0 4.2

assign (resid 328 and (name HG1# or name HG2#)) (resid 317 and name HB#) 1.8 0.0 1.7







! C27

! intra

assign (resid 329 and name HN) (resid 329 and name HA) 1.8 0.0 1.1

assign (resid 329 and name HN) (resid 329 and name HB1) 1.8 0.0 1.7
assign (resid 329 and name HN) (resid 329 and name HB2) 1.8 0.0 1.7


! inter

assign (resid 329 and name HN) (resid 326 and name HB1) 1.8 0.0 3.2
assign (resid 329 and name HN) (resid 326 and name HB2) 1.8 0.0 3.2

assign (resid 329 and name HN) (resid 328 and name HA) 1.8 0.0 1.7

assign (resid 329 and name HN) (resid 328 and name HB) 1.8 0.0 1.7

assign (resid 329 and name HN) (resid 328 and name HG1#) 1.8 0.0 1.7
assign (resid 329 and name HN) (resid 328 and name HG2#) 1.8 0.0 1.7

! assign (resid 329 and name HN) (resid 328 and name HN) 1.8 0.0 1.7  ! repeated

assign (resid 329 and name HN) (resid 330 and name HN) 1.8 0.0 1.1

assign (resid 329 and name HN) (resid 330 and name HB#) 1.8 0.0 3.2

!! assign (resid 329 and name HN) (resid 350 and name HA) 1.8 0.0 3.2  ! check







! A28

! intra

assign (resid 330 and name HN) (resid 330 and name HA) 1.8 0.0 1.1

assign (resid 330 and name HN) (resid 330 and name HB#) 1.8 0.0 1.1


! inter

assign (resid 330 and name HN) (resid 326 and name HB1) 1.8 0.0 3.2
assign (resid 330 and name HN) (resid 326 and name HB2) 1.8 0.0 3.2

assign (resid 330 and name HN) (resid 328 and name HA) 1.8 0.0 3.2

!! assign (resid 330 and name HN) (resid 328 and name HB) 1.8 0.0 3.2  ! check

assign (resid 330 and name HN) (resid 328 and name HN) 1.8 0.0 1.7

assign (resid 330 and name HN) (resid 329 and name HN) 1.8 0.0 1.1

assign (resid 330 and name HN) (resid 329 and name HA) 1.8 0.0 1.7

assign (resid 330 and name HN) (resid 329 and name HB1) 1.8 0.0 3.2
assign (resid 330 and name HN) (resid 329 and name HB2) 1.8 0.0 3.2

assign (resid 330 and name HN) (resid 335 and name HA#) 1.8 0.0 3.2


assign (resid 330 and name HB#) (resid 326 and name HB#) 1.8 0.0 3.2

assign (resid 330 and name HB#) (resid 327 and name HA) 1.8 0.0 1.7

assign (resid 330 and name HB#) (resid 329 and name HB#) 1.8 0.0 3.2







! C29

! intra

assign (resid 331 and name HN) (resid 331 and name HA) 1.8 0.0 1.1

assign (resid 331 and name HN) (resid 331 and name HB1) 1.8 0.0 1.7
assign (resid 331 and name HN) (resid 331 and name HB2) 1.8 0.0 1.7


! inter

assign (resid 331 and name HN) (resid 330 and name HA) 1.8 0.0 1.1

assign (resid 331 and name HN) (resid 330 and name HB#) 1.8 0.0 1.1

assign (resid 331 and name HN) (resid 335 and name HA#) 1.8 0.0 3.2

assign (resid 331 and name HN) (resid 336 and name HA#) 1.8 0.0 3.2

assign (resid 331 and name HN) (resid 336 and name HN) 1.8 0.0 3.2

!! assign (resid 331 and name HN) (resid 337 and name HG#) 1.8 0.0 4.2








! H30

! intra

assign (resid 332 and name HN) (resid 332 and name HA) 1.8 0.0 1.1

assign (resid 332 and name HN) (resid 332 and name HB1) 1.8 0.0 1.7
assign (resid 332 and name HN) (resid 332 and name HB2) 1.8 0.0 1.7

assign (resid 332 and name HB1) (resid 332 and name HD#) 1.8 0.0 1.1
assign (resid 332 and name HB2) (resid 332 and name HD#) 1.8 0.0 1.1

! inter

!! assign (resid 332 and name HN) (resid 327 and name HG#) 1.8 0.0 4.2

!! assign (resid 332 and name HN) (resid 329 and name HN) 1.8 0.0 4.2  ! check

assign (resid 332 and name HN) (resid 331 and name HA) 1.8 0.0 1.7

assign (resid 332 and name HN) (resid 331 and name HB1) 1.8 0.0 3.2
assign (resid 332 and name HN) (resid 331 and name HB2) 1.8 0.0 3.2

assign (resid 332 and name HN) (resid 333 and name HN) 1.8 0.0 3.2

!! assign (resid 332 and name HN) (resid 335 and name HN) 1.8 0.0 3.2  ! check

!! assign (resid 332 and name HN) (resid 336 and name HN) 1.8 0.0 4.2  ! check

assign (resid 332 and name HN) (resid 352 and name HB#) 1.8 0.0 3.2

assign (resid 332 and name HA) (resid 333 and name HN) 1.8 0.0 3.2

assign (resid 332 and name HB#) (resid 331 and name HA) 1.8 0.0 3.2

assign (resid 332 and name HB1) (resid 333 and name HD1#) 1.8 0.0 4.2
assign (resid 332 and name HB2) (resid 333 and name HD1#) 1.8 0.0 4.2








! L31

! intra

assign (resid 333 and name HN) (resid 333 and name HA) 1.8 0.0 1.7

assign (resid 333 and name HN) (resid 333 and name HB1) 1.8 0.0 3.2
assign (resid 333 and name HN) (resid 333 and name HB2) 1.8 0.0 3.2

assign (resid 333 and name HN) (resid 333 and (name HD1# or name HD2#)) 1.8 0.0 3.2

assign (resid 333 and name HN) (resid 333 and name HG) 1.8 0.0 3.2

assign (resid 333 and name HB2) (resid 333 and name HD1#) 1.8 0.0 1.7
assign (resid 333 and name HB2) (resid 333 and name HD2#) 1.8 0.0 1.7

assign (resid 333 and name HD#) (resid 333 and name HA) 1.8 0.0 1.1

assign (resid 333 and name HG) (resid 333 and name HA) 1.8 0.0 1.7





! inter

assign (resid 333 and name HN) (resid 331 and name HB1) 1.8 0.0 4.2
assign (resid 333 and name HN) (resid 331 and name HB2) 1.8 0.0 4.2

assign (resid 333 and name HN) (resid 332 and name HB1) 1.8 0.0 3.2
assign (resid 333 and name HN) (resid 332 and name HB2) 1.8 0.0 3.2

assign (resid 333 and name HN) (resid 334 and name HA) 1.8 0.0 3.2

assign (resid 333 and name HN) (resid 334 and name HB#) 1.8 0.0 3.2

assign (resid 333 and name HN) (resid 334 and name HN) 1.8 0.0 1.1

assign (resid 333 and name HN) (resid 335 and name HN) 1.8 0.0 1.7

assign (resid 333 and name HN) (resid 335 and name HA#) 1.8 0.0 3.2

assign (resid 333 and (name HD1# or name HD2#)) (resid 357 and name HB1) 1.8 0.0 3.2
assign (resid 333 and (name HD1# or name HD2#)) (resid 357 and name HB2) 1.8 0.0 4.2

assign (resid 333 and (name HD1# or name HD2#)) (resid 358 and name HA) 1.8 0.0 3.2

!!! assign (resid 333 and name HG) (resid 353 and name HE#) 1.8 0.0 3.2  ! violated



! C32

! intra

assign (resid 334 and name HN) (resid 334 and name HA) 1.8 0.0 1.1

assign (resid 334 and name HN) (resid 334 and name HB1) 1.8 0.0 3.2
assign (resid 334 and name HN) (resid 334 and name HB2) 1.8 0.0 3.2


