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
14998 1xbd 4241 cing 1-original 4 XPLOR/CNS distance NOE ambi


! Appended after NOE back-calc analysis
! 205 cons in total
!
assign  (resid 320 and name   hn )
       ((resid 319 and name  hb2 ) or (resid 319 and name  hg+ ))    3.70 1.80 0.00   ! 6
 
assign ((resid 279 and name   hn ) or (resid 267 and name   hn ))
       ((resid 314 and name  ha2 ) or (resid 303 and name   ha ))    4.97 3.07 0.00   ! 3
 
assign  (resid 259 and name   hn )
       ((resid 258 and name  hb+ ) or (resid 258 and name  hg+ ))    4.51 2.61 0.00   ! 4
 
assign ((resid 268 and name   hn ) or (resid 285 and name   hn ))
       ((resid 253 and name   ha ) or (resid 284 and name   ha ))    3.70 1.80 0.00   ! 6
 
assign  (resid 267 and name   hh )
       ((resid 325 and name   ha ) or (resid 281 and name   ha ))    5.50 3.60 0.00   ! 2
 
assign  (resid 267 and name   hh )
       ((resid 253 and name  hb+ ) or (resid 279 and name  hb1 ))    4.08 2.18 0.00   ! 5
 
assign  (resid 258 and name   hn )
       ((resid 258 and name  hb+ ) or (resid 258 and name  hg+ ))    4.08 2.18 0.00   ! 5
 
assign  (resid 286 and name   hn )
       ((resid 318 and name  hb2 ) or (resid 318 and name  he+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 320 and name hd2+ )
       ((resid 318 and name  hb2 ) or (resid 318 and name  he+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 267 and name  he+ )
       ((resid 326 and name  hg+ ) or (resid 267 and name  hb1 ) or
        (resid 265 and name   hb ))                                  2.50 0.60 0.00   ! 10
 
assign  (resid 267 and name  he+ )
       ((resid 267 and name  hb2 ) or (resid 315 and name hg++ ))    2.50 0.60 0.00   ! 10
 
assign ((resid 313 and name   hz ) or (resid 267 and name  hd+ ))
        (resid 279 and name hd2+ )                                   3.35 1.45 0.00   ! 7
 
assign ((resid 326 and name  hd2 ) or (resid 333 and name  hb+ ))
       ((resid 325 and name   ha ) or (resid 281 and name   ha ) or
        (resid 248 and name  ha+ ))                                  3.35 1.45 0.00   ! 7
 
assign ((resid 279 and name   ha ) or (resid 267 and name   ha ))
       ((resid 251 and name hg1+ ) or (resid 277 and name hg++ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 318 and name   ha )
       ((resid 317 and name hg1+ ) or (resid 317 and name   hb ))    5.50 3.60 0.00   ! 2
 
assign ((resid 252 and name   ha ) or (resid 295 and name   ha ))
       ((resid 253 and name  hb+ ) or (resid 305 and name hg2+ ))    4.97 3.07 0.00   ! 3
 
assign ((resid 300 and name   ha ) or (resid 265 and name   ha ))
       ((resid 281 and name  hb1 ) or (resid 255 and name  hg+ ))    4.51 2.61 0.00   ! 4
 
assign ((resid 321 and name  ha1 ) or (resid 326 and name   ha ))
       ((resid 326 and name  hg+ ) or (resid 319 and name  hd+ ))    3.35 1.45 0.00   ! 7
 
assign ((resid 332 and name  ha+ ) or (resid 255 and name   ha ))
       ((resid 276 and name hg2+ ) or (resid 253 and name  hb+ ))    5.50 3.60 0.00   ! 2
 
assign ((resid 281 and name   ha ) or (resid 325 and name   ha ))
        (resid 281 and name hd++ )                                   2.50 0.60 0.00   ! 10
 
assign ((resid 281 and name   ha ) or (resid 300 and name  hb+ ))
       ((resid 281 and name   hg ) or (resid 281 and name  hb1 ))    2.75 0.85 0.00   ! 9
 
assign  (resid 281 and name  hb2 )
       ((resid 281 and name   ha ) or (resid 300 and name  hb+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 331 and name  hb+ )
       ((resid 332 and name  ha+ ) or (resid 276 and name   hb ))    3.35 1.45 0.00   ! 7
 
assign  (resid 326 and name  hd2 )
       ((resid 317 and name   hb ) or (resid 317 and name hg1+ ))    4.97 3.07 0.00   ! 3
 
