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
	584803	2mbz	19421	cing	1-original	5	XPLOR/CNS	dihedral angle

! chi1 Val
assign  (resid 12 and name n) (resid 12 and name ca)
  (resid 12 and name cb) (resid 12 and name cg1) 1.0 180.0 30.0 2
assign  (resid 65 and name n) (resid 65 and name ca)
  (resid 65 and name cb) (resid 65 and name cg1) 1.0 180.0 30.0 2
assign  (resid 139 and name n) (resid 139 and name ca)
  (resid 139 and name cb) (resid 139 and name cg1) 1.0 180.0 30.0 2
! chi1  Ile
assign  (resid 53 and name n) (resid 53 and name ca)
  (resid 53 and name cb) (resid 53 and name cg1) 1.0 -60.0 30.0 2
assign  (resid 119 and name n) (resid 119 and name ca)
  (resid 119 and name cb) (resid 119 and name cg1) 1.0 -60.0 30.0 2
assign  (resid 134 and name n) (resid 134 and name ca)
  (resid 134 and name cb) (resid 134 and name cg1) 1.0 -60.0 30.0 2
! chi1 Thr
assign  (resid 5 and name n) (resid 5 and name ca)
  (resid 5 and name cb) (resid 5 and name og1) 1.0 60.0 30.0 2
assign  (resid 32 and name n) (resid 32 and name ca)
  (resid 32 and name cb) (resid 32 and name og1) 1.0 60.0 30.0 2
assign  (resid 42 and name n) (resid 42 and name ca)
  (resid 42 and name cb) (resid 42 and name og1) 1.0 60.0 30.0 2
assign  (resid 46 and name n) (resid 46 and name ca)
  (resid 46 and name cb) (resid 46 and name og1) 1.0 60.0 30.0 2
assign  (resid 61 and name n) (resid 61 and name ca)
  (resid 61 and name cb) (resid 61 and name og1) 1.0 60.0 30.0 2      !???
assign  (resid 103 and name n) (resid 103 and name ca)
  (resid 103 and name cb) (resid 103 and name og1) 1.0 60.0 30.0 2
! chi1 Phe, Tyr, Trp, His
! chi1 hncocg_aro hncg_aro
assign  (resid 10 and name n) (resid 10 and name ca)
  (resid 10 and name cb) (resid 10 and name CG) 1.0 180.0 30.0 2
assign  (resid 16 and name n) (resid 16 and name ca)
  (resid 16 and name cb) (resid 16 and name CG) 1.0 180.0 40.0 2
assign  (resid 35 and name n) (resid 35 and name ca)
  (resid 35 and name cb) (resid 35 and name CG) 1.0 180.0 30.0 2
assign  (resid 45 and name n) (resid 45 and name ca)
  (resid 45 and name cb) (resid 45 and name CG) 1.0 -60.0 30.0 2
assign  (resid 64 and name n) (resid 64 and name ca)
  (resid 64 and name cb) (resid 64 and name CG) 1.0 -60.0 30.0 2
assign  (resid 86 and name n) (resid 86 and name ca)
  (resid 86 and name cb) (resid 86 and name CG) 1.0 180.0 30.0 2
assign  (resid 99 and name n) (resid 99 and name ca)
  (resid 99 and name cb) (resid 99 and name CG) 1.0 -60.0 30.0 2
assign  (resid 102 and name n) (resid 102 and name ca)
  (resid 102 and name cb) (resid 102 and name CG) 1.0 180.0 30.0 2
assign  (resid 129 and name n) (resid 129 and name ca)
  (resid 129 and name cb) (resid 129 and name CG) 1.0 180.0 30.0 2
assign  (resid 141 and name n) (resid 141 and name ca)
  (resid 141 and name cb) (resid 141 and name CG) 1.0 -60.0 30.0 2
! chi2 aromatics  not experimental
!                 prevents the aromatics to be planar with backbone
assign  (resid 10 and name ca) (resid 10 and name cb)
  (resid 10 and name cg) (resid 10 and name cd1) 1.0 90 40 2
assign  (resid 13 and name ca) (resid 13 and name cb)
  (resid 13 and name cg) (resid 13 and name cd1) 1.0 90 40 2
assign  (resid 16 and name ca) (resid 16 and name cb)
  (resid 16 and name cg) (resid 16 and name cd1) 1.0 90 40 2
assign  (resid 21 and name ca) (resid 21 and name cb)
  (resid 21 and name cg) (resid 21 and name cd1) 1.0 90 40 2
assign  (resid 35 and name ca) (resid 35 and name cb)
  (resid 35 and name cg) (resid 35 and name cd1) 1.0 90 40 2
assign  (resid 45 and name ca) (resid 45 and name cb)
  (resid 45 and name cg) (resid 45 and name cd1) 1.0 90 40 2
assign  (resid 64 and name ca) (resid 64 and name cb)
  (resid 64 and name cg) (resid 64 and name cd1) 1.0 90 40 2
assign  (resid 95 and name ca) (resid 95 and name cb)
  (resid 95 and name cg) (resid 95 and name cd1) 1.0 90 40 2
assign  (resid 99 and name ca) (resid 99 and name cb)
  (resid 99 and name cg) (resid 99 and name cd1) 1.0 90 40 2
assign  (resid 109 and name ca) (resid 109 and name cb)
  (resid 109 and name cg) (resid 109 and name cd1) 1.0 90 40 2
assign  (resid 115 and name ca) (resid 115 and name cb)
  (resid 115 and name cg) (resid 115 and name cd1) 1.0 90 40 2
assign  (resid 129 and name ca) (resid 129 and name cb)
  (resid 129 and name cg) (resid 129 and name cd1) 1.0 90 40 2

Contact the webmaster for help, if required. Tuesday, May 28, 2024 11:44:16 PM GMT (wattos1)