! inter

assign (resid 334 and name HN) (resid 333 and name HA) 1.8 0.0 1.7

assign (resid 334 and name HN) (resid 333 and name HB#) 1.8 0.0 1.7

assign (resid 334 and name HN) (resid 333 and (name HD1# or name HD2#)) 1.8 0.0 3.2

assign (resid 334 and name HN) (resid 335 and name HA#) 1.8 0.0 3.2








! G33

! intra

assign (resid 335 and name HN) (resid 335 and name HA#) 1.8 0.0 1.1


! inter


assign (resid 335 and name HA#) (resid 326 and name HN) 1.8 0.0 1.7

assign (resid 335 and name HA#) (resid 327 and name HG1) 1.8 0.0 3.2
assign (resid 335 and name HA#) (resid 327 and name HG2) 1.8 0.0 3.2

assign (resid 335 and name HN) (resid 327 and name HB#) 1.8 0.0 3.2

assign (resid 335 and name HN) (resid 333 and name HA) 1.8 0.0 3.2

!! assign (resid 335 and name HA#) (resid 333 and name HB#) 1.8 0.0 4.2

assign (resid 335 and name HN) (resid 334 and name HA) 1.8 0.0 1.7

assign (resid 335 and name HN) (resid 334 and name HB#) 1.8 0.0 1.7

assign (resid 335 and name HN) (resid 334 and name HN) 1.8 0.0 1.1

assign (resid 335 and name HN) (resid 336 and name HA#) 1.8 0.0 3.2

!! assign (resid 335 and name HN) (resid 338 and name HN) 1.8 0.0 3.2  ! check

!! assign (resid 335 and name HA#) (resid 333 and name HA) 1.8 0.0 3.2 ! check

assign (resid 335 and name HA#) (resid 335 and name HN) 1.8 0.0 1.1

assign (resid 335 and name HN) (resid 335 and name HA#) 1.8 0.0 1.7






! G34

! intra

assign (resid 336 and name HN) (resid 336 and name HA#) 1.8 0.0 1.1



! inter

assign (resid 336 and name HN) (resid 325 and name HB#) 1.8 0.0 3.2

assign (resid 336 and name HN) (resid 325 and (name HD2# or name HD1#)) 1.8 0.0 3.2

!! assign (resid 336 and name HN) (resid 330 and name HN) 1.8 0.0 3.2  ! check

assign (resid 336 and name HN) (resid 330 and name HB#) 1.8 0.0 3.2


assign (resid 336 and name HN) (resid 334 and name HA) 1.8 0.0 3.2

assign (resid 336 and name HN) (resid 334 and name HB1) 1.8 0.0 3.2
assign (resid 336 and name HN) (resid 334 and name HB2) 1.8 0.0 3.2

assign (resid 336 and name HN) (resid 334 and name HN) 1.8 0.0 3.2


assign (resid 336 and name HN) (resid 335 and name HA#) 1.8 0.0 1.1

assign (resid 336 and name HN) (resid 335 and name HN) 1.8 0.0 1.1


assign (resid 336 and name HN) (resid 336 and name HA#) 1.8 0.0 1.7

assign (resid 336 and name HN) (resid 337 and name HN) 1.8 0.0 3.2

assign (resid 336 and name HN) (resid 338 and name HN) 1.8 0.0 3.2

!! assign (resid 336 and name HA#) (resid 325 and name HG) 1.8 0.0 4.2






! R35

! intra

assign (resid 337 and name HN) (resid 337 and name HA) 1.8 0.0 1.1

assign (resid 337 and name HN) (resid 337 and name HB#) 1.8 0.0 1.7

assign (resid 337 and name HN) (resid 337 and name HD#) 1.8 0.0 3.2

assign (resid 337 and name HN) (resid 337 and name HG1) 1.8 0.0 3.2
assign (resid 337 and name HN) (resid 337 and name HG2) 1.8 0.0 3.2

assign (resid 337 and name HA) (resid 337 and name HG1) 1.8 0.0 1.7
assign (resid 337 and name HA) (resid 337 and name HG2) 1.8 0.0 1.7

assign (resid 337 and name HB#) (resid 337 and name HD#) 1.8 0.0 1.1



! inter


!!! assign (resid 337 and name HA) (resid 325 and name HB#) 1.8 0.0 3.2 ! violated

assign (resid 337 and name HN) (resid 325 and (name HD2# or name HD1#)) 1.8 0.0 3.2

assign (resid 337 and name HN) (resid 336 and name HA#) 1.8 0.0 1.1

assign (resid 337 and name HN) (resid 338 and name HN) 1.8 0.0 1.1

assign (resid 337 and name HN) (resid 338 and name HB#) 1.8 0.0 3.2









! Q36

! intra

assign (resid 338 and name HN) (resid 338 and name HA) 1.8 0.0 1.1

assign (resid 338 and name HN) (resid 338 and name HB1) 1.8 0.0 3.2
assign (resid 338 and name HN) (resid 338 and name HB2) 1.8 0.0 3.2

assign (resid 338 and name HN) (resid 338 and name HG#) 1.8 0.0 3.2

assign (resid 338 and name HG1) (resid 338 and name HA) 1.8 0.0 3.2
assign (resid 338 and name HG2) (resid 338 and name HA) 1.8 0.0 3.2


! inter

assign (resid 338 and name HN) (resid 336 and name HA#) 1.8 0.0 1.7

assign (resid 338 and name HN) (resid 337 and name HB#) 1.8 0.0 3.2

assign (resid 338 and name HN) (resid 337 and name HG1) 1.8 0.0 3.2
assign (resid 338 and name HN) (resid 337 and name HG2) 1.8 0.0 3.2

assign (resid 338 and name HG#) (resid 356 and name HD#) 1.8 0.0 3.2








! D37

! intra

assign (resid 339 and name HN) (resid 339 and name HA) 1.8 0.0 1.1

assign (resid 339 and name HN) (resid 339 and name HB1) 1.8 0.0 1.7
assign (resid 339 and name HN) (resid 339 and name HB2) 1.8 0.0 1.7

! inter

assign (resid 339 and name HN) (resid 338 and name HA) 1.8 0.0 1.7

assign (resid 339 and name HN) (resid 338 and name HB1) 1.8 0.0 1.7
assign (resid 339 and name HN) (resid 338 and name HB2) 1.8 0.0 1.7

assign (resid 339 and name HN) (resid 338 and name HG#) 1.8 0.0 1.7

assign (resid 339 and name HN) (resid 340 and name HD1) 1.8 0.0 3.2
assign (resid 339 and name HN) (resid 340 and name HD2) 1.8 0.0 3.2

assign (resid 339 and name HN) (resid 342 and name HN) 1.8 0.0 3.2

assign (resid 339 and name HN) (resid 342 and name HN) 1.8 0.0 3.2

assign (resid 339 and name HB1) (resid 342 and name HB#) 1.8 0.0 1.7
assign (resid 339 and name HB2) (resid 342 and name HB#) 1.8 0.0 1.7

assign (resid 339 and name HB#) (resid 342 and name HN) 1.8 0.0 1.1






! P38

assign (resid 340 and name HA) (resid 340 and name HG#) 1.8 0.0 1.7








! D39

! intra

assign (resid 341 and name HN) (resid 341 and name HA) 1.8 0.0 1.1

assign (resid 341 and name HN) (resid 341 and name HB#) 1.8 0.0 1.1



! inter



assign (resid 341 and name HN) (resid 339 and name HB1) 1.8 0.0 1.1

assign (resid 341 and name HN) (resid 340 and name HA) 1.8 0.0 1.7

assign (resid 341 and name HN) (resid 340 and name HB1) 1.8 0.0 3.2
assign (resid 341 and name HN) (resid 340 and name HB2) 1.8 0.0 1.7

assign (resid 341 and name HN) (resid 340 and name HD1) 1.8 0.0 3.2
assign (resid 341 and name HN) (resid 340 and name HD2) 1.8 0.0 3.2

assign (resid 341 and name HN) (resid 340 and name HG#) 1.8 0.0 3.2

assign (resid 341 and name HN) (resid 342 and name HN) 1.8 0.0 1.7

assign (resid 341 and name HN) (resid 342 and name HB#) 1.8 0.0 3.2

assign (resid 341 and name HN) (resid 342 and name HG1) 1.8 0.0 3.2
assign (resid 341 and name HN) (resid 342 and name HG2) 1.8 0.0 3.2

assign (resid 341 and name HN) (resid 343 and name HN) 1.8 0.0 3.2








! K40

! intra

assign (resid 342 and name HN) (resid 342 and name HA) 1.8 0.0 1.1

assign (resid 342 and name HN) (resid 342 and name HB1) 1.8 0.0 1.7
assign (resid 342 and name HN) (resid 342 and name HB2) 1.8 0.0 1.7

assign (resid 342 and name HN) (resid 342 and name HE#) 1.8 0.0 3.2

assign (resid 342 and name HN) (resid 342 and name HG1) 1.8 0.0 1.7
assign (resid 342 and name HN) (resid 342 and name HG2) 1.8 0.0 1.7


assign (resid 342 and name HG1) (resid 342 and name HA) 1.8 0.0 3.2
assign (resid 342 and name HG2) (resid 342 and name HA) 1.8 0.0 3.2

assign (resid 342 and name HG1) (resid 342 and name HE#) 1.8 0.0 1.7
assign (resid 342 and name HG2) (resid 342 and name HE#) 1.8 0.0 1.7