assign ((resid 324 and name   hb ) or (resid 322 and name  hb+ ))
       ((resid 282 and name  hb+ ) or (resid 320 and name  hb2 ))    4.51 2.61 0.00   ! 4
 
assign ((resid 322 and name  hb+ ) or (resid 283 and name  ha+ ))
       ((resid 282 and name  hb+ ) or (resid 320 and name  hb2 ))    5.50 3.60 0.00   ! 2
 
assign ((resid 324 and name   hb ) or (resid 322 and name  hb+ ))
        (resid 282 and name  hb+ )                                   5.50 3.60 0.00   ! 2
 
assign  (resid 268 and name  hb+ )
       ((resid 312 and name hg2+ ) or (resid 252 and name hg2+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 259 and name  hb2 )
       ((resid 262 and name  hb2 ) or (resid 262 and name  hg+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 263 and name  hb+ )
       ((resid 258 and name  hb+ ) or (resid 258 and name  hg+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 304 and name hg2+ )
       ((resid 277 and name hg++ ) or (resid 295 and name hg2+ ))    3.04 1.14 0.00   ! 8
 
assign  (resid 277 and name hg++ )
       ((resid 279 and name hd2+ ) or (resid 269 and name hg1+ ))    2.50 0.60 0.00   ! 10
 
assign  (resid 265 and name hg1+ )
       ((resid 315 and name hg++ ) or (resid 267 and name  hb2 ))    3.70 1.80 0.00   ! 6
 
assign  (resid 262 and name   ha )
       ((resid 262 and name  hg+ ) or (resid 319 and name  hg+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 285 and name   hn )
       ((resid 281 and name   hg ) or (resid 281 and name  hb1 ))    5.50 3.60 0.00   ! 2
 
assign  (resid 282 and name   hn )
       ((resid 281 and name   hg ) or (resid 281 and name  hb1 ))    3.35 1.45 0.00   ! 7
 
assign  (resid 328 and name  hb+ )
       ((resid 251 and name hg1+ ) or (resid 277 and name hg++ ))    2.50 0.60 0.00   ! 10
 
assign  (resid 304 and name hg2+ )
       ((resid 279 and name  hb2 ) or (resid 279 and name   hg ))    3.04 1.14 0.00   ! 8
 
assign  (resid 277 and name hg++ )
       ((resid 279 and name  hb2 ) or (resid 279 and name   hg ))    3.70 1.80 0.00   ! 6
 
assign  (resid 279 and name hd1+ )
       ((resid 302 and name  hb2 ) or (resid 302 and name  hg+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 304 and name hg2+ )
       ((resid 302 and name  hb2 ) or (resid 302 and name  hg+ ))    5.50 3.60 0.00   ! 2
 
assign  (resid 295 and name hg1+ )
       ((resid 302 and name  hb2 ) or (resid 302 and name  hg+ ))    4.08 2.18 0.00   ! 5
 
assign  (resid 261 and name   hn )
       ((resid 261 and name  hb2 ) or (resid 319 and name  he+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 261 and name   hn )
       ((resid 262 and name  hb2 ) or (resid 319 and name  hd+ ))    5.50 3.60 0.00   ! 2
 
assign  (resid 262 and name   hn )
       ((resid 261 and name  hb2 ) or (resid 319 and name  he+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 263 and name   hn )
       ((resid 262 and name  hb2 ) or (resid 262 and name  hg+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 273 and name   hn )
       ((resid 273 and name  hb+ ) or (resid 272 and name  hb+ ))    2.50 0.60 0.00   ! 10
 
assign  (resid 274 and name   hn )
       ((resid 272 and name  hb+ ) or (resid 273 and name  hb+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 278 and name   hn )
       ((resid 331 and name   hn ) or (resid 279 and name   hn ))    5.50 3.60 0.00   ! 1
 
assign  (resid 279 and name   hn )
       ((resid 279 and name   ha ) or (resid 302 and name   ha ))    4.08 2.18 0.00   ! 5
 
assign  (resid 279 and name   hn )
       ((resid 279 and name  hb2 ) or (resid 279 and name   hg ))    3.35 1.45 0.00   ! 7
 
assign  (resid 281 and name   hn )
       ((resid 281 and name   hg ) or (resid 281 and name  hb1 ) or
        (resid 302 and name  hb2 ))                                  2.50 0.60 0.00   ! 10
 
assign  (resid 281 and name   hn )
       ((resid 301 and name hg2+ ) or (resid 302 and name  hg+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 282 and name   hn )
       ((resid 281 and name   hg ) or (resid 281 and name  hb1 ) or
        (resid 285 and name  hb1 ))                                  4.51 2.61 0.00   ! 4
 
