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
10707 1q6a 5824 cing 1-original 1 XPLOR/CNS distance NOE simple



! pck2xplr.nawk Table; Input File: c13c12noe-3.PCK
!   Date: Wed Jul 30 17:42:22 CDT 2003
!   Path: /home/vakon/NMR_data/KaiA/Th180C/Structure/analysis/noe
!
!@ BEGIN_XPLR_PCK_SUM
! LBL   File-Name                   All   Intra  Seq.  Short   Long
! A   c13c12noe-3.PCK                32     1     11      7     13
!    Total                           32     1     11      7     13

!@ END_XPLR_PCK_SUM
!@ BEGIN_XPLR_NOE_FILE


! SEGID a
! F47
assign (resid  47 and name  HE# ) (resid 303 and name HD1# )  3.0  1.2  0.8 ! A.98   at 1.32e+07

! S52
assign (resid  52 and name   HA ) (resid 300 and name  HD1 )  4.0  2.2  1.0 ! A.75   at -1.00e+07
assign (resid  52 and name   HA ) (resid 300 and name  HD2 )  4.0  2.2  1.0 ! A.76   at -9.64e+06

! V53
assign (resid  53 and name HG2# ) (resid  293 and name  HB# )  3.0  1.2  1.3 ! A.17   at 1.22e+07
assign (resid  53 and name HG2# ) (resid  293 and name   HA )  3.0  1.2  0.8 ! A.15   at 1.86e+07
assign (resid  53 and name HG1# ) (resid  293 and name   HA )  2.5  0.7  0.7 ! A.70   at 3.04e+07
assign (resid  53 and name HG1# ) (resid  293 and name  HB# )  2.5  0.7  1.2 ! A.72   at 3.08e+07
assign (resid  53 and name   HB ) (resid  293 and name  HB# )  4.0  2.2  1.5 ! A.11   at 8.23e+06
assign (resid  53 and name   HB ) (resid  293 and name   HA )  4.0  2.2  1.0 ! A.42   at 5.47e+06
assign (resid  53 and name HG2# ) (resid  296 and name  HB1 )  4.0  2.2  1.5 ! A.16   at 9.99e+06
assign (resid  53 and name HG2# ) (resid  296 and name  HB2 )  4.0  2.2  1.5 ! A.118   at 7.49e+06
assign (resid  53 and name HG2# ) (resid  297 and name   HA )  3.0  1.2  0.8 ! A.74   at 1.32e+07
assign (resid  53 and name HG2# ) (resid  297 and name  HB2 )  4.0  2.2  1.5 ! A.117   at 6.32e+06
assign (resid  53 and name HG2# ) (resid  297 and name  HG2 )  4.0  2.2  1.5 ! A.119   at 4.91e+06

! L57
assign (resid  57 and name  HB1 ) (resid  286 and name HD2# )  4.0  2.2  1.5 ! A.127  at 6.84e+06
assign (resid  57 and name   HG ) (resid  289 and name HG2# )  4.0  2.2  1.5 ! A.111  at 6.45e+06
assign (resid  57 and name HD1# ) (resid  293 and name  HB# )  2.5  0.7  1.2 ! A.19   at 2.66e+07
assign (resid  57 and name HD2# ) (resid  293 and name  HB# )  2.5  0.7  1.2 ! A.8    at 3.53e+07

! R85
assign (resid  85 and name   HA ) (resid  289 and name HD1# )  3.0  1.2  0.8 ! A.26   at 1.09e+07

! L86
assign (resid  86 and name   HA ) (resid  289 and name HD1# )  4.0  2.2  1.5 ! A.27   at 8.63e+06

! L88
assign (resid  88 and name   HG ) (resid  289 and name HD1# )  4.0  2.2  1.5 ! A.104  at 8.18e+06
assign (resid  88 and name HD1# ) (resid  289 and name HG2# )  3.0  1.2  1.3 ! A.87   at 1.69e+07
assign (resid  88 and name HD1# ) (resid  289 and name HD1# )  3.0  1.2  1.3 ! A.80   at 2.36e+07

! I89
assign (resid  89 and name HD1#  or resid 89 and name HG2# ) (resid  289 and name   HA )  3.0  1.2  0.8 ! A.81   at 1.07e+07
assign (resid  89 and name HG2# ) (resid  289 and name HG11 ) 4.0 2.2 1.5 ! A.125 at 4.62e+06
assign (resid 89 and name HD1# ) (resid 289 and name HG11 ) 4.0 2.2 1.5 ! A.134 at -9.61e+06
assign (resid 89 and name HD1# ) (resid 289 and name HD1# ) 2.5 0.7 1.2 ! A.130 at 4.94e+07
assign (resid 89 and name HD1# ) (resid 289 and name HB ) 4.0 2.2 1.5 ! A.129 at 1.07e+07 (widened1)

