NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
28056 |
2xbd   |
4241 | cing | 1-original | 5 | XPLOR/CNS | distance | NOE | simple |
! More NOEs from further searching through the 2D spectra added below 26mar98
!
assign (resid 263 and name hz )
(resid 326 and name hd1 ) 2.75 0.85 0.00 ! 9
assign (resid 263 and name hz )
(resid 325 and name ha ) 3.04 1.14 0.00 ! 8
assign (resid 263 and name he+ )
(resid 319 and name ha ) 4.08 2.18 0.00 ! 5
assign (resid 263 and name he+ )
(resid 325 and name ha ) 2.75 0.85 0.00 ! 9
assign (resid 263 and name he+ )
(resid 263 and name hb+ ) 4.97 3.07 0.00 ! 3
assign (resid 263 and name he+ )
(resid 319 and name he+ ) 4.51 2.61 0.00 ! 4
assign (resid 263 and name hd+ )
(resid 319 and name ha ) 4.51 2.61 0.00 ! 4
assign (resid 263 and name hd+ )
(resid 325 and name ha ) 4.97 3.07 0.00 ! 3
assign (resid 263 and name hd+ )
(resid 319 and name he+ ) 2.75 0.85 0.00 ! 9
assign (resid 291 and name hz2 )
(resid 264 and name hb1 ) 5.50 3.60 0.00 ! 1
assign (resid 291 and name he3 )
(resid 289 and name hb+ ) 3.04 1.14 0.00 ! 8
assign (resid 291 and name hd1 )
(resid 291 and name hb2 ) 2.75 0.85 0.00 ! 9
assign (resid 275 and name hz2 )
(resid 306 and name ha ) 5.50 3.60 0.00 ! 2
assign (resid 275 and name hh2 )
(resid 306 and name ha ) 4.97 3.07 0.00 ! 3
assign (resid 275 and name hh2 )
(resid 269 and name hg2+ ) 5.50 3.60 0.00 ! 2
assign (resid 275 and name he3 )
(resid 306 and name hd+ ) 5.50 3.60 0.00 ! 1
assign (resid 275 and name he3 )
(resid 277 and name hb ) 4.51 2.61 0.00 ! 4
assign (resid 275 and name he3 )
(resid 304 and name hb ) 5.50 3.60 0.00 ! 1
assign (resid 319 and name hn )
(resid 319 and name hg+ ) 3.35 1.45 0.00 ! 7
assign (resid 328 and name hb+ )
(resid 251 and name hb ) 4.08 2.18 0.00 ! 5
assign (resid 265 and name hg1+ )
(resid 325 and name hg2+ ) 2.75 0.85 0.00 ! 9
assign (resid 281 and name hd++ )
(resid 287 and name hg1+ ) 3.35 1.45 0.00 ! 7
!
! NOEs added after 26mar98 run on resolving some ambiguities (24 more)
!
assign (resid 320 and name hn )
(resid 319 and name hd+ ) 5.50 3.60 0.00 ! 2
assign (resid 320 and name hn )
(resid 319 and name hb1 ) 4.97 3.07 0.00 ! 3
assign (resid 267 and name hh )
(resid 326 and name hg+ ) 4.08 2.18 0.00 ! 5
assign (resid 258 and name hn )
(resid 258 and name hb+ ) 4.51 2.61 0.00 ! 4
assign (resid 259 and name he3 )
(resid 262 and name hg+ ) 3.35 1.45 0.00 ! 7
assign (resid 319 and name ha )
(resid 285 and name hg+ ) 4.08 2.18 0.00 ! 5
assign (resid 325 and name ha )
(resid 317 and name hg2+ ) 5.50 3.60 0.00 ! 2
assign (resid 311 and name hb1 )
(resid 269 and name hg2+ ) 5.50 3.60 0.00 ! 1
assign (resid 257 and name ha )
(resid 256 and name hb+ ) 5.50 3.60 0.00 ! 2
assign (resid 281 and name hb2 )
(resid 281 and name hn ) 2.75 0.85 0.00 ! 9
assign (resid 282 and name hn )
(resid 285 and name hb2 ) 3.70 1.80 0.00 ! 6
assign (resid 311 and name hn )
(resid 311 and name hb2 ) 3.04 1.14 0.00 ! 8
assign (resid 313 and name hn )
(resid 313 and name hb1 ) 5.50 3.60 0.00 ! 1
assign (resid 314 and name hn )
(resid 291 and name hd1 ) 5.50 3.60 0.00 ! 2
assign (resid 321 and name hn )
(resid 319 and name hb1 ) 4.51 2.61 0.00 ! 4
assign (resid 322 and name hn )
(resid 319 and name hb1 ) 4.51 2.61 0.00 ! 4
assign (resid 328 and name hn )
(resid 329 and name hg2+ ) 5.50 3.60 0.00 ! 1
assign (resid 263 and name he+ )
(resid 326 and name hd1 ) 3.35 1.45 0.00 ! 7
assign (resid 263 and name he+ )
(resid 319 and name hb1 ) 5.50 3.60 0.00 ! 2
assign (resid 263 and name hd+ )
(resid 255 and name hd+ ) 4.08 2.18 0.00 ! 5
assign (resid 259 and name hz3 )
(resid 262 and name hg+ ) 5.50 3.60 0.00 ! 2
assign (resid 319 and name hn )
(resid 319 and name hd+ ) 3.35 1.45 0.00 ! 7
assign (resid 306 and name hd+ )
(resid 305 and name hb ) 2.75 0.85 0.00 ! 9
assign (resid 326 and name hg+ )
(resid 317 and name hg2+ ) 4.08 2.18 0.00 ! 5
! New constraints found by NOE back-calculation analysis add below
!
