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
581090 2mnu 19906 cing 1-original 3 XPLOR/CNS distance NOE simple


! arbitrary for trp interaction
!assign (resid  209 and name HD1  ) (resid  218 and name HZ3  )   3.00   1.20   1.50
!assign (resid  209 and name HZ3  ) (resid  218 and name HB2  )   3.00   1.20   1.50
!assign (resid  211 and name HB2  ) (resid  216 and name HZ2  )   3.00   1.20   1.00
!assign (resid  211 and name HZ3  ) (resid  216 and name HD1  )   3.00   1.20   2.00

!assign (resid  210 and name HB   ) (resid  217 and name HB   )   3.00   1.20   2.00


! NEW added NOEs: cnoe
!assign (resid  14 and name  HD1 ) (resid 224 and name   HG )  3.8  2.0  0.5 ! A.185  at 1.91e+06

assign (resid  17 and name   HA ) (resid 224 and name   HG )  3.8  2.0  0.5 ! A.186  at 1.99e+06
assign (resid  17 and name   HN ) (resid 224 and name   HG )  4.1  2.3  1.5 ! A.183  at 1.29e+06

assign (resid  72 and name  HB2 ) (resid 222 and name HG2# )  3.2  1.4  0.5 ! A.175  at 5.88e+06

assign (resid  73 and name  HB1 ) (resid 222 and name   HB )  3.4  1.6  2.5 ! A.169  at 3.92e+06
assign (resid  74 and name   HA ) (resid 222 and name   HA )  3.0  1.2  2.5 ! A.152  at 8.20e+06

assign (resid  76 and name   HA ) (resid 217 and name HG2# )  3.5  1.7  1.5 ! A.127  at 3.13e+06
assign (resid  76 and name   HA ) (resid 219 and name   HA )  3.2  1.4  1.5 ! A.69   at 6.17e+06

assign (resid  77 and name   HN ) (resid 217 and name HG2# )  3.4  1.6  1.5 ! A.126  at 4.23e+06
assign (resid  77 and name   HA ) (resid 218 and name  HB1 )  4.2  2.4  1.5 ! A.134  at 1.10e+06
assign (resid  77 and name   HB ) (resid 218 and name  HB1 )  3.4  1.6  2.5 ! A.135  at 4.37e+06
assign (resid  77 and name   HN ) (resid 218 and name  HB1 )  4.1  2.3  1.5 ! A.63   at 1.25e+06
assign (resid  77 and name   HN ) (resid 219 and name   HA )  4.0  2.2  1.5 ! A.67   at 1.56e+06

assign (resid  78 and name   HA ) (resid 217 and name   HA )  3.2  1.4  2.5 ! A.54   at 6.06e+06

assign (resid  79 and name   HN ) (resid 217 and name   HA )  3.9  2.1  2.5 ! A.55   at 1.68e+06

assign (resid  80 and name   HA ) (resid 215 and name  HB1 )  4.0  2.2  2.5 ! A.111  at 1.60e+06
assign (resid  80 and name   HA ) (resid 215 and name  HD1 )  3.9  2.1  1.5 ! A.115  at 1.68e+06
assign (resid  80 and name   HA ) (resid 215 and name  HD2 )  3.9  2.1  1.5 ! A.114  at 1.64e+06

assign (resid 207 and name  HA1 ) (resid 207 and name   HN )  3.6  1.8  0.5 ! A.73   at 2.76e+06
assign (resid 207 and name  HA1 ) (resid 218 and name  HH2 )  2.9  1.1  0.5 ! A.15   at 1.04e+07
assign (resid 207 and name  HA2 ) (resid 218 and name  HH2 )  3.6  1.8  0.5 ! A.16   at 2.96e+06

