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
	12126	1skl	6168	cing	1-original	3	AMBER	stereochemistry	chirality

#
#
############### chirality and trans omega restraints ################
#
#
#
#
#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=3,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 1000., rk3=1000.,  &end
#
#  chirality for residue 1 atoms:  CB CD HG2 HG3
 &rst iat=5,11,9,10, &end
#
#  chirality for residue 1 atoms:  CG NE HD2 HD3
 &rst iat=8,14,12,13, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,23,4,5, &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=27,32,30,31, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=29,35,33,34, &end
#
#  chirality for residue 2 atoms:  CG NE HD2 HD3
 &rst iat=32,38,36,37, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=25,47,28,29, &end

#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=51,56,54,55, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=49,67,52,53, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=77,82,80,81, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=75,93,78,79, &end


#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=103,108,106,107, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=105,111,109,110, &end
#
#  chirality for residue 5 atoms:  CG NE HD2 HD3
 &rst iat=108,114,112,113, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=101,123,104,105, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=127,132,130,131, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=125,143,128,129, &end
#
#  trans-omega constraint for residue 1
 &rst iat=3,1,143,127, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 2
 &rst iat=27,25,23,3,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=51,49,47,27, &end
#
#  trans-omega constraint for residue 4
 &rst iat=77,75,67,51, &end
#
#  trans-omega constraint for residue 5
 &rst iat=103,101,93,77, &end
#
#  trans-omega constraint for residue 6
 &rst iat=127,125,123,103, &end

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