! inter

assign (resid 342 and name HN) (resid 340 and name HA) 1.8 0.0 3.2

assign (resid 342 and name HN) (resid 341 and name HA) 1.8 0.0 1.7

assign (resid 342 and name HN) (resid 341 and name HB#) 1.8 0.0 1.1

assign (resid 342 and name HN) (resid 341 and name HN) 1.8 0.0 1.1

assign (resid 342 and name HN) (resid 343 and name HN) 1.8 0.0 1.1

assign (resid 342 and name HN) (resid 343 and name HA) 1.8 0.0 3.2

assign (resid 342 and name HN) (resid 343 and name HG#) 1.8 0.0 1.7

!!! assign (resid 342 and name HN) (resid 365 and (name HG2# or name HG1#)) 1.8 0.0 3.2  ! violated


!! assign (resid 342 and name HA) (resid 356 and name HD#) 1.8 0.0 4.2  ! check

!!! assign (resid 342 and name HB#) (resid 355 and name HG2#) 1.8 0.0 3.2  ! violated








! Q41

! intra

assign (resid 343 and name HN) (resid 343 and name HA) 1.8 0.0 1.1

assign (resid 343 and name HN) (resid 343 and name HB1) 1.8 0.0 1.7
assign (resid 343 and name HN) (resid 343 and name HB2) 1.8 0.0 1.7

assign (resid 343 and name HN) (resid 343 and name HG1) 1.8 0.0 3.2
assign (resid 343 and name HN) (resid 343 and name HG2) 1.8 0.0 3.2

! inter


!! assign (resid 343 and name HN) (resid 321 and name HB#) 1.8 0.0 3.2  ! check

assign (resid 343 and name HN) (resid 340 and name HA) 1.8 0.0 3.2

assign (resid 343 and name HN) (resid 341 and name HB#) 1.8 0.0 3.2

assign (resid 343 and name HN) (resid 342 and name HA) 1.8 0.0 1.7

assign (resid 343 and name HN) (resid 342 and name HB#) 1.8 0.0 3.2

assign (resid 343 and name HN) (resid 342 and name HN) 1.8 0.0 1.7

! assign (resid 343 and name HN) (resid 365 and (name HG2# or name HG1#)) 1.8 0.0 4.5


!assign (resid 343 and name HB1) (resid 352 and name HB#) 1.8 0.0 4.2  ! check
!assign (resid 343 and name HB2) (resid 352 and name HB#) 1.8 0.0 4.2

assign (resid 343 and name HG#) (resid 354 and name HA) 1.8 0.0 4.2







! L42

! intra

assign (resid 344 and name HN) (resid 344 and name HA) 1.8 0.0 1.1

assign (resid 344 and name HN) (resid 344 and name HG) 1.8 0.0 3.2

assign (resid 344 and name HN) (resid 344 and name HD1#) 1.8 0.0 3.2
assign (resid 344 and name HN) (resid 344 and name HD2#) 1.8 0.0 3.2

assign (resid 344 and name HA) (resid 344 and name HD1#) 1.8 0.0 3.2
assign (resid 344 and name HD2#) (resid 344 and name HA) 1.8 0.0 3.2

assign (resid 344 and name HB1) (resid 344 and name HD1#) 1.8 0.0 1.7
assign (resid 344 and name HB2) (resid 344 and name HD1#) 1.8 0.0 1.7
assign (resid 344 and name HB1) (resid 344 and name HD2#) 1.8 0.0 1.7
assign (resid 344 and name HB2) (resid 344 and name HD2#) 1.8 0.0 1.7

assign (resid 344 and name HG) (resid 344 and name HA) 1.8 0.0 3.2




! inter

assign (resid 344 and name HN) (resid 343 and name HA) 1.8 0.0 1.7

assign (resid 344 and name HN) (resid 343 and name HB1) 1.8 0.0 3.2
assign (resid 344 and name HN) (resid 343 and name HB2) 1.8 0.0 3.2

assign (resid 344 and name HN) (resid 343 and name HG#) 1.8 0.0 3.2

assign (resid 344 and name HN) (resid 343 and name HN) 1.8 0.0 3.2

assign (resid 344 and name HN) (resid 345 and name HG#) 1.8 0.0 3.2

!! assign (resid 344 and name HN) (resid 352 and name HA) 1.8 0.0 4.2

assign (resid 344 and name HN) (resid 353 and name HB#) 1.8 0.0 3.2

assign (resid 344 and name HA) (resid 345 and name HN) 1.8 0.0 1.1


!assign (resid 344 and name HB1) (resid 349 and name HN) 1.8 0.0 3.2 ! check
!assign (resid 344 and name HB2) (resid 349 and name HN) 1.8 0.0 3.2

!! assign (resid 344 and name HB1) (resid 353 and name HB#) 1.8 0.0 4.2
assign (resid 344 and name HB#) (resid 353 and name HB#) 1.8 0.0 3.2

!! assign (resid 344 and name HG) (resid 365 and name HN) 1.8 0.0 4.2

!! assign (resid 344 and name HD1#) (resid 354 and name HB#) 1.8 0.0 3.2 ! check
!! assign (resid 344 and name HD2#) (resid 354 and name HB#) 1.8 0.0 3.2

assign (resid 344 and name HD1#) (resid 355 and name HA) 1.8 0.0 4.2
assign (resid 344 and name HD2#) (resid 355 and name HA) 1.8 0.0 4.2

assign (resid 344 and (name HD1# or name HD2#)) (resid 355 and name HD1#) 1.8 0.0 3.2

assign (resid 344 and (name HD1# or name HD2#)) (resid 365 and name HN) 1.8 0.0 3.2

assign (resid 344 and name HD1#) (resid 366 and name HG#) 1.8 0.0 3.2
assign (resid 344 and name HD2#) (resid 366 and name HG#) 1.8 0.0 3.2







! M43

! intra

assign (resid 345 and name HN) (resid 345 and name HA) 1.8 0.0 1.7

assign (resid 345 and name HN) (resid 345 and name HB#) 1.8 0.0 1.7

assign (resid 345 and name HN) (resid 345 and name HG#) 1.8 0.0 1.7

assign (resid 345 and name HA) (resid 345 and name HG#) 1.8 0.0 1.7

assign (resid 345 and name HE#) (resid 345 and name HA) 1.8 0.0 3.2




! inter

assign (resid 345 and name HN) (resid 344 and name HA) 1.8 0.0 1.1

assign (resid 345 and name HN) (resid 344 and name HB1) 1.8 0.0 3.2
assign (resid 345 and name HN) (resid 344 and name HB2) 1.8 0.0 3.2

assign (resid 345 and name HN) (resid 344 and name HD1#) 1.8 0.0 3.2
assign (resid 345 and name HN) (resid 344 and name HD2#) 1.8 0.0 3.2

assign (resid 345 and name HN) (resid 344 and name HG) 1.8 0.0 3.2

assign (resid 345 and name HA) (resid 346 and name HN) 1.8 0.0 1.1

assign (resid 345 and name HA) (resid 353 and name HN) 1.8 0.0 3.2

!! assign (resid 345 and name HB#) (resid 329 and name HN) 1.8 0.0 3.2  ! check

assign (resid 345 and name HE#) (resid 347 and name HA) 1.8 0.0 3.2

!! assign (resid 345 and name HE#) (resid 349 and name HB#) 1.8 0.0 4.2 ! check

assign (resid 345 and name HE#) (resid 350 and name HA) 1.8 0.0 1.1

assign (resid 345 and name HE#) (resid 350 and name HB#) 1.8 0.0 3.2

! assign (resid 345 and name HE#) (resid 356 and name HB#) 1.8 0.0 1.1 ! check

assign (resid 345 and name HG#) (resid 352 and name HB#) 1.8 0.0 3.2








! C44

! intra

assign (resid 346 and name HN) (resid 346 and name HA) 1.8 0.0 1.1

assign (resid 346 and name HN) (resid 346 and name HB1) 1.8 0.0 1.7
assign (resid 346 and name HN) (resid 346 and name HB2) 1.8 0.0 1.7

! inter

assign (resid 346 and name HN) (resid 345 and name HN) 1.8 0.0 3.2

! assign (resid 346 and name HN) (resid 345 and name HA) 1.8 0.0 1.1  ! repeated

assign (resid 346 and name HN) (resid 345 and name HB#) 1.8 0.0 1.1

assign (resid 346 and name HN) (resid 345 and name HG#) 1.8 0.0 3.2

!! assign (resid 346 and name HN) (resid 348 and name HB#) 1.8 0.0 4.2  ! check

assign (resid 346 and name HN) (resid 350 and name HA) 1.8 0.0 1.7

assign (resid 346 and name HN) (resid 350 and name HN) 1.8 0.0 3.2

assign (resid 346 and name HN) (resid 351 and name HN) 1.8 0.0 1.7

assign (resid 346 and name HN) (resid 352 and name HA) 1.8 0.0 3.2

assign (resid 346 and name HN) (resid 352 and name HB#) 1.8 0.0 3.2

!! assign (resid 346 and name HB1) (resid 372 and name HB#) 1.8 0.0 4.2
!! assign (resid 346 and name HB2) (resid 372 and name HB#) 1.8 0.0 4.2

assign (resid 346 and name HN) (resid 350 and name HA) 1.8 0.0 1.7







! D45

! intra

assign (resid 347 and name HN) (resid 347 and name HA) 1.8 0.0 1.1

assign (resid 347 and name HN) (resid 347 and name HB1) 1.8 0.0 1.7
assign (resid 347 and name HN) (resid 347 and name HB2) 1.8 0.0 1.7