assign  (resid 282 and name hd2+ )
       ((resid 323 and name   ha ) or (resid 326 and name   ha ))    3.04 1.14 0.00   ! 8
 
assign  (resid 285 and name   hn )
       ((resid 317 and name hg1+ ) or (resid 281 and name hd++ ))    5.50 3.60 0.00   ! 1
 
assign  (resid 285 and name he2+ )
       ((resid 285 and name   ha ) or (resid 326 and name  hd1 ))    4.97 3.07 0.00   ! 3
 
assign  (resid 285 and name he2+ )
       ((resid 282 and name  hb+ ) or (resid 320 and name  hb2 ))    4.97 3.07 0.00   ! 3
 
assign  (resid 288 and name   hn )
       ((resid 288 and name  hg+ ) or (resid 318 and name  hg+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 288 and name   hn )
       ((resid 287 and name   hb ) or (resid 288 and name  hb+ ))    3.04 1.14 0.00   ! 8
 
assign  (resid 296 and name   hn )
       ((resid 296 and name hg2+ ) or (resid 303 and name hg2+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 298 and name   hn )
       ((resid 297 and name  ha+ ) or (resid 298 and name  hb+ ))    2.50 0.60 0.00   ! 10
 
assign  (resid 299 and name   hn )
       ((resid 297 and name  ha+ ) or (resid 298 and name  hb+ ))    2.75 0.85 0.00   ! 9
 
assign  (resid 302 and name   he )
       ((resid 302 and name  hb2 ) or (resid 302 and name  hg+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 302 and name   he )
       ((resid 287 and name hg1+ ) or (resid 302 and name  hg+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 262 and name   he )
       ((resid 262 and name  hg+ ) or (resid 262 and name  hb2 ))    3.35 1.45 0.00   ! 7
 
assign  (resid 305 and name   hn )
       ((resid 305 and name   ha ) or (resid 295 and name   ha ))    4.97 3.07 0.00   ! 3
 
assign  (resid 305 and name   hn )
       ((resid 305 and name hg2+ ) or (resid 293 and name  hb+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 311 and name   hn )
       ((resid 311 and name  hb1 ) or (resid 292 and name  hb+ ))    4.08 2.18 0.00   ! 5
 
assign  (resid 312 and name   hn )
       ((resid 311 and name  hb2 ) or (resid 313 and name  hb1 ))    5.50 3.60 0.00   ! 1
 
assign  (resid 313 and name   hn )
       ((resid 313 and name   ha ) or (resid 268 and name   ha ))    3.70 1.80 0.00   ! 6
 
assign  (resid 318 and name   hn )
       ((resid 286 and name hg2+ ) or (resid 316 and name hg2+ ))    5.50 3.60 0.00   ! 2
 
assign  (resid 320 and name hd2+ )
       ((resid 320 and name   ha ) or (resid 284 and name  hb+ ))    5.50 3.60 0.00   ! 2
 
assign  (resid 321 and name   hn )
       ((resid 319 and name  hb2 ) or (resid 319 and name  hg+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 322 and name   hn )
       ((resid 320 and name   ha ) or (resid 319 and name   ha ))    5.50 3.60 0.00   ! 2
 
assign  (resid 322 and name   hn )
       ((resid 321 and name  ha2 ) or (resid 322 and name  hb+ ))    5.50 3.60 0.00   ! 2
 
assign  (resid 323 and name   hn )
       ((resid 323 and name  hb+ ) or (resid 322 and name  hb+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 325 and name   hn )
       ((resid 324 and name   hb ) or (resid 323 and name  hb+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 328 and name   hn )
       ((resid 279 and name   hg ) or (resid 329 and name hg2+ ))    5.50 3.60 0.00   ! 1
 
assign  (resid 263 and name   hz )
       ((resid 326 and name   ha ) or (resid 323 and name   ha ))    5.50 3.60 0.00   ! 2
 
assign  (resid 263 and name   hz )
       ((resid 326 and name  hd2 ) or (resid 322 and name  hb+ ))    4.08 2.18 0.00   ! 5
 
assign  (resid 263 and name   hz )
       ((resid 326 and name  hg+ ) or (resid 285 and name  hb1 ) or
        (resid 319 and name  hd+ ))                                  4.97 3.07 0.00   ! 3
 
assign  (resid 263 and name  he+ )
       ((resid 326 and name  hd2 ) or (resid 322 and name  hb+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 263 and name  he+ )
       ((resid 255 and name  hd+ ) or (resid 285 and name  hg+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 263 and name  he+ )
       ((resid 319 and name  hb+ ) or (resid 319 and name  hg+ ))    5.50 3.60 0.00   ! 2
 
