NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id bmrb_id cing in_recoord stage position program type subtype subsubtype
3151 1d8v 4522 cing recoord 1-original 1 XPLOR/CNS distance NOE simple 

! pck2xplr.nawk Table; Input File: nnnoe.tbl
!   Date: Wed Nov 19 11:05:08 EST 1997
!   Path: /u1/yxwang/structures
!
!@ BEGIN_XPLR_PCK_SUM

!@ END_XPLR_PCK_SUM
!@ BEGIN_XPLR_NOE_FILE
!
!

! Intraresidue constraints for 24,77,177,248,249,253 for phi ~+60

assign (resid  24 and name   HA ) (resid  24 and name   HN )  2.5  0.7  0.4 ! B.3778 at 4.00e-01
assign (resid  32 and name   HA ) (resid  32 and name   HN )  2.5  0.7  0.4 ! B.3778 at 4.00e-01
assign (resid  33 and name   HA ) (resid  33 and name   HN )  2.5  0.7  0.4 ! B.3778 at 4.00e-01
!assign (resid  43 and name   HA ) (resid  43 and name   HN )  2.5  0.7  0.4 ! B.3778 at 4.00e-01
assign (resid  57 and name   HA ) (resid  57 and name   HN )  2.5  0.7  0.4 ! B.3778 at 4.00e-01
assign (resid  69 and name   HA ) (resid  69 and name   HN )  2.5  0.7  0.4 ! B.3778 at 4.00e-01
assign (resid  77 and name   HA ) (resid  77 and name   HN )  2.5  0.7  0.4 ! B.3778 at 4.00e-01
assign (resid  85 and name   HA ) (resid  85 and name   HN )  2.5  0.7  0.4 ! B.3778 at 4.00e-01
assign (resid 117 and name   HA ) (resid 117 and name   HN )  2.5  0.7  0.4 ! B.3778 at 4.00e-01
assign (resid 204 and name   HA# ) (resid 204 and name   HN )  2.5  0.7  1.4 ! B.3778 at 4.00e-01
assign (resid 205 and name   HA# ) (resid 205 and name   HN )  2.5  0.7  1.4 ! B.3778 at 4.00e-01
assign (resid 218 and name   HA# ) (resid 218 and name   HN )  2.5  0.7  1.4 ! B.3778 at 4.00e-01
assign (resid 248 and name   HA ) (resid 248 and name   HN )  2.5  0.7  0.4 ! B.3778 at 4.00e-01
assign (resid 249 and name   HA ) (resid 249 and name   HN )  2.5  0.7  0.4 ! B.3778 at 4.00e-01
assign (resid 253 and name   HA ) (resid 253 and name   HN )  2.5  0.7  0.4 ! B.3778 at 4.00e-01

!Add intraresidue restraints for the active site residues
assign (resid  70 and name   HB1 ) (resid  70 and name   HN )  2.5  0.7  0.4 ! B.3778 at 4.00e-01
assign (resid  70 and name   HB2 ) (resid  70 and name   HN )  4.0  2.2  1.0 ! B.3778 at 4.00e-01
assign (resid  70 and name   HD# ) (resid  70 and name   HN )  3.0  1.2  2.7 ! B.3778 at 4.00e-01
assign (resid 109 and name   HB# ) (resid 109 and name   HN )  3.0  1.2  1.5 ! B.3778 at 4.00e-01
assign (resid 109 and name   HD# ) (resid 109 and name   HN )  4.0  2.2  3.7 ! B.3778 at 4.00e-01
assign (resid 109 and name   HB1 ) (resid 109 and name   HN )  3.0  1.2  0.5 ! B.3778 at 4.00e-01
assign (resid 109 and name   HB2 ) (resid 109 and name   HN )  4.0  2.2  1.0 ! B.3778 at 4.00e-01
assign (resid 158 and name   HG1 ) (resid 158 and name   HN )  4.0  2.2  1.0 ! B.3778 at 4.00e-01
assign (resid 158 and name   HG2 ) (resid 158 and name   HN )  4.0  2.2  1.0 ! B.3778 at 4.00e-01
assign (resid 161 and name   HB# ) (resid 161 and name   HN )  3.0  1.2  0.5 ! B.3778 at 4.00e-01
assign (resid 161 and name   HG# ) (resid 161 and name   HN )  3.0  1.2  0.5 ! B.3778 at 4.00e-01

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