assign (resid 277 and name hn )
(resid 305 and name ha ) 5.50 3.60 0.00 ! 1
assign (resid 305 and name ha )
(resid 304 and name hg1+ ) 4.97 3.07 0.00 ! 3
assign (resid 249 and name hn )
(resid 330 and name hb+ ) 5.50 3.60 0.00 ! 1
assign (resid 259 and name he3 )
(resid 258 and name ha ) 4.51 2.61 0.00 ! 4
assign (resid 262 and name hn )
(resid 262 and name hb1 ) 5.50 3.60 0.00 ! 1
assign (resid 262 and name hn )
(resid 262 and name hg+ ) 5.50 3.60 0.00 ! 1
assign (resid 263 and name hd+ )
(resid 325 and name hg2+ ) 5.50 3.60 0.00 ! 1
assign (resid 263 and name hz )
(resid 325 and name hg2+ ) 5.50 3.60 0.00 ! 1
assign (resid 264 and name hn )
(resid 258 and name ha ) 5.50 3.60 0.00 ! 2
assign (resid 265 and name hn )
(resid 291 and name hh2 ) 5.50 3.60 0.00 ! 2
assign (resid 267 and name hd+ )
(resid 265 and name hg2+ ) 5.50 3.60 0.00 ! 1
assign (resid 267 and name he+ )
(resid 326 and name hd2 ) 5.50 3.60 0.00 ! 1
assign (resid 268 and name hn )
(resid 267 and name hd+ ) 5.50 3.60 0.00 ! 2
assign (resid 269 and name hn )
(resid 251 and name hg1+ ) 5.50 3.60 0.00 ! 1
assign (resid 269 and name hn )
(resid 311 and name hb2 ) 5.50 3.60 0.00 ! 2
assign (resid 273 and name hn )
(resid 274 and name hb+ ) 5.50 3.60 0.00 ! 2
assign (resid 275 and name hz3 )
(resid 269 and name hg2+ ) 5.50 3.60 0.00 ! 1
assign (resid 275 and name hz3 )
(resid 276 and name ha ) 4.51 2.61 0.00 ! 4
assign (resid 275 and name hz3 )
(resid 304 and name hb ) 3.70 1.80 0.00 ! 6
assign (resid 275 and name hz3 )
(resid 306 and name hd+ ) 5.50 3.60 0.00 ! 1
assign (resid 275 and name hz2 )
(resid 306 and name hg1 ) 5.50 3.60 0.00 ! 1
assign (resid 275 and name hz2 )
(resid 313 and name hd+ ) 5.50 3.60 0.00 ! 1
assign (resid 275 and name hh2 )
(resid 277 and name hg++ ) 5.50 3.60 0.00 ! 2
assign (resid 277 and name hn )
(resid 304 and name hg1+ ) 5.50 3.60 0.00 ! 1
assign (resid 279 and name hn )
(resid 279 and name hd1+ ) 5.50 3.60 0.00 ! 2
assign (resid 282 and name hn )
(resid 326 and name hb+ ) 5.50 3.60 0.00 ! 1
assign (resid 285 and name hn )
(resid 281 and name hd++ ) 5.50 3.60 0.00 ! 2
assign (resid 289 and name hn )
(resid 287 and name ha ) 4.97 3.07 0.00 ! 3
assign (resid 291 and name hz3 )
(resid 315 and name ha ) 4.97 3.07 0.00 ! 3
assign (resid 291 and name hz3 )
(resid 316 and name hb ) 5.50 3.60 0.00 ! 1
assign (resid 294 and name hn )
(resid 294 and name hd2+ ) 5.50 3.60 0.00 ! 2
assign (resid 294 and name hn )
(resid 307 and name hb1 ) 5.50 3.60 0.00 ! 1
assign (resid 296 and name hn )
(resid 295 and name hb ) 5.50 3.60 0.00 ! 1
assign (resid 303 and name hn )
(resid 295 and name hg1+ ) 5.50 3.60 0.00 ! 1
assign (resid 311 and name hd2+ )
(resid 273 and name ha ) 5.50 3.60 0.00 ! 1
assign (resid 312 and name hn )