! inter

assign (resid 347 and name HN) (resid 346 and name HA) 1.8 0.0 1.7

assign (resid 347 and name HN) (resid 346 and name HB2) 1.8 0.0 3.2
assign (resid 347 and name HN) (resid 346 and name HB1) 1.8 0.0 3.2

assign (resid 347 and name HN) (resid 349 and name HN) 1.8 0.0 3.2

assign (resid 347 and name HN) (resid 350 and name HN) 1.8 0.0 3.2

assign (resid 347 and name HN) (resid 372 and name HA) 1.8 0.0 3.2

assign (resid 347 and name HN) (resid 372 and name HE#) 1.8 0.0 3.2

assign (resid 347 and name HN) (resid 372 and name HN) 1.8 0.0 4.2

!! assign (resid 347 and name HB#) (resid 346 and name HN) 1.8 0.0 4.2







! E46

! intra

assign (resid 348 and name HN) (resid 348 and name HA) 1.8 0.0 1.1

assign (resid 348 and name HN) (resid 348 and name HB1) 1.8 0.0 1.1
assign (resid 348 and name HN) (resid 348 and name HB2) 1.8 0.0 1.1

assign (resid 348 and name HG1) (resid 348 and name HA) 1.8 0.0 1.7
assign (resid 348 and name HG2) (resid 348 and name HA) 1.8 0.0 1.7


! inter

assign (resid 348 and name HN) (resid 346 and name HB1) 1.8 0.0 3.2
assign (resid 348 and name HN) (resid 346 and name HB2) 1.8 0.0 3.2

assign (resid 348 and name HN) (resid 347 and name HA) 1.8 0.0 1.7

assign (resid 348 and name HN) (resid 347 and name HN) 1.8 0.0 1.1

assign (resid 348 and name HN) (resid 349 and name HN) 1.8 0.0 1.7

assign (resid 348 and name HN) (resid 349 and name HB#) 1.8 0.0 3.2

assign (resid 348 and name HN) (resid 350 and name HN) 1.8 0.0 1.7

assign (resid 348 and name HN) (resid 372 and name HD#) 1.8 0.0 1.7
assign (resid 348 and name HN) (resid 372 and name HE#) 1.8 0.0 1.7


assign (resid 348 and name HN) (resid 372 and name HA) 1.8 0.0 3.2

assign (resid 348 and name HB1) (resid 349 and name HN) 1.8 0.0 1.1

assign (resid 348 and name HB1) (resid 372 and name HD#) 1.8 0.0 1.1
assign (resid 348 and name HB2) (resid 372 and name HD#) 1.8 0.0 1.1

assign (resid 348 and name HB1) (resid 372 and name HE#) 1.8 0.0 1.7
assign (resid 348 and name HB2) (resid 372 and name HE#) 1.8 0.0 1.7






! C47

! intra

assign (resid 349 and name HN) (resid 349 and name HA) 1.8 0.0 1.1

assign (resid 349 and name HN) (resid 349 and name HB1) 1.8 0.0 3.2
assign (resid 349 and name HN) (resid 349 and name HB2) 1.8 0.0 3.2


! inter

!!! assign (resid 349 and name HN) (resid 346 and name HB#) 1.8 0.0 1.1

assign (resid 349 and name HN) (resid 347 and name HA) 1.8 0.0 3.2

assign (resid 349 and name HN) (resid 348 and name HA) 1.8 0.0 1.7

assign (resid 349 and name HN) (resid 348 and name HB1) 1.8 0.0 1.7
assign (resid 349 and name HN) (resid 348 and name HB2) 1.8 0.0 3.2

assign (resid 349 and name HN) (resid 348 and name HG#) 1.8 0.0 3.2

! assign (resid 349 and name HN) (resid 348 and name HN) 1.8 0.0 1.7 ! repeated

assign (resid 349 and name HN) (resid 350 and name HN) 1.8 0.0 1.1







! D48

! intra

assign (resid 350 and name HN) (resid 350 and name HA) 1.8 0.0 1.1

assign (resid 350 and name HN) (resid 350 and name HB1) 1.8 0.0 3.2
assign (resid 350 and name HN) (resid 350 and name HB2) 1.8 0.0 3.2


! inter

!!! assign (resid 350 and name HN) (resid 346 and name HB1) 1.8 0.0 3.2
!!! assign (resid 350 and name HN) (resid 346 and name HB2) 1.8 0.0 3.2


assign (resid 350 and name HN) (resid 349 and name HA) 1.8 0.0 1.7

assign (resid 350 and name HN) (resid 349 and name HB1) 1.8 0.0 3.2
assign (resid 350 and name HN) (resid 349 and name HB2) 1.8 0.0 3.2

assign (resid 350 and name HN) (resid 349 and name HN) 1.8 0.0 1.7

!!! assign (resid 350 and name HA) (resid 351 and name HB#) 1.8 0.0 3.2

assign (resid 350 and name HA) (resid 347 and name HA) 1.8 0.0 3.2







! M49

! intra

assign (resid 351 and name HN) (resid 351 and name HB1) 1.8 0.0 1.7
assign (resid 351 and name HN) (resid 351 and name HB2) 1.8 0.0 1.7

assign (resid 351 and name HN) (resid 351 and name HG#) 1.8 0.0 3.2

assign (resid 351 and name HA) (resid 351 and name HN) 1.8 0.0 1.1

assign (resid 351 and name HG1) (resid 351 and name HA) 1.8 0.0 1.7
assign (resid 351 and name HG2) (resid 351 and name HA) 1.8 0.0 1.7

assign (resid 351 and name HE#) (resid 351 and name HA) 1.8 0.0 3.2

assign (resid 351 and name HE#) (resid 351 and name HB#) 1.8 0.0 1.1

assign (resid 351 and name HE#) (resid 351 and name HG#) 1.8 0.0 1.1



! inter

assign (resid 351 and name HN) (resid 346 and name HB#) 1.8 0.0 3.2

assign (resid 351 and name HN) (resid 349 and name HA) 1.8 0.0 3.2

assign (resid 351 and name HN) (resid 349 and name HB#) 1.8 0.0 3.2

assign (resid 351 and name HN) (resid 350 and name HA) 1.8 0.0 1.7

assign (resid 351 and name HN) (resid 350 and name HB#) 1.8 0.0 3.2

assign (resid 351 and name HN) (resid 350 and name HN) 1.8 0.0 1.7

assign (resid 351 and name HN) (resid 352 and name HA) 1.8 0.0 3.2


assign (resid 351 and name HE#) (resid 328 and name HA) 1.8 0.0 1.1

assign (resid 351 and name HE#) (resid 328 and name HG1#) 1.8 0.0 3.2
assign (resid 351 and name HE#) (resid 328 and name HG2#) 1.8 0.0 3.2

!! assign (resid 351 and name HE#) (resid 346 and name HB#) 1.8 0.0 4.2


assign (resid 351 and name HG#) (resid 328 and (name HG2# or name HG1#)) 1.8 0.0 3.2