assign  (resid 263 and name  he+ )
       ((resid 265 and name   hb ) or (resid 326 and name  hg+ ) or
        (resid 285 and name  hb1 ) or (resid 319 and name  hd+ ))    2.75 0.85 0.00   ! 9
 
assign  (resid 263 and name  he+ )
       ((resid 255 and name  hg+ ) or (resid 319 and name  hg+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 263 and name  hd+ )
       ((resid 319 and name  hd+ ) or (resid 265 and name   hb ))    2.50 0.60 0.00   ! 10
 
assign  (resid 263 and name  hd+ )
       ((resid 255 and name  hg+ ) or (resid 255 and name  hb2 ) or
        (resid 319 and name  hg+ ))                                  4.97 3.07 0.00   ! 3
 
assign ((resid 275 and name  hd1 ) or (resid 278 and name hd2+ ))
       ((resid 301 and name hg2+ ) or (resid 269 and name   hb ))    4.97 3.07 0.00   ! 3
 
assign  (resid 313 and name  hd+ )
       ((resid 313 and name   ha ) or (resid 268 and name   ha ))    5.50 3.60 0.00   ! 2
 
assign ((resid 291 and name  hh2 ) or (resid 259 and name  hz3 ))
        (resid 264 and name  hb1 )                                   4.97 3.07 0.00   ! 3
 
assign ((resid 291 and name  hh2 ) or (resid 259 and name  hz3 ))
        (resid 264 and name  hb2 )                                   4.97 3.07 0.00   ! 3
 
assign ((resid 291 and name  hh2 ) or (resid 259 and name  hz3 ))
        (resid 316 and name hg2+ )                                   4.51 2.61 0.00   ! 4
 
assign ((resid 275 and name  hh2 ) or (resid 278 and name hd2+ ))
       ((resid 301 and name hg2+ ) or (resid 269 and name   hb ))    5.50 3.60 0.00   ! 2
 
assign ((resid 319 and name   hn ) or (resid 322 and name   hn ))
        (resid 319 and name  hb1 )                                   4.08 2.18 0.00   ! 5
 
assign ((resid 319 and name   hn ) or (resid 322 and name   hn ))
       ((resid 319 and name  hb2 ) or (resid 319 and name  hg+ ))    3.70 1.80 0.00   ! 6
 
assign ((resid 317 and name   hb ) or (resid 317 and name hg1+ ))
       ((resid 285 and name  hb2 ) or (resid 326 and name  hg+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 281 and name hd++ )
       ((resid 285 and name  hb2 ) or (resid 326 and name  hg+ ))    2.75 0.85 0.00   ! 9
 
assign  (resid 281 and name   hg )
       ((resid 285 and name  hb2 ) or (resid 326 and name  hg+ ))    3.04 1.14 0.00   ! 8
 
assign  (resid 279 and name hd2+ )
       ((resid 302 and name  hb1 ) or (resid 326 and name  hg+ ))    5.50 3.60 0.00   ! 2
 
assign  (resid 281 and name hd++ )
       ((resid 302 and name  hg+ ) or (resid 302 and name  hb2 ))    3.70 1.80 0.00   ! 6
 
assign  (resid 281 and name hd++ )
       ((resid 279 and name  hb2 ) or (resid 287 and name hg1+ ))    3.70 1.80 0.00   ! 6

assign ((resid 259 and name  hz3 ) or (resid 291 and name  hh2 ))
        (resid 264 and name hd21 )                                   4.08 2.18 0.00   ! 5 

assign  (resid 285 and name he2+ )
       ((resid 322 and name hb+  ) or (resid 324 and name hb   ))    3.70 1.80 0.00   ! 6
!
! CONS added below after NOE back-calc analysis...
!
assign ((resid 253 and name   hn ) or (resid 318 and name   hn ))
       ((resid 253 and name   ha ) or (resid 318 and name   ha ))    3.35 1.45 0.00   ! 7
 
assign  (resid 255 and name   hn )
       ((resid 255 and name  hb2 ) or (resid 255 and name  hg+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 255 and name   he )
       ((resid 255 and name  hb2 ) or (resid 255 and name  hg+ ))    4.97 3.07 0.00   ! 3
 
assign ((resid 291 and name  hh2 ) or (resid 259 and name  hz3 ))
        (resid 264 and name   ha )                                   5.50 3.60 0.00   ! 1
 
assign  (resid 262 and name   hn )
       ((resid 262 and name  hb2 ) or (resid 262 and name  hg+ ))    3.70 1.80 0.00   ! 6
 