(resid 310 and name ha+ ) 5.50 3.60 0.00 ! 1
assign (resid 313 and name hd+ )
(resid 277 and name hg++ ) 5.50 3.60 0.00 ! 1
assign (resid 313 and name he+ )
(resid 279 and name hd1+ ) 5.50 3.60 0.00 ! 1
assign (resid 313 and name he+ )
(resid 315 and name hg++ ) 5.50 3.60 0.00 ! 1
assign (resid 263 and name hd+ )
(resid 319 and name hn ) 5.50 3.60 0.00 ! 1
assign (resid 320 and name hn )
(resid 261 and name ha ) 5.50 3.60 0.00 ! 1
assign (resid 320 and name hn )
(resid 318 and name hb1 ) 5.50 3.60 0.00 ! 1
assign (resid 269 and name hg2+ )
(resid 251 and name hg2+ ) 5.50 3.60 0.00 ! 1
assign (resid 255 and name hd+ )
(resid 325 and name hg2+ ) 4.97 3.07 0.00 ! 3
assign (resid 257 and name hb1 )
(resid 257 and name hg+ ) 3.35 1.45 0.00 ! 7
assign (resid 261 and name hb2 )
(resid 318 and name he+ ) 4.51 2.61 0.00 ! 4
assign (resid 262 and name ha )
(resid 319 and name hd+ ) 4.97 3.07 0.00 ! 3
assign (resid 262 and name hd+ )
(resid 262 and name hb1 ) 5.50 3.60 0.00 ! 2
assign (resid 264 and name ha )
(resid 265 and name hg2+ ) 5.50 3.60 0.00 ! 1
assign (resid 264 and name ha )
(resid 316 and name hg2+ ) 5.50 3.60 0.00 ! 1
assign (resid 266 and name ha )
(resid 265 and name hg1+ ) 5.50 3.60 0.00 ! 1
assign (resid 266 and name ha )
(resid 315 and name hg++ ) 5.50 3.60 0.00 ! 2
assign (resid 267 and name ha )
(resid 253 and name ha ) 5.50 3.60 0.00 ! 2
assign (resid 269 and name ha )
(resid 251 and name hg2+ ) 5.50 3.60 0.00 ! 1
assign (resid 269 and name ha )
(resid 330 and name hb+ ) 5.50 3.60 0.00 ! 1
assign (resid 270 and name ha )
(resid 269 and name hg1+ ) 5.50 3.60 0.00 ! 1
assign (resid 272 and name hb+ )
(resid 275 and name hb1 ) 5.50 3.60 0.00 ! 2
assign (resid 274 and name ha )
(resid 306 and name hg2 ) 5.50 3.60 0.00 ! 1
assign (resid 275 and name ha )
(resid 332 and name ha+ ) 5.50 3.60 0.00 ! 2
assign (resid 276 and name ha )
(resid 276 and name hg2+ ) 2.75 0.85 0.00 ! 9
assign (resid 277 and name ha )
(resid 276 and name hg2+ ) 5.50 3.60 0.00 ! 2
assign (resid 278 and name ha )
(resid 277 and name hg++ ) 5.50 3.60 0.00 ! 2
assign (resid 278 and name ha )
(resid 304 and name hg2+ ) 5.50 3.60 0.00 ! 2
assign (resid 279 and name ha )
(resid 280 and name hb+ ) 4.51 2.61 0.00 ! 4
assign (resid 280 and name ha )
(resid 281 and name hd++ ) 5.50 3.60 0.00 ! 1
assign (resid 282 and name hb+ )
(resid 324 and name hg2+ ) 4.97 3.07 0.00 ! 3
assign (resid 284 and name ha )
(resid 284 and name hb+ ) 4.08 2.18 0.00 ! 5
assign (resid 284 and name hb+ )
(resid 320 and name hb2 ) 5.50 3.60 0.00 ! 2
assign (resid 285 and name ha )
(resid 286 and name hg2+ ) 5.50 3.60 0.00 ! 1
assign (resid 285 and name hb2 )
(resid 285 and name hg+ ) 5.50 3.60 0.00 ! 2
assign (resid 287 and name hb )