!! assign (resid 351 and name HG#) (resid 353 and name HE#) 1.8 0.0 4.2









! A50

! intra

assign (resid 352 and name HN) (resid 352 and name HA) 1.8 0.0 1.1

assign (resid 352 and name HN) (resid 352 and name HB#) 1.8 0.0 1.1


! inter


assign (resid 352 and name HN) (resid 332 and name HB#) 1.8 0.0 3.2

assign (resid 352 and name HN) (resid 351 and name HA) 1.8 0.0 1.7

assign (resid 352 and name HN) (resid 351 and name HB1) 1.8 0.0 3.2
assign (resid 352 and name HN) (resid 351 and name HB2) 1.8 0.0 3.2

assign (resid 352 and name HN) (resid 351 and name HN) 1.8 0.0 3.2

assign (resid 352 and name HA) (resid 345 and name HA) 1.8 0.0 1.1

assign (resid 352 and name HA) (resid 352 and name HB#) 1.8 0.0 1.1

assign (resid 352 and name HA) (resid 353 and name HD#) 1.8 0.0 4.2

! assign (resid 352 and name HA) (resid 353 and name HN) 1.8 0.0 1.1  ! repeated

assign (resid 352 and name HB#) (resid 331 and name HB#) 1.8 0.0 3.2

!! assign (resid 352 and name HB#) (resid 350 and name HA) 1.8 0.0 4.2








! F51

! intra

assign (resid 353 and name HN) (resid 353 and name HA) 1.8 0.0 1.1

assign (resid 353 and name HN) (resid 353 and name HB#) 1.8 0.0 1.1

assign (resid 353 and name HN) (resid 353 and name HD#) 1.8 0.0 3.2

assign (resid 353 and name HA) (resid 353 and name HD#) 1.8 0.0 3.2

assign (resid 353 and name HB#) (resid 353 and name HD#) 1.8 0.0 1.7



! inter

!! assign (resid 353 and name HN) (resid 345 and name HB#) 1.8 0.0 3.2  ! check

!! assign (resid 353 and name HN) (resid 345 and name HG#) 1.8 0.0 3.2  ! check

assign (resid 353 and name HN) (resid 352 and name HA) 1.8 0.0 1.1

assign (resid 353 and name HN) (resid 352 and name HB#) 1.8 0.0 1.1

assign (resid 353 and name HA) (resid 354 and name HN) 1.8 0.0 1.1

! assign (resid 353 and name HB#) (resid 358 and (name HD2# or name HD1#)) 1.8 0.0 1.1 ! repeated








! H52


! intra

assign (resid 354 and name HN) (resid 354 and name HA) 1.8 0.0 1.1

assign (resid 354 and name HN) (resid 354 and name HB#) 1.8 0.0 1.1

assign (resid 354 and name HB#) (resid 354 and name HD2) 1.8 0.0 1.7



! inter

!assign (resid 354 and name HN) (resid 331 and name HB#) 1.8 0.0 4.2

assign (resid 354 and name HN) (resid 333 and name HB#) 1.8 0.0 4.2

assign (resid 354 and name HN) (resid 333 and (name HD1# or name HD2#)) 1.8 0.0 3.2

!! assign (resid 354 and name HN) (resid 334 and name HB#) 1.8 0.0 4.2

!! assign (resid 354 and name HN) (resid 343 and name HN) 1.8 0.0 3.2  ! check

assign (resid 354 and name HN) (resid 353 and name HA) 1.8 0.0 1.1

assign (resid 354 and name HN) (resid 353 and name HB#) 1.8 0.0 1.7

assign (resid 354 and name HN) (resid 353 and name HN) 1.8 0.0 3.2

assign (resid 354 and name HN) (resid 355 and name HG11) 1.8 0.0 3.2  ! check
assign (resid 354 and name HN) (resid 355 and name HG12) 1.8 0.0 4.2


assign (resid 354 and name HN) (resid 357 and name HN) 1.8 0.0 4.2

assign (resid 354 and name HN) (resid 357 and name HB#) 1.8 0.0 4.2

assign (resid 354 and name HN) (resid 358 and (name HD1# or name HD2#)) 1.8 0.0 3.2



assign (resid 354 and name HA) (resid 343 and name HA) 1.8 0.0 4.2

!! assign (resid 354 and name HA) (resid 352 and name HN) 1.8 0.0 4.2  ! check

assign (resid 354 and name HA) (resid 355 and name HG1#) 1.8 0.0 3.2

assign (resid 354 and name HB#) (resid 343 and name HG#) 1.8 0.0 4.2  ! 091214

assign (resid 354 and name HB#) (resid 355 and name HG1#) 1.8 0.0 3.2

assign (resid 354 and name HB#) (resid 356 and name HD#) 1.8 0.0 4.2









! I53

! intra

assign (resid 355 and name HN) (resid 355 and name HA) 1.8 0.0 1.1

assign (resid 355 and name HN) (resid 355 and name HB) 1.8 0.0 3.2

assign (resid 355 and name HN) (resid 355 and name HG11) 1.8 0.0 1.7
assign (resid 355 and name HN) (resid 355 and name HG12) 1.8 0.0 1.7

assign (resid 355 and name HN) (resid 355 and name HG2#) 1.8 0.0 1.7

assign (resid 355 and name HA) (resid 355 and name HG2#) 1.8 0.0 1.7

assign (resid 355 and name HA) (resid 355 and name HN) 1.8 0.0 1.1

assign (resid 355 and name HD1#) (resid 355 and name HA) 1.8 0.0 3.2

assign (resid 355 and name HD1#) (resid 355 and name HB) 1.8 0.0 1.1

assign (resid 355 and name HD1#) (resid 355 and name HN) 1.8 0.0 3.2

assign (resid 355 and name HG11) (resid 355 and name HA) 1.8 0.0 1.7
assign (resid 355 and name HG12) (resid 355 and name HA) 1.8 0.0 3.2


assign (resid 355 and name HG2#) (resid 355 and name HG11) 1.8 0.0 1.1
assign (resid 355 and name HG2#) (resid 355 and name HG12) 1.8 0.0 1.1



! inter

assign (resid 355 and name HN) (resid 354 and name HA) 1.8 0.0 1.7

assign (resid 355 and name HN) (resid 354 and name HB#) 1.8 0.0 3.2

! assign (resid 355 and name HA) (resid 352 and name HN) 1.8 0.0 1.1 ! check

assign (resid 355 and name HA) (resid 358 and name HB#) 1.8 0.0 3.2

assign (resid 355 and name HA) (resid 362
 and (name HD1# or name HD2#)) 1.8 0.0 3.2

assign (resid 355 and name HA) (resid 362 and name HG) 1.8 0.0 3.2

assign (resid 355 and name HD1#) (resid 342 and name HB1) 1.8 0.0 3.2
assign (resid 355 and name HD1#) (resid 342 and name HB2) 1.8 0.0 3.2

assign (resid 355 and name HD1#) (resid 342 and name HE#) 1.8 0.0 3.2

!! assign (resid 355 and name HD1#) (resid 352 and name HN) 1.8 0.0 1.1  ! check

assign (resid 355 and name HD1#) (resid 353 and name HD#) 1.8 0.0 3.2

! assign (resid 355 and name HD1#) (resid 361 and name HD#) 1.8 0.0 3.2

assign (resid 355 and name HD1#) (resid 364 and name HA) 1.8 0.0 4.2

!assign (resid 355 and name HG1#) (resid 354 and name HD2) 1.8 0.0 4.2  ! violated

!!! assign (resid 355 and name HG2#) (resid 342 and name HA) 1.8 0.0 3.2   ! violated

assign (resid 355 and name HG2#) (resid 344 and name HD1#) 1.8 0.0 3.2
assign (resid 355 and name HG2#) (resid 344 and name HD2#) 1.8 0.0 1.7

assign (resid 355 and name HG2#) (resid 354 and name HA) 1.8 0.0 3.2

assign (resid 355 and name HG2#) (resid 365 and name HN) 1.8 0.0 3.2






! Y54

! intra

assign (resid 356 and name HN) (resid 356 and name HA) 1.8 0.0 1.1

assign (resid 356 and name HN) (resid 356 and name HB1) 1.8 0.0 1.7
assign (resid 356 and name HN) (resid 356 and name HB2) 1.8 0.0 1.7

assign (resid 356 and name HB1) (resid 356 and name HD#) 1.8 0.0 1.1
assign (resid 356 and name HB2) (resid 356 and name HD#) 1.8 0.0 1.1



! inter

assign (resid 356 and name HN) (resid 355 and name HA) 1.8 0.0 3.2

assign (resid 356 and name HN) (resid 355 and name HB) 1.8 0.0 3.2

assign (resid 356 and name HN) (resid 355 and name HG11) 1.8 0.0 1.7
assign (resid 356 and name HN) (resid 355 and name HG12) 1.8 0.0 3.2

assign (resid 356 and name HN) (resid 355 and name HG2#) 1.8 0.0 3.2

assign (resid 356 and name HN) (resid 355 and name HN) 1.8 0.0 1.7









! C55

! intra

assign (resid 357 and name HN) (resid 357 and name HA) 1.8 0.0 1.7

assign (resid 357 and name HN) (resid 357 and name HB1) 1.8 0.0 1.7
assign (resid 357 and name HN) (resid 357 and name HB2) 1.8 0.0 1.7


