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
12121 1skk 6169 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 = 10., rk3=10.,  &end
#
#  chirality for residue 1 atoms:  CB CD HG2 HG3
 &rst iat=5,11,9,10, &end
#
#  chirality for residue 1 atoms:  CD NZ HE2 HE3
 &rst iat=11,17,15,16, &end
#
#  chirality for residue 1 atoms:  CG CE HD2 HD3
 &rst iat=8,14,12,13, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,21,4,5, &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=25,30,28,29, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=27,33,31,32, &end
#
#  chirality for residue 2 atoms:  CD NZ HE2 HE3
 &rst iat=33,39,37,38, &end
#
#  chirality for residue 2 atoms:  CG CE HD2 HD3
 &rst iat=30,36,34,35, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=23,43,26,27, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=47,52,50,51, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=45,67,48,49, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=71,76,74,75, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=69,91,72,73, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=95,100,98,99, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=97,103,101,102, &end
#
#  chirality for residue 5 atoms:  CD NZ HE2 HE3
 &rst iat=103,109,107,108, &end
#
#  chirality for residue 5 atoms:  CG CE HD2 HD3
 &rst iat=100,106,104,105, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=93,113,96,97, &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=25,23,21,3, &end
#
#  trans-omega constraint for residue 3
 &rst iat=47,45,43,25, &end
#
#  trans-omega constraint for residue 4
 &rst iat=71,69,67,47, &end
#
#  trans-omega constraint for residue 5
 &rst iat=95,93,91,71, &end
#
#  trans-omega constraint for residue 6
 &rst iat=117,115,113,95, &end



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