(resid 287 and name hg1+ ) 4.51 2.61 0.00 ! 4
assign (resid 289 and name hb+ )
(resid 288 and name hg+ ) 5.50 3.60 0.00 ! 1
assign (resid 287 and name hb )
(resid 287 and name hd1+ ) 4.08 2.18 0.00 ! 5
assign (resid 288 and name ha )
(resid 287 and name hg2+ ) 5.50 3.60 0.00 ! 1
assign (resid 289 and name ha )
(resid 287 and name hg2+ ) 5.50 3.60 0.00 ! 1
assign (resid 290 and name ha )
(resid 289 and name hb+ ) 5.50 3.60 0.00 ! 2
assign (resid 290 and name ha )
(resid 315 and name hb ) 5.50 3.60 0.00 ! 1
assign (resid 290 and name hb+ )
(resid 293 and name hb+ ) 5.50 3.60 0.00 ! 1
assign (resid 290 and name hb+ )
(resid 295 and name hb ) 4.51 2.61 0.00 ! 4
assign (resid 295 and name ha )
(resid 295 and name hb ) 4.97 3.07 0.00 ! 3
assign (resid 295 and name hb )
(resid 304 and name hg2+ ) 5.50 3.60 0.00 ! 1
assign (resid 301 and name ha )
(resid 280 and name hb+ ) 4.97 3.07 0.00 ! 3
assign (resid 304 and name ha )
(resid 304 and name hb ) 5.50 3.60 0.00 ! 1
assign (resid 306 and name hb2 )
(resid 306 and name hg2 ) 4.08 2.18 0.00 ! 5
assign (resid 306 and name hd+ )
(resid 305 and name hg2+ ) 5.50 3.60 0.00 ! 2
assign (resid 309 and name hb+ )
(resid 292 and name hb+ ) 5.50 3.60 0.00 ! 2
assign (resid 311 and name ha )
(resid 269 and name hb ) 5.50 3.60 0.00 ! 2
assign (resid 311 and name hb1 )
(resid 269 and name hb ) 4.51 2.61 0.00 ! 4
assign (resid 314 and name ha2 )
(resid 315 and name hg++ ) 5.50 3.60 0.00 ! 1
assign (resid 315 and name hg++ )
(resid 279 and name hd2+ ) 5.50 3.60 0.00 ! 1
assign (resid 316 and name ha )
(resid 315 and name hg++ ) 5.50 3.60 0.00 ! 1
assign (resid 316 and name ha )
(resid 316 and name hb ) 5.50 3.60 0.00 ! 2
assign (resid 316 and name hb )
(resid 288 and name hb+ ) 4.97 3.07 0.00 ! 3
assign (resid 318 and name ha )
(resid 262 and name hb2 ) 4.51 2.61 0.00 ! 4
assign (resid 318 and name ha )
(resid 318 and name hg+ ) 5.50 3.60 0.00 ! 2
assign (resid 319 and name he+ )
(resid 319 and name hg+ ) 4.51 2.61 0.00 ! 4
assign (resid 322 and name hb+ )
(resid 285 and name hg+ ) 4.97 3.07 0.00 ! 3
assign (resid 325 and name ha )
(resid 325 and name hg2+ ) 2.50 0.60 0.00 ! 10
assign (resid 325 and name hg2+ )
(resid 265 and name hg1+ ) 2.75 0.85 0.00 ! 9
assign (resid 327 and name hb+ )
(resid 280 and name hb+ ) 3.35 1.45 0.00 ! 7
assign (resid 330 and name hb+ )
(resid 269 and name hg1+ ) 5.50 3.60 0.00 ! 1
assign (resid 285 and name hg+ )
(resid 317 and name hg2+ ) 5.50 3.60 0.00 ! 1
assign (resid 312 and name ha )
(resid 268 and name hb+ ) 5.50 3.60 0.00 ! 1
assign (resid 279 and name hd2+ )
(resid 281 and name hd++ ) 5.50 3.60 0.00 ! 1
assign (resid 302 and name ha )
(resid 302 and name hg+ ) 5.50 3.60 0.00 ! 1
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