! inter

assign (resid 357 and name HN) (resid 356 and name HA) 1.8 0.0 1.7

assign (resid 357 and name HB#) (resid 356 and name HE#) 1.8 0.0 3.2

assign (resid 357 and name HB#) (resid 358 and name HB#) 1.8 0.0 4.2

assign (resid 357 and name HB#) (resid 358 and name HG) 1.8 0.0 3.2







! L56

! intra

assign (resid 358 and name HN) (resid 358 and name HA) 1.8 0.0 1.1

assign (resid 358 and name HN) (resid 358 and name HB1) 1.8 0.0 1.7
assign (resid 358 and name HN) (resid 358 and name HB2) 1.8 0.0 1.7

assign (resid 358 and name HN) (resid 358 and (name HD1# or name HD2#)) 1.8 0.0 1.7

assign (resid 358 and name HN) (resid 358 and name HG) 1.8 0.0 1.7

assign (resid 358 and name HA) (resid 358 and name HN) 1.8 0.0 1.1

assign (resid 358 and name HA) (resid 358 and name HD1#) 1.8 0.0 3.2
assign (resid 358 and name HD2#) (resid 358 and name HA) 1.8 0.0 3.2

assign (resid 358 and name HB#) (resid 358 and name HD#) 1.8 0.0 1.7


! inter

assign (resid 358 and name HN) (resid 333 and (name HD1# or name HD2#)) 1.8 0.0 4.2

assign (resid 358 and name HN) (resid 356 and name HA) 1.8 0.0 3.2

assign (resid 358 and name HN) (resid 357 and name HA) 1.8 0.0 1.7

assign (resid 358 and name HN) (resid 357 and name HB1) 1.8 0.0 3.2
assign (resid 358 and name HN) (resid 357 and name HB2) 1.8 0.0 3.2

assign (resid 358 and name HN) (resid 357 and name HN) 1.8 0.0 1.7

assign (resid 358 and name HA) (resid 333 and (name HD1# or name HD2#)) 1.8 0.0 3.2

assign (resid 358 and name HA) (resid 359 and name HN) 1.8 0.0 1.7

assign (resid 358 and name HB#) (resid 359 and name HN) 1.8 0.0 1.7

assign (resid 358 and name HD#) (resid 361 and name HA) 1.8 0.0 3.2

assign (resid 358 and name HD#) (resid 359 and name HA) 1.8 0.0 4.2

assign (resid 358 and name HG) (resid 355 and name HN) 1.8 0.0 3.2


!! assign (resid 358 and name HD#) (resid 331 and name HN) 1.8 0.0 3.2  ! check

!!! assign (resid 358 and name HD#) (resid 344 and name HD1#) 1.8 0.0 3.2
!!! assign (resid 358 and name HD#) (resid 344 and name HD#) 1.8 0.0 3.2

assign (resid 358 and name HD#) (resid 353 and name HB#) 1.8 0.0 4.2

assign (resid 358 and name HD#) (resid 355 and name HA) 1.8 0.0 1.1

!! assign (resid 358 and name HD#) (resid 356 and name HE#) 1.8 0.0 4.2

!!! assign (resid 358 and name HD#) (resid 371 and name HZ3) 1.8 0.0 3.2  
! check 091214noon

assign (resid 358 and name HD#) (resid 353 and name HD#) 1.8 0.0 3.2








! D57

! intra

assign (resid 359 and name HN) (resid 359 and name HA) 1.8 0.0 1.1

assign (resid 359 and name HN) (resid 359 and name HB1) 1.8 0.0 1.7
assign (resid 359 and name HN) (resid 359 and name HB2) 1.8 0.0 1.7

! inter

! assign (resid 359 and name HN) (resid 333 and (name HD1# or name HD2#)) 1.8 0.0 4.2

assign (resid 359 and name HN) (resid 358 and name HB1) 1.8 0.0 1.7
assign (resid 359 and name HN) (resid 358 and name HB2) 1.8 0.0 1.7

assign (resid 359 and name HN) (resid 358 and (name HD1# or name HD2#)) 1.8 0.0 3.2

assign (resid 359 and name HN) (resid 358 and name HG) 1.8 0.0 3.2

assign (resid 359 and name HN) (resid 358 and name HN) 1.8 0.0 3.2

!!! assign (resid 359 and name HN) (resid 360 and name HA) 1.8 0.0 3.2  ! violated

!!! assign (resid 359 and name HN) (resid 375 and name HG#) 1.8 0.0 3.2 ! violated





! P58

! intra


assign (resid 360 and name HA) (resid 360 and name HD#) 1.8 0.0 1.7

assign (resid 360 and name HB1) (resid 360 and name HD#) 1.8 0.0 1.7
assign (resid 360 and name HB2) (resid 360 and name HD#) 1.8 0.0 1.7

assign (resid 360 and name HG#) (resid 360 and name HA) 1.8 0.0 1.7


! inter

assign (resid 360 and name HA) (resid 359 and name HA) 1.8 0.0 3.2











! P59

! intra

assign (resid 361 and name HA) (resid 361 and name HB#) 1.8 0.0 1.1


! inter

assign (resid 361 and name HA) (resid 358 and (name HD2# or name HD1#)) 1.8 0.0 3.2

assign (resid 361 and name HA) (resid 358 and name HG) 1.8 0.0 3.2

assign (resid 361 and name HA) (resid 362 and name HN) 1.8 0.0 1.1









! L60

! intra

assign (resid 362 and name HN) (resid 362 and name HA) 1.8 0.0 1.1

assign (resid 362 and name HN) (resid 362 and name HB1) 1.8 0.0 3.2
assign (resid 362 and name HN) (resid 362 and name HB2) 1.8 0.0 1.7

assign (resid 362 and name HN) (resid 362 and name HD1#) 1.8 0.0 3.2
assign (resid 362 and name HN) (resid 362 and name HD2#) 1.8 0.0 3.2

assign (resid 362 and name HN) (resid 362 and name HG) 1.8 0.0 3.2


assign (resid 362 and name HB1) (resid 362 and (name HD2# or name HD1#)) 1.8 0.0 1.7

assign (resid 362 and name HD#) (resid 362 and name HA) 1.8 0.0 1.7

assign (resid 362 and name HD2#) (resid 362 and name HB2) 1.8 0.0 1.7  
assign (resid 362 and name HD2#) (resid 362 and name HB2) 1.8 0.0 1.7





! inter

assign (resid 362 and name HN) (resid 356 and name HN) 1.8 0.0 4.2

assign (resid 362 and name HN) (resid 358 and name HN) 1.8 0.0 3.2

assign (resid 362 and name HN) (resid 361 and name HA) 1.8 0.0 1.7

assign (resid 362 and name HN) (resid 361 and name HB1) 1.8 0.0 3.2
assign (resid 362 and name HN) (resid 361 and name HB2) 1.8 0.0 3.2

assign (resid 362 and name HN) (resid 361 and name HD#) 1.8 0.0 3.2


assign (resid 362 and name HB1) (resid 355 and name HB) 1.8 0.0 4.2
assign (resid 362 and name HB2) (resid 355 and name HB) 1.8 0.0 4.2

assign (resid 362 and name HB#) (resid 361 and name HA) 1.8 0.0 3.2

!!! assign (resid 362 and name HG) (resid 360 and name HD#) 1.8 0.0 3.2  ! violated

assign (resid 362 and name HD#) (resid 344 and name HD#) 1.8 0.0 3.2

! assign (resid 362 and name HD#) (resid 361 and name HD#) 1.8 0.0 4.2

assign (resid 362 and name HD1#) (resid 366 and name HD#) 1.8 0.0 1.7
assign (resid 362 and name HD2#) (resid 366 and name HD#) 1.8 0.0 1.7

assign (resid 362 and name HD#) (resid 365 and name HB#) 1.8 0.0 3.2




! S61

! intra

assign (resid 363 and name HN) (resid 363 and name HA) 1.8 0.0 1.7

assign (resid 363 and name HN) (resid 363 and name HB#) 1.8 0.0 1.7

assign (resid 363 and name HA) (resid 363 and name HB#) 1.8 0.0 1.1

! inter

assign (resid 363 and name HN) (resid 356 and name HA) 1.8 0.0 4.2

assign (resid 363 and name HN) (resid 362 and name HA) 1.8 0.0 1.7

assign (resid 363 and name HN) (resid 362 and name HD#) 1.8 0.0 3.2

assign (resid 363 and name HN) (resid 362 and name HB1) 1.8 0.0 3.2
assign (resid 363 and name HN) (resid 362 and name HB2) 1.8 0.0 3.2

assign (resid 363 and name HN) (resid 364 and name HN) 1.8 0.0 1.1












! S62

! intra

assign (resid 364 and name HN) (resid 364 and name HA) 1.8 0.0 1.1

assign (resid 364 and name HN) (resid 364 and name HB#) 1.8 0.0 1.1


! inter

assign (resid 364 and name HN) (resid 355 and name HB) 1.8 0.0 4.2

assign (resid 364 and name HN) (resid 355 and name HG2#) 1.8 0.0 4.2

assign (resid 364 and name HN) (resid 362 and name HB1) 1.8 0.0 3.2
assign (resid 364 and name HN) (resid 362 and name HB2) 1.8 0.0 3.2

assign (resid 364 and name HN) (resid 362 and (name HD1# or name HD2#)) 1.8 0.0 3.2

assign (resid 364 and name HN) (resid 363 and name HA) 1.8 0.0 1.7

assign (resid 364 and name HN) (resid 363 and name HB#) 1.8 0.0 3.2

assign (resid 364 and name HN) (resid 363 and name HN) 1.8 0.0 1.7


assign (resid 364 and name HA) (resid 355 and name HD1#) 1.8 0.0 4.2

assign (resid 364 and name HA) (resid 365 and (name HG1# or name HG2#)) 1.8 0.0 3.2







