NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
28059 |
2xbd   |
4241 | cing | 1-original | 8 | XPLOR/CNS | dihedral angle |
!
!MANUAL CONSTRAINT
assign (resid 248 and name C) (resid 249 and name N)
(resid 249 and name CA) (resid 249 and name C) 1.0 -120.0 60.0 2
!
! RESIDUE s 250 , J= 9.32487
!
assign (resid 249 and name C) (resid 250 and name N)
(resid 250 and name CA) (resid 250 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE v 251 , J= 9.85606
!
assign (resid 250 and name C) (resid 251 and name N)
(resid 251 and name CA) (resid 251 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE a 253 , J= 8.32704
!
assign (resid 252 and name C) (resid 253 and name N)
(resid 253 and name CA) (resid 253 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE r 255 , J= 5.98807
!
!residue 255 not included (averaging?)
!
! RESIDUE a 256 , J= 10.1132
!
assign (resid 255 and name C) (resid 256 and name N)
(resid 256 and name CA) (resid 256 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE e 258 , J= 8.24499
!
assign (resid 257 and name C) (resid 258 and name N)
(resid 258 and name CA) (resid 258 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE w 259 , J= 10.3911
!
assign (resid 258 and name C) (resid 259 and name N)
(resid 259 and name CA) (resid 259 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE d 261 , J= 9.19614
!
assign (resid 260 and name C) (resid 261 and name N)
(resid 261 and name CA) (resid 261 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE f 263 , J= 7.68504
!
assign (resid 262 and name C) (resid 263 and name N)
(resid 263 and name CA) (resid 263 and name C) 1.0 -120.0 60.0 2
!
! RESIDUE n 264 , J= 9.29819
!
assign (resid 263 and name C) (resid 264 and name N)
(resid 264 and name CA) (resid 264 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE t 266 , J= 10.5556
!
assign (resid 265 and name C) (resid 266 and name N)
(resid 266 and name CA) (resid 266 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE y 267 , J= 10.3098
!
assign (resid 266 and name C) (resid 267 and name N)
(resid 267 and name CA) (resid 267 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE s 268 , J= 10.5153
!
assign (resid 267 and name C) (resid 268 and name N)
(resid 268 and name CA) (resid 268 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE v 269 , J= 8.83689
!
assign (resid 268 and name C) (resid 269 and name N)
(resid 269 and name CA) (resid 269 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE s 270 , J= 9.90783
!
assign (resid 269 and name C) (resid 270 and name N)
(resid 270 and name CA) (resid 270 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE a 274 , J= 9.66204
!
assign (resid 273 and name C) (resid 274 and name N)
(resid 274 and name CA) (resid 274 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE w 275 , J= 8.29659
!
assign (resid 274 and name C) (resid 275 and name N)
(resid 275 and name CA) (resid 275 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE t 276 , J= 9.75026
!
assign (resid 275 and name C) (resid 276 and name N)
(resid 276 and name CA) (resid 276 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE v 277 , J= 9.95814
!
assign (resid 276 and name C) (resid 277 and name N)
(resid 277 and name CA) (resid 277 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE n 278 , J= 10.4758
!
assign (resid 277 and name C) (resid 278 and name N)
(resid 278 and name CA) (resid 278 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE l 279 , J= 10.3049
!
assign (resid 278 and name C) (resid 279 and name N)
(resid 279 and name CA) (resid 279 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE a 280 , J= 9.53692
!
assign (resid 279 and name C) (resid 280 and name N)
(resid 280 and name CA) (resid 280 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE l 281 , J= 7.46576
!
assign (resid 280 and name C) (resid 281 and name N)
(resid 281 and name CA) (resid 281 and name C) 1.0 -120.0 60.0 2
!
! RESIDUE n 282 , J= 9.40987
!
assign (resid 281 and name C) (resid 282 and name N)
(resid 282 and name CA) (resid 282 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE s 284 , J= 9.81298
!
assign (resid 283 and name C) (resid 284 and name N)
(resid 284 and name CA) (resid 284 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE q 285 , J= 3.1265
!
assign (resid 284 and name C) (resid 285 and name N)
(resid 285 and name CA) (resid 285 and name C) 1.0 -55.0 35.0 2
!
! RESIDUE t 286 , J= 8.95684
!
assign (resid 285 and name C) (resid 286 and name N)
(resid 286 and name CA) (resid 286 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE q 288 , J= 8.13875
!
assign (resid 287 and name C) (resid 288 and name N)
(resid 288 and name CA) (resid 288 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE a 289 , J= 7.08301
!
assign (resid 288 and name C) (resid 289 and name N)
(resid 289 and name CA) (resid 289 and name C) 1.0 -120.0 60.0 2
!