assign ((resid 263 and name   hn ) or (resid 279 and name   hn ))
       ((resid 262 and name  hg+ ) or (resid 302 and name  hg+ ))    5.50 3.60 0.00   ! 2
 
assign  (resid 263 and name  hd+ )
       ((resid 319 and name  hg+ ) or (resid 255 and name  hg+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 263 and name  hd+ )
       ((resid 326 and name   ha ) or (resid 323 and name   ha ))    4.51 2.61 0.00   ! 4
 
assign  (resid 263 and name  he+ )
       ((resid 317 and name   hb ) or (resid 317 and name hg1+ ))    4.97 3.07 0.00   ! 3
 
assign ((resid 282 and name hd2+ ) or (resid 263 and name  he+ ))
       ((resid 324 and name   ha ) or (resid 325 and name   hb ))    5.50 3.60 0.00   ! 1
 
assign ((resid 266 and name   hn ) or (resid 252 and name   hn ) or (resid 328 and name   hn ))
        (resid 267 and name  hd+ )                                   5.50 3.60 0.00   ! 2
 
assign ((resid 313 and name   hz ) or (resid 267 and name  hd+ ))
       ((resid 253 and name  hb+ ) or (resid 279 and name   hg ))    2.75 0.85 0.00   ! 9
 
assign ((resid 313 and name   hz ) or (resid 267 and name  hd+ ))
        (resid 279 and name hd1+ )                                   3.70 1.80 0.00   ! 6
 
assign  (resid 269 and name   hn )
       ((resid 268 and name  hb+ ) or (resid 311 and name  hb1 ))    4.08 2.18 0.00   ! 5
 
assign  (resid 275 and name  he3 )
       ((resid 276 and name hg2+ ) or (resid 305 and name hg2+ ))    5.50 3.60 0.00   ! 1
 
assign  (resid 275 and name  hh2 )
       ((resid 313 and name  hb1 ) or (resid 311 and name  hb2 ))    5.50 3.60 0.00   ! 1
 
assign ((resid 282 and name   hn ) or (resid 274 and name   hn ))
       ((resid 275 and name  hb1 ) or (resid 285 and name  hg+ ))    5.50 3.60 0.00   ! 1
 
assign  (resid 285 and name   hn )
       ((resid 283 and name  ha+ ) or (resid 322 and name  hb+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 285 and name he2+ )
       ((resid 263 and name  he+ ) or (resid 282 and name hd2+ ))    3.70 1.80 0.00   ! 6
 
assign  (resid 285 and name he2+ )
       ((resid 285 and name  hb1 ) or (resid 319 and name  hd+ ) or
        (resid 326 and name  hg+ ))                                  5.50 3.60 0.00   ! 1
 
assign  (resid 285 and name he2+ )
       ((resid 317 and name hg1+ ) or (resid 317 and name   hb ))    4.08 2.18 0.00   ! 5
 
assign  (resid 286 and name   hn )
       ((resid 317 and name hg1+ ) or (resid 317 and name   hb ))    4.51 2.61 0.00   ! 4
 
assign  (resid 289 and name   hn )
       ((resid 287 and name   hb ) or (resid 288 and name  hb+ ))    4.08 2.18 0.00   ! 5
 
assign  (resid 291 and name   hn )
       ((resid 291 and name  he3 ) or (resid 291 and name  hd1 ))    4.97 3.07 0.00   ! 3
 
assign  (resid 301 and name   hn )
       ((resid 301 and name   hb ) or (resid 299 and name  ha+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 303 and name   hn )
       ((resid 303 and name   ha ) or (resid 297 and name  ha+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 307 and name hd2+ )
       ((resid 308 and name  ha1 ) or (resid 292 and name   ha ))    5.50 3.60 0.00   ! 1
 
assign  (resid 316 and name   hn )
       ((resid 315 and name hg++ ) or (resid 287 and name hg2+ ))    3.04 1.14 0.00   ! 8
 
assign  (resid 317 and name   hn )
       ((resid 317 and name   hb ) or (resid 317 and name hg1+ ))    2.75 0.85 0.00   ! 9
 
assign  (resid 318 and name   hn )
       ((resid 317 and name   hb ) or (resid 317 and name hg1+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 319 and name   hn )
       ((resid 318 and name  hb2 ) or (resid 262 and name  hb1 ))    4.97 3.07 0.00   ! 3
 
assign  (resid 320 and name   hn )
       ((resid 320 and name   ha ) or (resid 319 and name   ha ))    2.50 0.60 0.00   ! 10
 