assign (resid 208 and name  HB1 ) (resid 208 and name   HA )  2.9  1.1  0.5 ! A.84   at 1.15e+07
assign (resid 208 and name  HB2 ) (resid 208 and name   HA )  2.8  1.0  0.5 ! A.83   at 1.27e+07
assign (resid 208 and name  HB2 ) (resid 208 and name   HN )  3.5  1.7  0.5 ! A.79   at 3.11e+06
assign (resid 208 and name  HB1 ) (resid 209 and name   HN )  3.3  1.5  0.5 ! A.22   at 5.11e+06
assign (resid 208 and name  HB2 ) (resid 209 and name   HN )  3.1  1.3  0.5 ! A.21   at 7.22e+06
assign (resid 208 and name  HB2 ) (resid 209 and name  HD1 )  4.2  2.4  0.5 ! A.23   at 1.12e+06
assign (resid 208 and name   HA ) (resid 209 and name  HB2 )  3.5  1.7  1.5 !0.5 ! A.78   at 3.67e+06
assign (resid 208 and name   HA ) (resid 209 and name  HD1 )  3.7  1.9  0.5 ! A.20   at 2.25e+06
assign (resid 208 and name   HA ) (resid 209 and name   HN )  2.6  0.8  0.5 ! A.18   at 1.89e+07
assign (resid 208 and name  HB1 ) (resid 218 and name  HH2 )  3.7  1.9  0.5 ! A.80   at 2.26e+06

assign (resid 209 and name   HA ) (resid 209 and name  HD1 )  3.2  1.4  0.5 ! A.3    at 5.63e+06
assign (resid 209 and name   HA ) (resid 209 and name  HB2 )  3.3  1.5  0.5 ! A.5    at 4.84e+06
assign (resid 209 and name   HA ) (resid 209 and name   HN )  3.6  1.8  0.5 ! A.2    at 2.69e+06
assign (resid 209 and name  HB1 ) (resid 209 and name   HN )  3.7  1.9  0.5 ! A.7    at 2.38e+06
assign (resid 209 and name  HB2 ) (resid 209 and name  HD1 )  3.7  1.9  0.5 ! A.8    at 2.43e+06
assign (resid 209 and name   HA ) (resid 210 and name   HN )  3.1  1.3  0.5 ! A.1    at 7.25e+06
assign (resid 209 and name  HE3 ) (resid 216 and name  HB2 )  4.1  2.3  0.5 ! A.49   at 1.28e+06
assign (resid 209 and name  HE3 ) (resid 217 and name   HA )  3.9  2.1  0.5 ! A.53   at 1.89e+06
assign (resid 209 and name   HA ) (resid 218 and name   HA )  3.0  1.2  0.5 ! A.4    at 8.39e+06
assign (resid 209 and name   HA ) (resid 218 and name  HB1 )  4.3  2.5  1.5 !0.5 ! A.86   at 1.02e+06

assign (resid 210 and name   HB ) (resid 210 and name   HA )  2.9  1.1  0.5 ! A.97   at 1.07e+07
assign (resid 210 and name   HB ) (resid 210 and name HG2# )  2.6  0.8  0.5 ! A.96   at 1.96e+07
assign (resid 210 and name   HA ) (resid 210 and name HG2# )  3.2  1.4  0.5 ! A.92   at 5.61e+06
assign (resid 210 and name   HB ) (resid 211 and name   HN )  3.3  1.5  0.5 ! A.27   at 4.86e+06
assign (resid 210 and name   HA ) (resid 211 and name  HB1 )  4.2  2.4  0.5 ! A.91   at 1.07e+06
assign (resid 210 and name   HA ) (resid 211 and name   HN )  2.9  1.1  0.5 ! A.24   at 9.63e+06

assign (resid 211 and name  HB1 ) (resid 211 and name   HN )  3.3  1.5  0.5 ! A.29   at 4.55e+06
assign (resid 211 and name  HB1 ) (resid 211 and name   HA )  3.7  1.9  0.5 ! A.31   at 2.51e+06
assign (resid 211 and name  HB1 ) (resid 211 and name  HE3 )  3.9  2.1  0.5 ! A.30   at 1.82e+06
!#assign (resid 211 and name  HB1 ) (resid 212 and name  HB2 )  3.1  1.3  0.5 ! A.32   at 7.43e+06
assign (resid 211 and name  HZ3 ) (resid 214 and name  HA2 )  3.9  2.1  0.5 ! A.105  at 1.65e+06
assign (resid 211 and name  HE3 ) (resid 215 and name   HA )  4.1  2.3  0.5 ! A.37   at 1.37e+06