! RESIDUE s 290 , J= 8.01297
!
assign (resid 289 and name C) (resid 290 and name N)
(resid 290 and name CA) (resid 290 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE w 291 , J= 8.66724
!
assign (resid 290 and name C) (resid 291 and name N)
(resid 291 and name CA) (resid 291 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE n 292 , J= 7.20071
!
!POSITIVE PHI ANGLE!
assign (resid 291 and name C) (resid 292 and name N)
(resid 292 and name CA) (resid 292 and name C) 1.0 60.0 60.0 2
!
! RESIDUE n 294 , J= 9.64394
!
assign (resid 293 and name C) (resid 294 and name N)
(resid 294 and name CA) (resid 294 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE v 295 , J= 9.99516
!
assign (resid 294 and name C) (resid 295 and name N)
(resid 295 and name CA) (resid 295 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE s 298 , J= 8.86279
!
assign (resid 297 and name C) (resid 298 and name N)
(resid 298 and name CA) (resid 298 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE t 301 , J= 9.31959
!
assign (resid 300 and name C) (resid 301 and name N)
(resid 301 and name CA) (resid 301 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE r 302 , J= 9.37125
!
assign (resid 301 and name C) (resid 302 and name N)
(resid 302 and name CA) (resid 302 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE v 304 , J= 10.331
!
assign (resid 303 and name C) (resid 304 and name N)
(resid 304 and name CA) (resid 304 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE t 305 , J= 9.23342
!
assign (resid 304 and name C) (resid 305 and name N)
(resid 305 and name CA) (resid 305 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE n 307 , J= 10.2322
!
assign (resid 306 and name C) (resid 307 and name N)
(resid 307 and name CA) (resid 307 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE g 308 , MANUAL CONSTRAINT
!
assign (resid 307 and name C) (resid 308 and name N)
(resid 308 and name CA) (resid 308 and name C) 1.0 60.0 60.0 2
!
! RESIDUE s 309 , J= 9.18526
!
assign (resid 308 and name C) (resid 309 and name N)
(resid 309 and name CA) (resid 309 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE g 310 , MANUAL CONSTRAINT
!
assign (resid 309 and name C) (resid 310 and name N)
(resid 310 and name CA) (resid 310 and name C) 1.0 -180.0 120.0 2
!
! RESIDUE n 311 , J= 8.94041
!
assign (resid 310 and name C) (resid 311 and name N)
(resid 311 and name CA) (resid 311 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE t 312 , J= 10.3194
!
assign (resid 311 and name C) (resid 312 and name N)
(resid 312 and name CA) (resid 312 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE g 314 , MANUAL CONSTRAINT
!
assign (resid 313 and name C) (resid 314 and name N)
(resid 314 and name CA) (resid 314 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE v 315 , J= 9.20745
!
assign (resid 314 and name C) (resid 315 and name N)
(resid 315 and name CA) (resid 315 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE t 316 , J= 10.7782
!
assign (resid 315 and name C) (resid 316 and name N)
(resid 316 and name CA) (resid 316 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE v 317 , J= 9.71963
!
assign (resid 316 and name C) (resid 317 and name N)
(resid 317 and name CA) (resid 317 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE m 318 , J= 8.81615
!
assign (resid 317 and name C) (resid 318 and name N)
(resid 318 and name CA) (resid 318 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE k 319 , J= 3.97355
!
assign (resid 318 and name C) (resid 319 and name N)
(resid 319 and name CA) (resid 319 and name C) 1.0 -55.0 35.0 2
!
! RESIDUE n 320 , J= 6.71343
!
!POSITIVE PHI ANGLE!
assign (resid 319 and name C) (resid 320 and name N)
(resid 320 and name CA) (resid 320 and name C) 1.0 60.0 60.0 2
!
! RESIDUE g 321 , MANUAL CONSTRAINT
!
assign (resid 320 and name C) (resid 321 and name N)
(resid 321 and name CA) (resid 321 and name C) 1.0 60.0 60.0 2
!
! RESIDUE s 322 , J= 9.95454
!
assign (resid 321 and name C) (resid 322 and name N)
(resid 322 and name CA) (resid 322 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE s 323 , J= 6.91934
!
!residue 323 not included (averaging?)
!
! RESIDUE t 325 , J= 2.87215
!
assign (resid 324 and name C) (resid 325 and name N)
(resid 325 and name CA) (resid 325 and name C) 1.0 -55.0 35.0 2
!
! RESIDUE a 327 , J= 6.40207
!
!residue 327 not included (averaging?)
!