assign  (resid 324 and name   hn )
       ((resid 324 and name   hb ) or (resid 322 and name  hb+ ) or
        (resid 323 and name  hb+ ))                                  2.50 0.60 0.00   ! 10
 
assign ((resid 330 and name  hb+ ) or (resid 314 and name  ha1 ))
       ((resid 250 and name   ha ) or (resid 266 and name   ha ))    4.51 2.61 0.00   ! 4LOW
 
assign ((resid 251 and name   ha ) or (resid 304 and name   ha ))
       ((resid 269 and name hg1+ ) or (resid 279 and name hd2+ ))    5.50 3.60 0.00   ! 1
 
assign  (resid 269 and name hg2+ )
       ((resid 251 and name hg1+ ) or (resid 277 and name hg++ ))    2.50 0.60 0.00   ! 10
 
assign ((resid 255 and name   ha ) or (resid 254 and name   ha ))
       ((resid 255 and name  hb2 ) or (resid 255 and name  hg+ ))    4.08 2.18 0.00   ! 5
 
assign ((resid 255 and name  hd+ ) or (resid 264 and name  hb1 ))
       ((resid 255 and name  hb1 ) or (resid 257 and name  hg+ ))    4.97 3.07 0.00   ! 3
 
assign ((resid 257 and name   ha ) or (resid 323 and name  hb+ ))
       ((resid 257 and name  hb2 ) or (resid 319 and name  hd+ ))    4.08 2.18 0.00   ! 5
 
assign  (resid 261 and name   ha )
       ((resid 319 and name  hb2 ) or (resid 319 and name  hg+ ))    5.50 3.60 0.00   ! 2
 
assign  (resid 262 and name   ha )
       ((resid 262 and name  hb2 ) or (resid 262 and name  hg+ ))    3.04 1.14 0.00   ! 8
 
assign ((resid 262 and name  hb1 ) or (resid 326 and name  hb+ ))
       ((resid 280 and name  hb+ ) or (resid 262 and name  hg+ ))    4.51 2.61 0.00   ! 4
 
assign ((resid 262 and name  hd+ ) or (resid 302 and name  hd+ ))
       ((resid 262 and name  hg+ ) or (resid 302 and name  hg+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 263 and name   ha )
       ((resid 262 and name  hb2 ) or (resid 262 and name  hg+ ))    5.50 3.60 0.00   ! 1
 
assign  (resid 263 and name  hb+ )
       ((resid 258 and name  hb+ ) or (resid 258 and name  hg+ ))    5.50 3.60 0.00   ! 1
 
assign ((resid 265 and name   ha ) or (resid 300 and name   ha ))
       ((resid 256 and name  hb+ ) or (resid 302 and name  hg+ ))    5.50 3.60 0.00   ! 1
 
assign ((resid 265 and name   ha ) or (resid 300 and name   ha ))
       ((resid 281 and name  hb2 ) or (resid 265 and name   hb ))    4.97 3.07 0.00   ! 3
 
assign ((resid 279 and name   ha ) or (resid 267 and name   ha ))
        (resid 328 and name  hb+ )                                   4.51 2.61 0.00   ! 4
 
assign  (resid 269 and name hg2+ )
       ((resid 330 and name   ha ) or (resid 251 and name   ha ) or
        (resid 268 and name   ha ) or (resid 277 and name   ha ))    4.08 2.18 0.00   ! 5
 
assign ((resid 285 and name   ha ) or (resid 271 and name  ha1 ))
       ((resid 285 and name  hg+ ) or (resid 249 and name  hb2 ))    4.08 2.18 0.00   ! 5
 
assign ((resid 272 and name  hb+ ) or (resid 284 and name  hb+ ))
       ((resid 275 and name  hb1 ) or (resid 285 and name  hg+ ) or
        (resid 249 and name  hb2 ))                                  5.50 3.60 0.00   ! 2
 
assign ((resid 275 and name  hb2 ) or (resid 249 and name  hb1 ))
        (resid 269 and name hg2+ )                                   5.50 3.60 0.00   ! 1
 
assign ((resid 275 and name  hb2 ) or (resid 249 and name  hb1 ))
        (resid 269 and name hg1+ )                                   3.70 1.80 0.00   ! 6
 
assign  (resid 278 and name   ha )
       ((resid 279 and name  hb2 ) or (resid 279 and name   hg ))    5.50 3.60 0.00   ! 1
 
assign ((resid 281 and name   ha ) or (resid 325 and name   ha ))
        (resid 326 and name  hb+ )                                   3.70 1.80 0.00   ! 6
 