! V63

! intra

assign (resid 365 and name HN) (resid 365 and name HA) 1.8 0.0 1.1

assign (resid 365 and name HN) (resid 365 and name HB) 1.8 0.0 1.7

assign (resid 365 and name HN) (resid 365 and name HG2#) 1.8 0.0 1.7
assign (resid 365 and name HG1#) (resid 365 and name HN) 1.8 0.0 3.2

assign (resid 365 and name HG1#) (resid 365 and name HA) 1.8 0.0 1.1
assign (resid 365 and name HG2#) (resid 365 and name HA) 1.8 0.0 1.1



! inter

!! assign (resid 365 and name HN) (resid 344 and name HB#) 1.8 0.0 4.2  ! check

assign (resid 365 and name HN) (resid 364 and name HA) 1.8 0.0 1.7

assign (resid 365 and name HN) (resid 364 and name HB#) 1.8 0.0 1.7

assign (resid 365 and name HN) (resid 364 and name HN) 1.8 0.0 1.1

!! assign (resid 365 and name HN) (resid 368 and name HN) 1.8 0.0 3.2  ! check

assign (resid 365 and name HA) (resid 366 and name HD2) 1.8 0.0 1.7

assign (resid 365 and name HG2#) (resid 344 and name HD1#) 1.8 0.0 4.2
assign (resid 365 and name HG1#) (resid 344 and name HD1#) 1.8 0.0 3.2

assign (resid 365 and name HG#) (resid 344 and name HD2#) 1.8 0.0 3.2

assign (resid 365 and name HG1#) (resid 366 and name HD#) 1.8 0.0 3.2

assign (resid 365 and name HG1#) (resid 367 and name HA) 1.8 0.0 3.2

assign (resid 365 and name HG2#) (resid 364 and name HA) 1.8 0.0 3.2







! P64

! intra

assign (resid 366 and name HA) (resid 366 and name HG#) 1.8 0.0 1.7

! inter

!! assign (resid 366 and name HA) (resid 365 and name HN) 1.8 0.0 4.2

assign (resid 366 and name HD#) (resid 344 and name HD2#) 1.8 0.0 1.7

assign (resid 366 and name HD#) (resid 344 and name HD1#) 1.8 0.0 1.7
! assign (resid 366 and name HD2) (resid 344 and name HD2#) 1.8 0.0 1.1

assign (resid 366 and name HD1) (resid 365 and name HG#) 1.8 0.0 3.2
assign (resid 366 and name HD2) (resid 365 and name HG#) 1.8 0.0 3.2

assign (resid 366 and name HG#) (resid 344 and name HD1#) 1.8 0.0 3.2
assign (resid 366 and name HG#) (resid 344 and name HD2#) 1.8 0.0 3.2

!! assign (resid 366 and name HG#) (resid 371 and name HD1) 1.8 0.0 4.2







! S65

! intra

assign (resid 367 and name HN) (resid 367 and name HA) 1.8 0.0 1.1

assign (resid 367 and name HN) (resid 367 and name HB#) 1.8 0.0 1.7


! inter

assign (resid 367 and name HN) (resid 366 and name HA) 1.8 0.0 1.7

assign (resid 367 and name HN) (resid 366 and name HB1) 1.8 0.0 3.2
assign (resid 367 and name HN) (resid 366 and name HB2) 1.8 0.0 3.2

assign (resid 367 and name HN) (resid 367 and name HA) 1.8 0.0 1.7
assign (resid 367 and name HN) (resid 367 and name HB#) 1.8 0.0 1.7

assign (resid 367 and name HN) (resid 368 and name HN) 1.8 0.0 3.2

assign (resid 367 and name HA) (resid 368 and name HN) 1.8 0.0 1.7







! E66

! intra

assign (resid 368 and name HN) (resid 368 and name HA) 1.8 0.0 1.1

assign (resid 368 and name HN) (resid 368 and name HB#) 1.8 0.0 1.1

assign (resid 368 and name HN) (resid 368 and name HG1) 1.8 0.0 1.7
assign (resid 368 and name HN) (resid 368 and name HG2) 1.8 0.0 1.7

assign (resid 368 and name HA) (resid 368 and name HG1) 1.8 0.0 1.7
assign (resid 368 and name HA) (resid 368 and name HG2) 1.8 0.0 1.7




! inter


assign (resid 368 and name HN) (resid 367 and name HA) 1.8 0.0 1.7

assign (resid 368 and name HN) (resid 367 and name HB#) 1.8 0.0 1.7

assign (resid 368 and name HN) (resid 370 and name HN) 1.8 0.0 3.2


assign (resid 368 and name HA) (resid 368 and name HN) 1.8 0.0 1.1

assign (resid 368 and name HA) (resid 369 and name HN) 1.8 0.0 1.7

assign (resid 368 and name HB1) (resid 368 and name HA) 1.8 0.0 1.1
assign (resid 368 and name HB2) (resid 368 and name HA) 1.8 0.0 1.1







! D67

! intra

assign (resid 369 and name HN) (resid 369 and name HA) 1.8 0.0 1.1

assign (resid 369 and name HN) (resid 369 and name HB1) 1.8 0.0 1.7
assign (resid 369 and name HN) (resid 369 and name HB2) 1.8 0.0 3.2


! inter

! assign (resid 369 and name HN) (resid 368 and name HA) 1.8 0.0 1.1  ! repeated

assign (resid 369 and name HN) (resid 368 and name HB#) 1.8 0.0 3.2

assign (resid 369 and name HN) (resid 368 and name HG1) 1.8 0.0 3.2
assign (resid 369 and name HN) (resid 368 and name HG2) 1.8 0.0 3.2

assign (resid 369 and name HN) (resid 370 and name HB#) 1.8 0.0 3.2

assign (resid 369 and name HN) (resid 370 and name HN) 1.8 0.0 1.7

assign (resid 369 and name HA) (resid 367 and name HN) 1.8 0.0 4.2

assign (resid 369 and name HB#) (resid 368 and name HN) 1.8 0.0 3.2








! E68

! intra

assign (resid 370 and name HN) (resid 370 and name HA) 1.8 0.0 1.1

assign (resid 370 and name HN) (resid 370 and name HB#) 1.8 0.0 1.1

assign (resid 370 and name HN) (resid 370 and name HG#) 1.8 0.0 3.2

assign (resid 370 and name HA) (resid 370 and name HG#) 1.8 0.0 1.1



! inter


assign (resid 370 and name HN) (resid 369 and name HA) 1.8 0.0 1.7

assign (resid 370 and name HN) (resid 369 and name HB1) 1.8 0.0 1.7
assign (resid 370 and name HN) (resid 369 and name HB2) 1.8 0.0 3.2

! assign (resid 370 and name HA) (resid 371 and name HN) 1.8 0.0 1.1  ! repeated









! W69

! intra

assign (resid 371 and name HN) (resid 371 and name HA) 1.8 0.0 1.1

assign (resid 371 and name HN) (resid 371 and name HB#) 1.8 0.0 1.7

assign (resid 371 and name HA) (resid 371 and name HD1) 1.8 0.0 3.2

!! assign (resid 371 and name HE1) (resid 371 and name HA) 1.8 0.0 4.2

assign (resid 371 and name HB#) (resid 371 and name HD1) 1.8 0.0 1.7




! inter

assign (resid 371 and name HN) (resid 347 and name HB1) 1.8 0.0 3.2
assign (resid 371 and name HN) (resid 347 and name HB2) 1.8 0.0 3.2

!!! assign (resid 371 and name HN) (resid 368 and name HB#) 1.8 0.0 3.2 ! violated

assign (resid 371 and name HN) (resid 370 and name HA) 1.8 0.0 1.7

assign (resid 371 and name HN) (resid 370 and name HB#) 1.8 0.0 3.2 

assign (resid 371 and name HN) (resid 370 and name HG#) 1.8 0.0 1.7

assign (resid 371 and name HN) (resid 370 and name HN) 1.8 0.0 3.2

assign (resid 371 and name HN) (resid 372 and name HN) 1.8 0.0 3.2

assign (resid 371 and name HE1) (resid 346 and name HB1) 1.8 0.0 3.2
assign (resid 371 and name HE1) (resid 346 and name HB2) 1.8 0.0 3.2