! RESIDUE a 328 , J= 9.47504
!
assign (resid 327 and name C) (resid 328 and name N)
(resid 328 and name CA) (resid 328 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE t 329 , J= 9.98202
!
assign (resid 328 and name C) (resid 329 and name N)
(resid 329 and name CA) (resid 329 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE c 330 , J= 9.14034
!
assign (resid 329 and name C) (resid 330 and name N)
(resid 330 and name CA) (resid 330 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE a 331 , J= 8.6369
!
assign (resid 330 and name C) (resid 331 and name N)
(resid 331 and name CA) (resid 331 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE s 333 , J= 8.69409
!
assign (resid 332 and name C) (resid 333 and name N)
(resid 333 and name CA) (resid 333 and name C) 1.0 -120.0 50.0 2
!
!Chi1s added manually below 05mar98
!
!VALINES
assign (resid 251 and name N) (resid 251 and name CA)
(resid 251 and name CB) (resid 251 and name CG1) 1.0 180.0 30.0 2 !VAL
assign (resid 265 and name N) (resid 265 and name CA)
(resid 265 and name CB) (resid 265 and name CG1) 1.0 180.0 30.0 2 !VAL
assign (resid 269 and name N) (resid 269 and name CA)
(resid 269 and name CB) (resid 269 and name CG1) 1.0 180.0 30.0 2 !VAL
assign (resid 277 and name N) (resid 277 and name CA)
(resid 277 and name CB) (resid 277 and name CG1) 1.0 180.0 30.0 2 !VAL
assign (resid 295 and name N) (resid 295 and name CA)
(resid 295 and name CB) (resid 295 and name CG1) 1.0 180.0 30.0 2 !VAL
assign (resid 304 and name N) (resid 304 and name CA)
(resid 304 and name CB) (resid 304 and name CG1) 1.0 180.0 30.0 2 !VAL
assign (resid 315 and name N) (resid 315 and name CA)
(resid 315 and name CB) (resid 315 and name CG1) 1.0 -60.0 30.0 2 !VAL
assign (resid 317 and name N) (resid 317 and name CA)
(resid 317 and name CB) (resid 317 and name CG1) 1.0 180.0 30.0 2 !VAL
!
!THREONINES
assign (resid 252 and name N) (resid 252 and name CA)
(resid 252 and name CB) (resid 252 and name OG1) 1.0 00.0 90.0 2 !THR
assign (resid 254 and name N) (resid 254 and name CA)
(resid 254 and name CB) (resid 254 and name OG1) 1.0 00.0 90.0 2 !THR
assign (resid 266 and name N) (resid 266 and name CA)
(resid 266 and name CB) (resid 266 and name OG1) 1.0 -60.0 30.0 2 !THR
assign (resid 276 and name N) (resid 276 and name CA)
(resid 276 and name CB) (resid 276 and name OG1) 1.0 -60.0 30.0 2 !THR
assign (resid 286 and name N) (resid 286 and name CA)
(resid 286 and name CB) (resid 286 and name OG1) 1.0 60.0 30.0 2 !THR
assign (resid 296 and name N) (resid 296 and name CA)
(resid 296 and name CB) (resid 296 and name OG1) 1.0 60.0 30.0 2 !THR
assign (resid 301 and name N) (resid 301 and name CA)
(resid 301 and name CB) (resid 301 and name OG1) 1.0 60.0 30.0 2 !THR
assign (resid 303 and name N) (resid 303 and name CA)
(resid 303 and name CB) (resid 303 and name OG1) 1.0 -60.0 30.0 2 !THR
assign (resid 305 and name N) (resid 305 and name CA)
(resid 305 and name CB) (resid 305 and name OG1) 1.0 60.0 30.0 2 !THR
assign (resid 312 and name N) (resid 312 and name CA)
(resid 312 and name CB) (resid 312 and name OG1) 1.0 -60.0 30.0 2 !THR
assign (resid 316 and name N) (resid 316 and name CA)
(resid 316 and name CB) (resid 316 and name OG1) 1.0 -60.0 30.0 2 !THR
assign (resid 324 and name N) (resid 324 and name CA)
(resid 324 and name CB) (resid 324 and name OG1) 1.0 -60.0 30.0 2 !THR
assign (resid 325 and name N) (resid 325 and name CA)
(resid 325 and name CB) (resid 325 and name OG1) 1.0 60.0 30.0 2 !THR
assign (resid 329 and name N) (resid 329 and name CA)
(resid 329 and name CB) (resid 329 and name OG1) 1.0 60.0 30.0 2 !THR
!
!ISOLEUCINE
assign (resid 287 and name N) (resid 287 and name CA)
(resid 287 and name CB) (resid 287 and name CG1) 1.0 -60.0 30.0 2 !ILE
!
