NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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640041 |
6ht4   |
30037 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: pepD2JFH1_final-160615.tbl !============================================================================ ! > RESTRAINTS FROM ns5aWT308_noe_iniSeq.txt ! > SEQUENCE ! GFPRALPAWARPDYNPPLVE ! ! > DISTANCE RESTRAINTS ! class | [lower limit, upper limits[ | distance restraint ! --------+-------------------------------+--------------------- ! weak | 1 , 3 | 5.0 ! medium | 4 , 5 | 3.9 ! strong | 6 , 9 | 2.8 ! ! > CORRECTION FACTOR FOR PSEUDO-ATOMS ! -CH2 = +1.0 A (ex.: HB# in F) ! -Haromatic = +2.0 A (ex.: HD* in Y) ! -CH3# = +1.0 A (ex.: HG2# in I) ! -CH3* = +2.4 A (ex.: HD* in L) !============================================================================ ! <========== G304 ==========> ! <========== F305 ==========> assign (resid 305 and name HN )(resid 306 and name HD1 ) 5.0 3.2 0.5 assign (resid 305 and name HA )(resid 306 and name HD1 ) 5.0 3.2 0.5 assign (resid 305 and name HA )(resid 306 and name HD2 ) 5.0 3.2 0.5 ! <========== P306 ==========> assign (resid 306 and name HA )(resid 307 and name HN ) 5.0 3.2 0.5 ! <========== R307 ==========> assign (resid 307 and name HA )(resid 307 and name HN ) 2.8 1.0 0.3 assign (resid 307 and name HB1 )(resid 307 and name HN ) 5.0 3.2 0.5 assign (resid 307 and name HB2 )(resid 307 and name HN ) 5.0 3.2 0.5 assign (resid 307 and name HA )(resid 308 and name HN ) 5.0 3.2 0.5 ! <========== A308 ==========> assign (resid 308 and name HA )(resid 308 and name HN ) 2.8 1.0 0.3 assign (resid 308 and name HB )(resid 308 and name HN ) 2.8 1.0 0.3 assign (resid 308 and name HA )(resid 309 and name HN ) 5.0 3.2 1.5 assign (resid 308 and name HB# )(resid 309 and name HN ) 5.0 3.2 1.5 ! <========== L309 ==========> assign (resid 309 and name HN )(resid 310 and name HD2 ) 5.0 3.2 0.5 assign (resid 309 and name HN )(resid 310 and name HD1 ) 5.0 3.2 0.5 assign (resid 309 and name HA )(resid 310 and name HD1 ) 2.8 1.0 0.3 assign (resid 309 and name HA )(resid 310 and name HD2 ) 2.8 1.0 0.3 assign (resid 309 and name HA )(resid 310 and name HG# ) 5.0 3.2 1.5 ! <========== P310 ==========> assign (resid 310 and name HA )(resid 311 and name HN ) 2.8 1.0 0.3 assign (resid 310 and name HB1 )(resid 311 and name HN ) 2.8 1.0 0.3 assign (resid 310 and name HB2 )(resid 311 and name HN ) 2.8 1.0 0.3 assign (resid 310 and name HA )(resid 312 and name HN ) 3.9 2.1 0.4 assign (resid 310 and name HB1 )(resid 312 and name HN ) 5.0 3.2 0.5 assign (resid 310 and name HB2 )(resid 312 and name HN ) 5.0 3.2 0.5 assign (resid 310 and name HB2 )(resid 312 and name HD1 ) 5.0 3.2 0.5 assign (resid 310 and name HD1 )(resid 313 and name HB# ) 5.0 3.2 0.5 assign (resid 310 and name HD2 )(resid 313 and name HB# ) 3.9 2.1 0.4 assign (resid 310 and name HB1 )(resid 312 and name HE1 ) 3.9 2.1 0.4 assign (resid 310 and name HB2 )(resid 312 and name HE1 ) 3.9 2.1 0.4 ! <========== A311 ==========> assign (resid 311 and name HA )(resid 312 and name HN ) 2.8 1.0 0.3 assign (resid 311 and name HN )(resid 312 and name HB# ) 2.8 1.0 0.3 assign (resid 311 and name HN )(resid 313 and name HB# ) 2.8 1.0 0.3 ! assign (resid 311 and name HA )(resid 313 and name HN ) 5.0 3.2 0.5 assign (resid 311 and name HA )(resid 314 and name HN ) 5.0 3.2 0.5 assign (resid 311 and name HB# )(resid 313 and name HN ) 5.0 3.2 3.5 assign (resid 311 and name HB# )(resid 314 and name HN ) 5.0 3.2 3.5 ! <========== W312 ==========> assign (resid 312 and name HA )(resid 313 and name HN ) 2.8 1.0 0.3 assign (resid 312 and name HB1 )(resid 313 and name HN ) 5.0 3.2 0.5 assign (resid 312 and name HB2 )(resid 313 and name HN ) 5.0 3.2 0.5 assign (resid 312 and name HH2 )(resid 313 and name HA ) 5.0 3.2 0.5 assign (resid 312 and name HH2 )(resid 313 and name HB# ) 2.8 1.0 1.3 assign (resid 312 and name HE3 )(resid 313 and name HA ) 3.9 2.1 0.4 assign (resid 312 and name HE3 )(resid 313 and name HB# ) 2.8 1.0 1.3 assign (resid 312 and name HA )(resid 317 and name HE* ) 5.0 3.2 0.5 assign (resid 312 and name HA )(resid 317 and name HD* ) 5.0 3.2 0.5 assign (resid 312 and name HB1 )(resid 317 and name