assign ((resid 287 and name   ha ) or (resid 284 and name   ha ))
       ((resid 284 and name  hb+ ) or (resid 317 and name   ha ))    4.08 2.18 0.00   ! 5
 
assign ((resid 326 and name  hd1 ) or (resid 285 and name   ha ))
        (resid 281 and name hd++ )                                   5.50 3.60 0.00   ! 1
 
assign ((resid 285 and name   ha ) or (resid 326 and name  hd1 ))
       ((resid 317 and name hg1+ ) or (resid 317 and name   hb ))    3.70 1.80 0.00   ! 6
 
assign  (resid 285 and name  hg+ )
       ((resid 317 and name hg1+ ) or (resid 317 and name   hb ))    3.35 1.45 0.00   ! 7
 
assign  (resid 287 and name   hb )
       ((resid 287 and name hg1+ ) or (resid 302 and name  hg+ ))    3.70 1.80 0.00   ! 6
 
assign ((resid 289 and name  hb+ ) or (resid 319 and name  hg+ ) or (resid 319 and name  hb2 ))
       ((resid 288 and name  hg+ ) or (resid 318 and name  hg+ ))    5.50 3.60 0.00   ! 1
 
assign ((resid 288 and name   ha ) or (resid 306 and name   ha ))
       ((resid 288 and name  hb+ ) or (resid 287 and name   hb ) or
        (resid 306 and name  hb2 ))                                  3.04 1.14 0.00   ! 8
 
assign ((resid 288 and name   ha ) or (resid 285 and name   ha ))
       ((resid 318 and name  hg+ ) or (resid 288 and name  hg+ ))    4.51 2.61 0.00   ! 4
 
assign ((resid 288 and name   ha ) or (resid 285 and name   ha ))
       ((resid 288 and name  hg+ ) or (resid 320 and name  hb2 ))    4.97 3.07 0.00   ! 3
 
assign  (resid 290 and name  hb+ )
       ((resid 315 and name hg++ ) or (resid 287 and name hg2+ ))    2.75 0.85 0.00   ! 9
 
assign ((resid 292 and name   ha ) or (resid 308 and name  ha1 ))
        (resid 309 and name  hb+ )                                   3.70 1.80 0.00   ! 6
 
assign ((resid 296 and name   ha ) or (resid 250 and name   ha ))
       ((resid 295 and name hg1+ ) or (resid 251 and name hg2+ ))    5.50 3.60 0.00   ! 1
 
assign ((resid 302 and name   ha ) or (resid 279 and name   ha ))
       ((resid 302 and name  hb2 ) or (resid 302 and name  hg+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 302 and name  hd+ )
       ((resid 302 and name  hg+ ) or (resid 287 and name hg1+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 304 and name   ha )
       ((resid 303 and name hg2+ ) or (resid 296 and name hg2+ ))    5.50 3.60 0.00   ! 1
 
assign  (resid 304 and name   hb )
       ((resid 277 and name hg++ ) or (resid 295 and name hg1+ ))    4.08 2.18 0.00   ! 5
 
assign ((resid 306 and name   ha ) or (resid 327 and name   ha ))
       ((resid 326 and name  hb+ ) or (resid 306 and name  hb1 ))    3.04 1.14 0.00   ! 8
 
assign ((resid 311 and name  hb1 ) or (resid 270 and name  hb+ ))
        (resid 269 and name hg1+ )                                   5.50 3.60 0.00   ! 1
 
assign ((resid 315 and name   hb ) or (resid 326 and name  hb+ ))
        (resid 279 and name hd2+ )                                   4.51 2.61 0.00   ! 4
 
assign ((resid 316 and name   hb ) or (resid 310 and name  ha+ ))
       ((resid 288 and name  hb+ ) or (resid 306 and name  hb2 ))    5.50 3.60 0.00   ! 2
 
assign  (resid 317 and name   ha )
       ((resid 317 and name   hb ) or (resid 317 and name hg1+ ))    2.50 0.60 0.00   ! 10
 
assign ((resid 317 and name   ha ) or (resid 320 and name   ha ))
       ((resid 318 and name  hb2 ) or (resid 262 and name  hb1 ))    5.50 3.60 0.00   ! 2
 
assign  (resid 318 and name   ha )
       ((resid 318 and name  hg+ ) or (resid 262 and name  hd+ ))    5.50 3.60 0.00   ! 2
 
assign ((resid 326 and name  hb+ ) or (resid 318 and name  hb2 ))
       ((resid 317 and name   hb ) or (resid 317 and name hg1+ ))    4.97 3.07 0.00   ! 3
 
