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
	12116	1ski	6170	cing	1-original	3	AMBER	stereochemistry	chirality

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############### chirality and trans omega restraints ################
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#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=3,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 100., rk3=100.,  &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=49,68,52,53, &end
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#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=72,77,75,76, &end
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#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=70,89,73,74, &end
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#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=93,98,96,97, &end
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#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=95,101,99,100, &end
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#  chirality for residue 5 atoms:  CG NE HD2 HD3
 &rst iat=98,104,102,103, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=91,113,94,95, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=117,122,120,121, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=115,133,118,119, &end
#
#  trans-omega constraint for residue 1
 &rst iat=3,1,133,117, 
   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=72,70,68,51, &end
#
#  trans-omega constraint for residue 5
 &rst iat=93,91,89,72, &end
#
#  trans-omega constraint for residue 6
 &rst iat=117,115,113,93, &end

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