!AMX
assign (resid 249 and name N) (resid 249 and name CA)
(resid 249 and name CB) (resid 249 and name SG) 1.0 60.0 30.0 2 !CYS
assign (resid 259 and name N) (resid 259 and name CA)
(resid 259 and name CB) (resid 259 and name CG) 1.0 -60.0 30.0 2 !TRP
assign (resid 260 and name N) (resid 260 and name CA)
(resid 260 and name CB) (resid 260 and name OG) 1.0 00.0 90.0 2 !SER
assign (resid 261 and name N) (resid 261 and name CA)
(resid 261 and name CB) (resid 261 and name CG) 1.0 60.0 30.0 2 !ASP
assign (resid 263 and name N) (resid 263 and name CA)
(resid 263 and name CB) (resid 263 and name CG) 1.0 60.0 30.0 2 !PHE
assign (resid 264 and name N) (resid 264 and name CA)
(resid 264 and name CB) (resid 264 and name CG) 1.0 -60.0 30.0 2 !ASN
assign (resid 267 and name N) (resid 267 and name CA)
(resid 267 and name CB) (resid 267 and name CG) 1.0 -60.0 30.0 2 !TYR
assign (resid 275 and name N) (resid 275 and name CA)
(resid 275 and name CB) (resid 275 and name CG) 1.0 60.0 30.0 2 !TRP
assign (resid 278 and name N) (resid 278 and name CA)
(resid 278 and name CB) (resid 278 and name CG) 1.0 -120.0 90.0 2 !ASN
assign (resid 284 and name N) (resid 284 and name CA)
(resid 284 and name CB) (resid 284 and name OG) 1.0 00.0 90.0 2 !SER
assign (resid 291 and name N) (resid 291 and name CA)
(resid 291 and name CB) (resid 291 and name CG) 1.0 60.0 30.0 2 !TRP
assign (resid 294 and name N) (resid 294 and name CA)
(resid 294 and name CB) (resid 294 and name CG) 1.0 -60.0 30.0 2 !ASN
assign (resid 307 and name N) (resid 307 and name CA)
(resid 307 and name CB) (resid 307 and name CG) 1.0 60.0 30.0 2 !ASN
assign (resid 311 and name N) (resid 311 and name CA)
(resid 311 and name CB) (resid 311 and name CG) 1.0 -60.0 30.0 2 !ASN
assign (resid 313 and name N) (resid 313 and name CA)
(resid 313 and name CB) (resid 313 and name CG) 1.0 60.0 30.0 2 !PHE
assign (resid 320 and name N) (resid 320 and name CA)
(resid 320 and name CB) (resid 320 and name CG) 1.0 -60.0 30.0 2 !ASN
!assign (resid 330 and name N) (resid 330 and name CA)
! (resid 330 and name CB) (resid 330 and name SG) 1.0 180.0 30.0 2 !CYS
!
!OTHERS
assign (resid 255 and name N) (resid 255 and name CA)
(resid 255 and name CB) (resid 255 and name CG) 1.0 -60.0 30.0 2 !ARG
assign (resid 257 and name N) (resid 257 and name CA)
(resid 257 and name CB) (resid 257 and name CG) 1.0 -60.0 30.0 2 !GLU
assign (resid 262 and name N) (resid 262 and name CA)
(resid 262 and name CB) (resid 262 and name CG) 1.0 60.0 30.0 2 !ARG
assign (resid 279 and name N) (resid 279 and name CA)
(resid 279 and name CB) (resid 279 and name CG) 1.0 -60.0 30.0 2 !LEU
assign (resid 281 and name N) (resid 281 and name CA)
(resid 281 and name CB) (resid 281 and name CG) 1.0 -60.0 30.0 2 !LEU
assign (resid 285 and name N) (resid 285 and name CA)
(resid 285 and name CB) (resid 285 and name CG) 1.0 -60.0 30.0 2 !GLN
assign (resid 288 and name N) (resid 288 and name CA)
(resid 288 and name CB) (resid 288 and name CG) 1.0 -120.0 90.0 2 !GLN
assign (resid 302 and name N) (resid 302 and name CA)
(resid 302 and name CB) (resid 302 and name CG) 1.0 -60.0 30.0 2 !ARG
assign (resid 318 and name N) (resid 318 and name CA)
(resid 318 and name CB) (resid 318 and name CG) 1.0 -60.0 30.0 2 !MET
assign (resid 319 and name N) (resid 319 and name CA)
(resid 319 and name CB) (resid 319 and name CG) 1.0 -60.0 30.0 2 !LYS
! Chi2s added manually below
!
assign (resid 279 and name ca) (resid 279 and name cb)
(resid 279 and name cg) (resid 279 and name cd1) 1.0 180.0 40.0 2
Contact the webmaster for help, if required. Saturday, May 18, 2024 5:41:01 AM GMT (wattos1)