! I92
assign (resid  92 and name HD1# ) (resid  292 and name HG11 )  4.0  2.2  1.5 ! A.131   at 9.61e+06
assign (resid  92 and name HD1# ) (resid  292 and name   HB )  4.0  2.2  1.5 ! A.128   at 8.54e+06
assign (resid  92 and name HG2# ) (resid  293 and name   HA )  4.0  2.2  1.5 ! A.88   at 7.24e+06
assign (resid  92 and name HG2# ) (resid  293 and name  HB# )  3.0  1.2  1.3 ! A.108  at 1.14e+07
assign (resid  92 and name HD1# or resid 89 and name HG2# ) (resid  293 and name  HB# )  3.0  1.2  1.3 ! A.124  at 1.37e+07
assign (resid  92 and name HD1# ) (resid  293 and name   HA )  4.0  2.2  1.5 ! A.44   at 4.87e+06

! Y99
assign (resid  99 and name  HE# ) (resid 300 and name  HG# )  4.0  2.2  1.5 ! A.79   at 9.49e+06
assign (resid  99 and name  HE# ) (resid 303 and name HD1# )  4.0  2.2  1.5 ! A.78   at 6.52e+06
assign (resid  99 and name  HD# ) (resid 303 and name HG2# )  4.0  2.2  1.5 ! A.90   at 8.32e+06
assign (resid  99 and name   HA ) (resid 303 and name HD1# )  3.0  1.2  0.8 ! A.30   at 1.60e+07
assign (resid  99 and name  HD# ) (resid 303 and name HD1# )  2.5  0.7  0.7 ! A.32   at 2.62e+07

! S102
assign (resid 102 and name  HB# ) (resid 303 and name HG2# )  3.0  1.2  1.3 ! A.62   at 1.26e+07
assign (resid 102 and name   HA ) (resid 303 and name HG2# )  4.0  2.2  1.5 ! A.63   at 8.90e+06
assign (resid 102 and name  HB# ) (resid 303 and name HD1# )  3.0  1.2  1.3 ! A.38   at 1.58e+07
assign (resid 102 and name  HB# ) (resid 303 and name HG12 )  4.0  2.2  1.0 ! A.113  at 5.97e+06

! I103
assign (resid 103 and name HG11 ) (resid 303 and name HG12 )  4.0  2.2  1.0 ! A.110  at 6.64e+06
assign (resid 103 and name HD1# ) (resid 303 and name HA )  4.0  2.2  1.5 ! A.133  at 7.37e+06

! SEGID b
! F47
assign (resid 247 and name HE# ) (resid 103 and name HD1# ) 3.0 1.2 0.8 ! A.98 at 1.32e+07

! S52
assign (resid 252 and name HA ) (resid 100 and name HD1 ) 4.0 2.2 1.0 ! A.75 at -1.00e+07
assign (resid 252 and name HA ) (resid 100 and name HD2 ) 4.0 2.2 1.0 ! A.76 at -9.64e+06

! V53
assign (resid 253 and name HG2# ) (resid 93 and name HB# ) 3.0 1.2 1.3 ! A.17 at 1.22e+07
assign (resid 253 and name HG2# ) (resid 93 and name HA ) 3.0 1.2 0.8 ! A.15 at 1.86e+07
assign (resid 253 and name HG1# ) (resid 93 and name HA ) 2.5 0.7 0.7 ! A.70 at 3.04e+07
assign (resid 253 and name HG1# ) (resid 93 and name HB# ) 2.5 0.7 1.2 ! A.72 at 3.08e+07
assign (resid 253 and name HB ) (resid 93 and name HB# ) 4.0 2.2 1.5 ! A.11 at 8.23e+06
assign (resid 253 and name HB ) (resid 93 and name HA ) 4.0 2.2 1.0 ! A.42 at 5.47e+06
assign (resid 253 and name HG2# ) (resid 96 and name HB1 ) 4.0 2.2 1.5 ! A.16 at 9.99e+06
assign (resid 253 and name HG2# ) (resid 96 and name HB2 ) 4.0 2.2 1.5 ! A.118 at 7.49e+06
assign (resid 253 and name HG2# ) (resid 97 and name HA ) 3.0 1.2 0.8 ! A.74 at 1.32e+07
assign (resid 253 and name HG2# ) (resid 97 and name  HB2 )  4.0  2.2  1.5 ! A.117   at 6.32e+06
assign (resid 253 and name HG2# ) (resid 97 and name  HG2 )  4.0  2.2  1.5 ! A.119   at 4.91e+06