assign (resid 215 and name   HA ) (resid 216 and name   HN )  3.2  1.4  0.5 ! A.34   at 6.02e+06
assign (resid 215 and name  HB1 ) (resid 216 and name   HN )  3.8  2.0  0.5 ! A.38   at 2.18e+06

assign (resid 216 and name   HA ) (resid 216 and name  HB2 )  3.9  2.1  0.5 ! A.122  at 1.70e+06
assign (resid 216 and name  HB2 ) (resid 216 and name  HB1 )  3.3  1.5  0.5 ! A.124  at 5.26e+06
assign (resid 216 and name  HB1 ) (resid 216 and name   HN )  4.2  2.4  0.5 ! A.48   at 1.20e+06
assign (resid 216 and name  HB2 ) (resid 216 and name   HN )  3.9  2.1  0.5 ! A.47   at 1.72e+06
assign (resid 216 and name   HA ) (resid 217 and name   HN )  3.4  1.6  0.5 ! A.42   at 4.35e+06

assign (resid 217 and name   HA ) (resid 218 and name   HN )  2.9  1.1  0.5 ! A.51   at 9.91e+06
assign (resid 217 and name HG2# ) (resid 218 and name   HN )  3.3  1.5  0.5 ! A.125  at 4.82e+06
assign (resid 217 and name HG2# ) (resid 219 and name  HE1 )  3.3  1.5  0.5 ! A.130  at 4.60e+06

assign (resid 218 and name  HB1 ) (resid 218 and name   HN )  3.8  2.0  0.5 ! A.133  at 1.96e+06
assign (resid 218 and name  HB1 ) (resid 218 and name  HD1 )  3.9  2.1  0.5 ! A.64   at 1.90e+06
assign (resid 218 and name   HA ) (resid 219 and name   HN )  2.8  1.0  0.5 ! A.58   at 1.31e+07

assign (resid 219 and name   HA ) (resid 220 and name  HA2 )  3.8  2.0  0.5 ! A.71   at 2.09e+06
assign (resid 219 and name   HA ) (resid 220 and name   HN )  2.7  0.9  0.5 ! A.70   at 1.44e+07
assign (resid 219 and name  HB2 ) (resid 220 and name   HN )  4.1  2.3  0.5 ! A.138  at 1.36e+06
assign (resid 219 and name  HB1 ) (resid 220 and name   HN )  3.8  2.0  0.5 ! A.137  at 2.04e+06
assign (resid 219 and name  HG1 ) (resid 220 and name   HN )  4.2  2.4  0.5 ! A.140  at 1.17e+06
assign (resid 219 and name  HG2 ) (resid 220 and name   HN )  4.1  2.3  0.5 ! A.139  at 1.28e+06

! NEW added NOEs: aronoe
assign (resid  12 and name  HB2 ) (resid 209 and name  HZ2 )  4.3  2.5  0.5 ! A.43   at 9.55e+05
assign (resid  12 and name HD2# ) (resid 209 and name  HZ2 )  5.1  3.3  0.5 ! A.45   at 3.69e+05
assign (resid  12 and name  HB2 ) (resid 218 and name  HZ3 )  5.1  3.3  0.5 ! A.72   at 3.42e+05

assign (resid 207 and name  HA1 ) (resid 218 and name  HZ2 )  4.7  2.9  0.5 ! A.36   at 6.04e+05

assign (resid 208 and name   HA ) (resid 209 and name  HD1 )  5.1  3.3  0.5 ! A.21   at 3.50e+05

assign (resid 209 and name  HD1 ) (resid 209 and name  HB1 )  4.4  2.6  0.5 ! A.19   at 9.14e+05
assign (resid 209 and name  HD1 ) (resid 209 and name  HE1 )  4.0  2.2  0.5 ! A.1    at 1.47e+06
assign (resid 209 and name  HD1 ) (resid 209 and name   HN )  4.7  2.9  0.5 ! A.70   at 5.82e+05
assign (resid 209 and name  HH2 ) (resid 209 and name  HZ2 )  4.6  2.8  0.5 ! A.68   at 6.49e+05
assign (resid 209 and name  HD1 ) (resid 218 and name  HZ3 )  5.1  3.3  0.5 ! A.20   at 3.42e+05