assign ((resid 319 and name   ha ) or (resid 320 and name   ha ) or (resid 317 and name   ha ))
       ((resid 288 and name  hb+ ) or (resid 319 and name  hb1 ))    4.08 2.18 0.00   ! 5
 
assign ((resid 319 and name   ha ) or (resid 317 and name   ha ))
       ((resid 319 and name  hg+ ) or (resid 281 and name   hg ) or
        (resid 281 and name  hb1 ))                                  5.50 3.60 0.00   ! 2
 
assign ((resid 319 and name   ha ) or (resid 317 and name   ha ))
       ((resid 319 and name  hd+ ) or (resid 285 and name  hb1 ) or
        (resid 288 and name  hb+ ))                                  3.35 1.45 0.00   ! 7
 
assign  (resid 319 and name  he+ )
       ((resid 319 and name  hg+ ) or (resid 319 and name  hb2 ))    5.50 3.60 0.00   ! 1
 
assign ((resid 321 and name  ha1 ) or (resid 323 and name   ha ))
        (resid 319 and name  hb1 )                                   5.50 3.60 0.00   ! 1
 
assign ((resid 322 and name  hb+ ) or (resid 283 and name  ha+ ))
        (resid 282 and name  hb+ )                                   5.50 3.60 0.00   ! 1
 
assign ((resid 322 and name  hb+ ) or (resid 283 and name  ha+ ))
        (resid 285 and name  hg+ )                                   5.50 3.60 0.00   ! 1
 
assign ((resid 323 and name   ha ) or (resid 321 and name  ha1 ) or (resid 329 and name   ha ))
       ((resid 319 and name  he+ ) or (resid 320 and name  hb1 ) or
        (resid 330 and name  hb+ ))                                  5.50 3.60 0.00   ! 2LOW
 
assign ((resid 326 and name  hd2 ) or (resid 333 and name  hb+ ))
       ((resid 325 and name hg2+ ) or (resid 274 and name  hb+ ))    3.04 1.14 0.00   ! 8
 
assign ((resid 326 and name  hd2 ) or (resid 283 and name  ha+ ) or (resid 322 and name  hb+ ))
       ((resid 285 and name  hb2 ) or (resid 326 and name  hg+ ))    5.50 3.60 0.00   ! 2
 
assign ((resid 285 and name   ha ) or (resid 326 and name  hd1 ))
        (resid 317 and name hg2+ )                                   4.08 2.18 0.00   ! 5
 
assign  (resid 326 and name  hd1 )
       ((resid 325 and name   ha ) or (resid 281 and name   ha ))    2.75 0.85 0.00   ! 9
 
assign ((resid 326 and name  hd1 ) or (resid 285 and name   ha ))
       ((resid 326 and name  hg+ ) or (resid 285 and name  hb2 ))    4.08 2.18 0.00   ! 5
 
assign  (resid 328 and name   ha )
       ((resid 329 and name hg2+ ) or (resid 279 and name  hb2 ) or
        (resid 279 and name   hg ))                                  4.97 3.07 0.00   ! 3
 
assign  (resid 302 and name   hn )
       ((resid 302 and name  hb2 ) or (resid 302 and name  hg+ ))    3.35 1.45 0.00   ! 7

assign ((resid 292 and name  hb+ ) or (resid 323 and name  hb+ ) or
        (resid 250 and name  hb+ ))
       ((resid 319 and name  he+ ) or (resid 314 and name  ha1 ) or 
        (resid 330 and name  hb+ ))                                  5.50 3.60 0.00   ! 1LOW

assign ((resid 255 and name  hb1 ) or (resid 326 and name  hb+ ))
       ((resid 255 and name  hg+ ) or (resid 281 and name   hg ) or
        (resid 281 and name  hb1 ))                                  4.51 2.61 0.00   ! 4

assign ((resid 295 and name hg1+ ) or (resid 277 and name hg++ ))
        (resid 304 and name hg1+ )                                   4.97 3.07 0.00 !  3

assign ((resid 295 and name hg1+ ) or (resid 277 and name hg++ ))
        (resid 304 and name hg2+ )                                   3.04 1.14 0.00 !  8

assign ((resid 330 and name  hb+ ) or (resid 285 and name  hg+ ))
       ((resid 251 and name hg2+ ) or (resid 281 and name hd++ ))    4.51 2.61 0.00   ! 4HIGH

assign ((resid 286 and name   ha ) or (resid 326 and name   ha ))
        (resid 281 and name hd++ )                                   3.70 1.80 0.00 !  6


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