HE* ) 5.0 3.2 0.5 assign (resid 312 and name HB1 )(resid 317 and name HD* ) 5.0 3.2 0.5 assign (resid 312 and name HB2 )(resid 317 and name HE* ) 5.0 3.2 0.5 assign (resid 312 and name HB2 )(resid 317 and name HD* ) 5.0 3.2 0.5 ! <========== A313 ==========> assign (resid 313 and name HN )(resid 314 and name HN ) 3.9 2.1 0.4 assign (resid 313 and name HA )(resid 314 and name HN ) 2.8 1.0 0.3 assign (resid 313 and name HB# )(resid 314 and name HN ) 3.9 2.1 1.4 ! <========== R314 ==========> assign (resid 314 and name HN )(resid 315 and name HD2 ) 3.9 2.1 0.4 assign (resid 314 and name HN )(resid 315 and name HD1 ) 3.9 2.1 0.4 assign (resid 314 and name HA )(resid 315 and name HD1 ) 2.8 1.0 0.3 assign (resid 314 and name HA )(resid 315 and name HD2 ) 2.8 1.0 0.3 ! <========== P315 ==========> assign (resid 315 and name HA )(resid 316 and name HN ) 2.8 1.0 0.3 assign (resid 315 and name HB1 )(resid 316 and name HN ) 3.9 2.1 0.4 assign (resid 315 and name HB2 )(resid 316 and name HN ) 2.8 1.0 0.3 assign (resid 315 and name HG# )(resid 316 and name HN ) 3.9 2.1 1.4 assign (resid 315 and name HD1 )(resid 316 and name HN ) 3.9 2.1 0.4 assign (resid 315 and name HD2 )(resid 316 and name HN ) 3.9 2.1 0.4 ! <========== D316 ==========> assign (resid 316 and name HN )(resid 317 and name HN ) 3.9 2.1 0.4 assign (resid 316 and name HA )(resid 317 and name HN ) 3.9 2.1 1.4 assign (resid 316 and name HB# )(resid 317 and name HN ) 3.9 2.1 1.4 ! <========== Y317 ==========> assign (resid 317 and name HN )(resid 318 and name HN ) 3.9 2.1 0.4 assign (resid 317 and name HA )(resid 318 and name HN ) 2.8 1.0 0.3 assign (resid 317 and name HB1 )(resid 318 and name HN ) 5.0 3.2 0.5 assign (resid 317 and name HB2 )(resid 318 and name HN ) 5.0 3.2 0.5 assign (resid 317 and name HD* )(resid 318 and name HN ) 5.0 3.2 2.5 assign (resid 317 and name HD* )(resid 318 and name HA ) 5.0 3.2 2.5 assign (resid 317 and name HD* )(resid 318 and name HB2 ) 5.0 3.2 2.5 assign (resid 317 and name HD* )(resid 318 and name HB1 ) 5.0 3.2 2.5 ! assign (resid 317 and name HD* )(resid 319 and name HD1 ) 5.0 3.2 2.5 assign (resid 317 and name HD* )(resid 319 and name HD2 ) 5.0 3.2 2.5 assign (resid 317 and name HE* )(resid 320 and name HD1 ) 5.0 3.2 2.5 assign (resid 317 and name HE* )(resid 319 and name HD1 ) 5.0 3.2 2.5 assign (resid 317 and name HE* )(resid 319 and name HD2 ) 5.0 3.2 2.5 assign (resid 317 and name HD* )(resid 319 and name HB2 ) 5.0 3.2 2.5 assign (resid 317 and name HE* )(resid 319 and name HB1 ) 5.0 3.2 2.5 assign (resid 317 and name HE* )(resid 319 and name HB2 ) 5.0 3.2 2.5 ! <========== N15 ==========> assign (resid 318 and name HN )(resid 319 and name HD1 ) 5.0 3.2 0.5 assign (resid 318 and name HN )(resid 319 and name HD2 ) 5.0 3.2 0.5 assign (resid 318 and name HA )(resid 319 and name HD1 ) 2.8 1.0 0.3 assign (resid 318 and name HA )(resid 319 and name HD2 ) 2.8 1.0 0.3 assign (resid 318 and name HB1 )(resid 319 and name HD1 ) 5.0 3.2 0.5 assign (resid 318 and name HB1 )(resid 319 and name HD2 ) 5.0 3.2 0.5 assign (resid 318 and name HB2 )(resid 319 and name HD2 ) 5.0 3.2 0.5 ! <========== P319 ==========> assign (resid 319 and name HA )(resid 320 and name HD1 ) 2.8 1.0 0.3 assign (resid 319 and name HA )(resid 320 and name HD2 ) 2.8 1.0 0.3 ! <========== P320 ==========> assign (resid 320 and name HA )(resid 321 and name HN ) 2.8 1.0 0.3 assign (resid 320 and name HD1 )(resid 321 and name HN ) 5.0 3.2 0.5 assign (resid 320 and name HD2 )(resid 321 and name HN ) 5.0 3.2 0.5 assign (resid 320 and name HB2 )(resid 321 and name HN ) 5.0 3.2 0.5 assign (resid 320 and name HB1 )(resid 321 and name HN ) 5.0 3.2 0.5 assign (resid 320 and name HG# )(resid 321 and name HN ) 5.0 3.2 0.5 ! <========== L321 ==========> assign (resid 321 and name HA )(resid 322 and name HN ) 2.8 1.0 0.3 ! <========== V322 ==========> assign (resid 322 and name HN )(resid 323 and name HN ) 3.9 2.1 0.4 assign (resid 322 and name HA )(resid 323 and name HN ) 2.8 1.0 0.3 assign (resid 322 and name HB )(resid 323 and name HN ) 3.9 2.1 1.4 assign (resid 322 and name HG# )(resid 323 and name HN ) 5.0 3.2 1.5 ! <========== D323 ==========>
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