! L57
assign (resid 257 and name  HB1 ) (resid 86 and name HD2# )  4.0  2.2  1.5 ! A.127  at 6.84e+06
assign (resid 257 and name   HG ) (resid 89 and name HG2# )  4.0  2.2  1.5 ! A.111  at 6.45e+06
assign (resid 257 and name HD1# ) (resid 93 and name HB# ) 2.5 0.7 1.2 ! A.19 at 2.66e+07
assign (resid 257 and name HD2# ) (resid 93 and name HB# ) 2.5 0.7 1.2 ! A.8 at 3.53e+07

! R85
assign (resid 285 and name HA ) (resid 89 and name HD1# ) 3.0 1.2 0.8 ! A.26 at 1.09e+07

! L86
assign (resid  286 and name   HA ) (resid  89 and name HD1# )  4.0  2.2  1.5 ! A.27   at 8.63e+06

! L88
assign (resid 288 and name HG ) (resid 89 and name HD1# ) 4.0 2.2 1.5 ! A.104 at 8.18e+06
assign (resid 288 and name HD1# ) (resid 89 and name HG2# ) 3.0 1.2 1.3 ! A.87 at 1.69e+07
assign (resid 288 and name HD1# ) (resid 89 and name HD1# ) 3.0 1.2 1.3 ! A.80 at 2.36e+07

! I89
assign (resid 289 and name HD1# or resid 289 and name HG2# ) (resid 89 and name HA ) 3.0 1.2 0.8 ! A.81 at 1.07e+07
assign (resid 289 and name HG2# ) (resid 89 and name HG11 ) 4.0 2.2 1.5 ! A.125 at 4.62e+06
assign (resid 289 and name HD1# ) (resid 89 and name HG11 ) 4.0 2.2 1.5 ! A.134 at -9.61e+06
assign (resid 289 and name HD1# ) (resid 89 and name HD1# ) 2.5 0.7 1.2 ! A.130 at 4.94e+07
assign (resid 289 and name HD1# ) (resid 89 and name HB ) 4.0 2.2 1.5 ! A.129 at 1.07e+07 (widened1)

! I92
assign (resid 292 and name HD1# ) (resid 92 and name HG11 )  4.0  2.2  1.5 ! A.131   at 9.61e+06
assign (resid 292 and name HD1# ) (resid 92 and name   HB )  4.0  2.2  1.5 ! A.128   at 8.54e+06
assign (resid 292 and name HG2# ) (resid 93 and name HA ) 4.0 2.2 1.5 ! A.88 at 7.24e+06
assign (resid 292 and name HG2# ) (resid 93 and name HB# ) 3.0 1.2 1.3 ! A.108 at 1.14e+07
assign (resid 292 and name HD1# or resid 289 and name HG2# ) (resid 93 and name HB# ) 3.0 1.2 1.3 ! A.124 at 1.37e+07
assign (resid 292 and name HD1# ) (resid 93 and name HA ) 4.0 2.2 1.5 ! A.44 at 4.87e+06

! Y99
assign (resid 299 and name HE# ) (resid 100 and name HG# ) 4.0 2.2 1.5 ! A.79 at 9.49e+06
assign (resid 299 and name HE# ) (resid 103 and name HD1# ) 4.0 2.2 1.5 ! A.78 at 6.52e+06
assign (resid 299 and name HD# ) (resid 103 and name HG2# ) 4.0 2.2 1.5 ! A.90 at 8.32e+06
assign (resid 299 and name HA ) (resid 103 and name HD1# ) 3.0 1.2 0.8 ! A.30 at 1.60e+07
assign (resid 299 and name HD# ) (resid 103 and name HD1# ) 2.5 0.7 0.7 ! A.32 at 2.62e+07

! S102
assign (resid 302 and name HB# ) (resid 103 and name HG2# ) 3.0 1.2 1.3 ! A.62 at 1.26e+07
assign (resid 302 and name HA ) (resid 103 and name HG2# ) 4.0 2.2 1.5 ! A.63 at 8.90e+06
assign (resid 302 and name HB# ) (resid 103 and name HD1# ) 3.0 1.2 1.3 ! A.38 at 1.58e+07
assign (resid 302 and name  HB# ) (resid 103 and name HG12 )  4.0  2.2  1.0 ! A.113  at 5.97e+06

! I103
assign (resid 303 and name HG11 ) (resid 103 and name HG12 )  4.0  2.2  1.0 ! A.110  at 6.64e+06
assign (resid 303 and name HD1# ) (resid 103 and name HA )  4.0  2.2  1.5 ! A.133  at 7.37e+06


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