!! assign (resid 371 and name HE1) (resid 370 and name HG#) 1.8 0.0 4.2

assign (resid 371 and name HE1) (resid 372 and name HA) 1.8 0.0 4.2

!! assign (resid 371 and name HE1) (resid 377 and name HB#) 1.8 0.0 4.2

assign (resid 371 and name HA) (resid 372 and name HD#) 1.8 0.0 3.2

assign (resid 371 and name HA) (resid 372 and name HN) 1.8 0.0 3.2








! Y70

! intra

assign (resid 372 and name HN) (resid 372 and name HA) 1.8 0.0 1.1

assign (resid 372 and name HN) (resid 372 and name HB1) 1.8 0.0 3.2
assign (resid 372 and name HN) (resid 372 and name HB2) 1.8 0.0 3.2

assign (resid 372 and name HB1) (resid 372 and name HD#) 1.8 0.0 1.1
assign (resid 372 and name HB2) (resid 372 and name HD#) 1.8 0.0 1.1


! inter


assign (resid 372 and name HN) (resid 371 and name HN) 1.8 0.0 3.2

assign (resid 372 and name HN) (resid 371 and name HA) 1.8 0.0 1.7

assign (resid 372 and name HN) (resid 371 and name HB#) 1.8 0.0 3.2

assign (resid 372 and name HN) (resid 371 and name HN) 1.8 0.0 3.2

assign (resid 372 and name HA) (resid 373 and name HN) 1.8 0.0 1.7

assign (resid 372 and name HB1) (resid 377 and name HB#) 1.8 0.0 3.2
assign (resid 372 and name HB2) (resid 377 and name HB#) 1.8 0.0 3.2







! C71

! intra

assign (resid 373 and name HN) (resid 373 and name HA) 1.8 0.0 1.7

assign (resid 373 and name HN) (resid 373 and name HB1) 1.8 0.0 1.7
assign (resid 373 and name HN) (resid 373 and name HB2) 1.8 0.0 1.7

! inter

assign (resid 373 and name HN) (resid 346 and name HA) 1.8 0.0 3.2

assign (resid 373 and name HN) (resid 346 and name HB1) 1.8 0.0 3.2
assign (resid 373 and name HN) (resid 346 and name HB2) 1.8 0.0 3.2

! assign (resid 373 and name HN) (resid 372 and name HA) 1.8 0.0 1.7  ! repeated

!! assign (resid 373 and name HN) (resid 372 and name HE#) 1.8 0.0 4.2

assign (resid 373 and name HN) (resid 372 and name HN) 1.8 0.0 3.2

!! assign (resid 373 and name HN) (resid 374 and name HA) 1.8 0.0 4.2

assign (resid 373 and name HN) (resid 374 and name HD#) 1.8 0.0 3.2

assign (resid 373 and name HN) (resid 376 and name HB#) 1.8 0.0 3.2

assign (resid 373 and name HN) (resid 376 and name HN) 1.8 0.0 3.2

assign (resid 373 and name HN) (resid 377 and name HN) 1.8 0.0 3.2

assign (resid 373 and name HA) (resid 374 and name HD#) 1.8 0.0 1.1

assign (resid 373 and name HB#) (resid 374 and name HD#) 1.8 0.0 1.1








! P72

! intra


assign (resid 374 and name HA) (resid 374 and name HD1) 1.8 0.0 3.2
assign (resid 374 and name HA) (resid 374 and name HD2) 1.8 0.0 3.2

assign (resid 374 and name HA) (resid 374 and name HG#) 1.8 0.0 1.7

assign (resid 374 and name HB#) (resid 374 and name HD#) 1.8 0.0 1.7



! inter


! assign (resid 374 and name HA) (resid 375 and name HN) 1.8 0.0 1.7  ! repeated

assign (resid 374 and name HA) (resid 376 and name HN) 1.8 0.0 3.2 

assign (resid 374 and name HA) (resid 377 and name HN) 1.8 0.0 3.2 

assign (resid 374 and name HA) (resid 377 and name HB1) 1.8 0.0 3.2 
assign (resid 374 and name HA) (resid 377 and name HB2) 1.8 0.0 3.2 

assign (resid 374 and name HA) (resid 378 and name HN) 1.8 0.0 3.2 





! E73

! intra

assign (resid 375 and name HN) (resid 375 and name HA) 1.8 0.0 1.1

assign (resid 375 and name HN) (resid 375 and name HB#) 1.8 0.0 1.7

assign (resid 375 and name HN) (resid 375 and name HG#) 1.8 0.0 3.2

assign (resid 375 and name HA) (resid 375 and name HG1) 1.8 0.0 1.7
assign (resid 375 and name HA) (resid 375 and name HG2) 1.8 0.0 1.7


! inter

assign (resid 375 and name HN) (resid 376 and name HA) 1.8 0.0 3.2

assign (resid 375 and name HN) (resid 374 and name HA) 1.8 0.0 1.7

assign (resid 375 and name HN) (resid 374 and name HB#) 1.8 0.0 3.2

assign (resid 375 and name HA) (resid 377 and name HN) 1.8 0.0 3.2

assign (resid 375 and name HA) (resid 378 and name HN) 1.8 0.0 3.2

assign (resid 375 and name HB#) (resid 376 and name HN) 1.8 0.0 1.7

assign (resid 375 and name HG1) (resid 376 and name HN) 1.8 0.0 3.2
assign (resid 375 and name HG2) (resid 376 and name HN) 1.8 0.0 3.2


assign (resid 375 and name HA) (resid 378 and name HN) 1.8 0.0 3.2




! C74


! intra

assign (resid 376 and name HN) (resid 376 and name HA) 1.8 0.0 1.1

assign (resid 376 and name HN) (resid 376 and name HB1) 1.8 0.0 1.7
assign (resid 376 and name HN) (resid 376 and name HB2) 1.8 0.0 1.7



! inter

assign (resid 376 and name HN) (resid 375 and name HA) 1.8 0.0 1.7

assign (resid 376 and name HA) (resid 378 and name HN) 1.8 0.0 3.2

assign (resid 376 and name HA) (resid 379 and name HN) 1.8 0.0 4.2






! R75

! intra

assign (resid 377 and name HN) (resid 377 and name HA) 1.8 0.0 1.1

assign (resid 377 and name HN) (resid 377 and name HB1) 1.8 0.0 1.7
assign (resid 377 and name HN) (resid 377 and name HB2) 1.8 0.0 1.7

assign (resid 377 and name HN) (resid 377 and name HD#) 1.8 0.0 3.2

assign (resid 377 and name HN) (resid 377 and name HG#) 1.8 0.0 3.2

assign (resid 377 and name HG#) (resid 377 and name HA) 1.8 0.0 1.1

assign (resid 377 and name HD#) (resid 377 and name HA) 1.8 0.0 1.1



! inter

assign (resid 377 and name HN) (resid 375 and name HB#) 1.8 0.0 4.2

assign (resid 377 and name HN) (resid 375 and name HG#) 1.8 0.0 3.2

assign (resid 377 and name HN) (resid 376 and name HA) 1.8 0.0 1.7

assign (resid 377 and name HN) (resid 376 and name HB1) 1.8 0.0 3.2
assign (resid 377 and name HN) (resid 376 and name HB2) 1.8 0.0 3.2


assign (resid 377 and name HA) (resid 372 and name HB1) 1.8 0.0 4.2
assign (resid 377 and name HA) (resid 372 and name HB2) 1.8 0.0 4.2

assign (resid 377 and name HD#) (resid 372 and name HE#) 1.8 0.0 3.2











! N76

! intra

assign (resid 378 and name HN) (resid 378 and name HA) 1.8 0.0 1.1

assign (resid 378 and name HN) (resid 378 and name HB1) 1.8 0.0 1.7
assign (resid 378 and name HN) (resid 378 and name HB2) 1.8 0.0 1.7


! inter


assign (resid 378 and name HN) (resid 372 and name HB#) 1.8 0.0 4.2

assign (resid 378 and name HN) (resid 375 and name HA) 1.8 0.0 3.2

assign (resid 378 and name HN) (resid 377 and name HA) 1.8 0.0 1.7

assign (resid 378 and name HN) (resid 377 and name HB1) 1.8 0.0 3.2
assign (resid 378 and name HN) (resid 377 and name HB2) 1.8 0.0 3.2

assign (resid 378 and name HN) (resid 377 and name HG#) 1.8 0.0 3.2

assign (resid 378 and name HN) (resid 377 and name HD#) 1.8 0.0 3.2













! D77

! intra

assign (resid 379 and name HN) (resid 378 and name HA) 1.8 0.0 1.1

! inter

assign (resid 379 and name HN) (resid 377 and name HB#) 1.8 0.0 3.2

assign (resid 379 and name HN) (resid 377 and name HD#) 1.8 0.0 3.2

assign (resid 379 and name HN) (resid 377 and name HG#) 1.8 0.0 3.2

assign (resid 379 and name HN) (resid 378 and name HB#) 1.8 0.0 3.2










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