NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	cing	stage	position	type
	24992	2k5z	cing	1-original	16	comment

end

set message=normal echo=off end

!************************************ Sugar Pucker ************************************
!violations always involve C4'/C3'/C2'
evaluate ($sugar_force = 20)    

evaluate ($sugar_nu1N  =-28)   !-28 fig 2-9 !-20 Saenger fig 4-6
evaluate ($sugar_nu2N  = 39)  !39 fig 2-9 !35 Saenger fig 4-6
evaluate ($sugar_nu3N  =-36)    !-36 fig 2-9 !-42 Saenger fig 4-6
evaluate ($sugar_nu4N  = 18.7)  !18.7 fig 2-9 !35 Saenger fig 4-6
evaluate ($sugar_nu5N  = 5.6)  !5.6 fig 2-9 !-12 Saenger fig 4-6
  
evaluate ($sugar_nu1S  = 38)   !38 fig 2-9 !37 Saenger fig 4-6
evaluate ($sugar_nu2S  =-38)   !-38 fig 2-9 !-38 Saenger fig 4-6
evaluate ($sugar_nu3S  = 22)    !22 fig 2-9 !25 Saenger fig 4-6
evaluate ($sugar_nu4S  = 1.4)   !1.4 fig 2.9 !-5 Saenger fig 4-6
evaluate ($sugar_nu5S  = -25)    !-25 fig 2-9 !-35 Saenger fig 4-6
  
evaluate ($sugar_range1 = 60) 
evaluate ($sugar_range2 = 15)
evaluate ($sugar_range3 = 30) 
evaluate ($sugar_range4 = 30)



!___________________________________________________________________________

evaluate ($i = 1)
evaluate ($j = 14)
while ($i < $j) loop SEQ1
restraint dihedral

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