assign (resid 211 and name  HH2 ) (resid 211 and name  HZ3 )  5.0  3.2  0.5 ! A.56   at 4.01e+05
assign (resid 211 and name  HH2 ) (resid 211 and name  HZ2 )  4.7  2.9  0.5 ! A.33   at 5.83e+05
assign (resid 211 and name  HZ3 ) (resid 211 and name  HE3 )  4.2  2.4  0.5 ! A.12   at 1.08e+06
assign (resid 211 and name  HZ2 ) (resid 211 and name  HE1 )  4.3  2.5  0.5 ! A.5    at 9.86e+05
assign (resid 211 and name  HZ2 ) (resid 214 and name  HA1 )  5.0  3.2  0.5 ! A.9    at 3.93e+05
assign (resid 211 and name  HZ2 ) (resid 214 and name  HA2 )  4.6  2.8  0.5 ! A.8    at 6.86e+05

assign (resid 216 and name  HD1 ) (resid 216 and name  HE1 )  4.7  2.9  0.5 ! A.4    at 5.48e+05

assign (resid 218 and name  HD1 ) (resid 218 and name  HE1 )  4.5  2.7  0.5 ! A.2    at 7.81e+05
assign (resid 218 and name  HH2 ) (resid 218 and name  HZ3 )  4.0  2.2  0.5 ! A.29   at 1.55e+06
assign (resid 218 and name  HH2 ) (resid 218 and name  HZ2 )  3.8  2.0  0.5 ! A.28   at 2.16e+06
assign (resid 218 and name  HZ3 ) (resid 218 and name  HZ2 )  5.0  3.2  0.5 ! A.64   at 3.80e+05
assign (resid 218 and name  HZ2 ) (resid 218 and name  HE1 )  4.5  2.7  0.5 ! A.25   at 7.64e+05

! NEW added NOEs: nnoe
assign (resid  11 and name   HA ) (resid 209 and name  HE1 )  3.6  1.8  0.5 ! A.9    at 2.65e+06

assign (resid  12 and name  HB1 ) (resid 209 and name  HE1 )  4.0  2.2  0.5 ! A.714  at 1.60e+06
assign (resid  12 and name  HB2 ) (resid 209 and name  HE1 )  4.0  2.2  0.5 ! A.13   at 1.63e+06

assign (resid 207 and name  HA1 ) (resid 218 and name  HE1 )  4.1  2.3  0.5 ! A.44   at 1.31e+06

assign (resid 208 and name   HN ) (resid 209 and name   HN )  4.4  2.6  0.5 ! A.826  at 9.07e+05
assign (resid 208 and name   HA ) (resid 209 and name   HN )  2.8  1.0  0.5 ! A.262  at 1.35e+07
assign (resid 208 and name  HB2 ) (resid 209 and name   HN )  3.0  1.2  0.5 ! A.246  at 7.86e+06

assign (resid 209 and name  HZ2 ) (resid 209 and name  HE1 )  3.5  1.7  0.5 ! A.8    at 3.21e+06
!assign (resid 209 and name  HE1 ) (resid 209 and name  HE1 )  2.4  0.6  0.5 ! A.14   at 3.64e+07
assign (resid 209 and name   HA ) (resid 209 and name   HN )  3.8  2.0  0.5 ! A.248  at 2.06e+06
assign (resid 209 and name  HB2 ) (resid 209 and name   HN )  3.1  1.3  0.5 ! A.247  at 7.48e+06
assign (resid 209 and name  HD1 ) (resid 209 and name   HN )  3.5  1.7  0.5 ! A.258  at 3.51e+06

assign (resid 211 and name  HB1 ) (resid 212 and name   HN )  4.3  2.5  0.5 ! A.815  at 9.95e+05

assign (resid 215 and name   HA ) (resid 216 and name   HN )  3.8  2.0  0.5 ! A.144  at 2.06e+06

assign (resid 218 and name  HZ2 ) (resid 218 and name  HE1 )  2.9  1.1  0.5 ! A.52   at 9.58e+06
assign (resid 218 and name  HD1 ) (resid 218 and name  HE1 )  2.7  0.9  0.5 ! A.56   at 1.66e+07


!@ END_XPLR_NOE_FILE


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