NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype
497162 2vda cing 1-original 1 XPLOR/CNS distance PRE


! The oxygen atom of MTSL is denoted as OAH

! PRE derived constraints for K7C-MTSL
!-------------Upper and Lower bound constraints------------

assign (segid A and (resid 235 and name HE*))
       (segid B and (resid 7 and name OAH)) 24.4 8.0 0.0 !
assign (segid A and (resid 239 and name HG1#))
       (segid B and (resid 7 and name OAH)) 20.4 8.0 0.0 !
assign (segid A and (resid 239 and name HG2#))
       (segid B and (resid 7 and name OAH)) 22.5 8.0 0.0 !
assign (segid A and (resid 242 and name HD*))
       (segid B and (resid 7 and name OAH)) 18.5 8.0 0.0 !
assign (segid A and (resid 243 and name HD*))
       (segid B and (resid 7 and name OAH)) 25.0 8.0 0.0 !
assign (segid A and (resid 246 and name HD1#))
       (segid B and (resid 7 and name OAH)) 24.0 8.0 0.0 !
assign (segid A and (resid 246 and name HD2#))
       (segid B and (resid 7 and name OAH)) 23.6 8.0 0.0 !
assign (segid A and (resid 247 and name HD*))
       (segid B and (resid 7 and name OAH)) 30.3 8.0 0.0 !
assign (segid A and (resid 274 and name HD2#))
       (segid B and (resid 7 and name OAH)) 31.3 8.0 0.0 !
assign (segid A and (resid 279 and name HD1#))
       (segid B and (resid 7 and name OAH)) 27.8 8.0 0.0 !
assign (segid A and (resid 279 and name HD2#))
       (segid B and (resid 7 and name OAH)) 25.9 8.0 0.0 !
assign (segid A and (resid 280 and name HG1#))
       (segid B and (resid 7 and name OAH)) 28.3 8.0 0.0 !
assign (segid A and (resid 280 and name HG2#))
       (segid B and (resid 7 and name OAH)) 26.6 8.0 0.0 !
assign (segid A and (resid 281 and name HD1#))
       (segid B and (resid 7 and name OAH)) 29.2 8.0 0.0 !
assign (segid A and (resid 281 and name HD2#))
       (segid B and (resid 7 and name OAH)) 28.1 8.0 0.0 !
assign (segid A and (resid 282 and name HD*))
       (segid B and (resid 7 and name OAH)) 22.8 8.0 0.0 !
assign (segid A and (resid 285 and name HD1#))
       (segid B and (resid 7 and name OAH)) 21.9 8.0 0.0 !
assign (segid A and (resid 285 and name HD2#))
       (segid B and (resid 7 and name OAH)) 21.4 8.0 0.0 !
assign (segid A and (resid 298 and name HD1#))       
       (segid B and (resid 7 and name OAH)) 20.1 8.0 0.0 ! 
assign (segid A and (resid 298 and name HD2#))
       (segid B and (resid 7 and name OAH)) 21.0 8.0 0.0 !
assign (segid A and (resid 304 and name HD*))
       (segid B and (resid 7 and name OAH)) 26.4 8.0 0.0 !
assign (segid A and (resid 305 and name HE*))
       (segid B and (resid 7 and name OAH)) 22.4 8.0 0.0 !
assign (segid A and (resid 306 and name HD2#))
       (segid B and (resid 7 and name OAH)) 19.6 8.0 0.0 !
assign (segid A and (resid 307 and name HE*))
       (segid B and (resid 7 and name OAH)) 26.1 8.0 0.0 !
assign (segid A and (resid 310 and name HG1#))
       (segid B and (resid 7 and name OAH)) 21.3 8.0 0.0 !
assign (segid A and (resid 310 and name HG2#))
       (segid B and (resid 7 and name OAH)) 23.3 8.0 0.0 !
assign (segid A and (resid 314 and name HD1#))
       (segid B and (resid 7 and name OAH)) 27.6 8.0 0.0 !
assign (segid A and (resid 314 and name HD2#))
       (segid B and (resid 7 and name OAH)) 19.6 8.0 0.0 !
assign (segid A and (resid 365 and name HD*))
       (segid B and (resid 7 and name OAH)) 29.7 8.0 0.0 !
assign (segid A and (resid 676 and name HD#))
       (segid B and (resid 7 and name OAH)) 28.6 8.0 0.0 !
assign (segid A and (resid 676 and name HD#))
       (segid B and (resid 7 and name OAH)) 27.2 8.0 0.0 !
assign (segid A and (resid 683 and name HG#))
       (segid B and (resid 7 and name OAH)) 20.5 8.0 0.0 !
assign (segid A and (resid 683 and name HG#))
       (segid B and (resid 7 and name OAH)) 23.3 8.0 0.0 !
assign (segid A and (resid 688 and name HD*))
       (segid B and (resid 7 and name OAH)) 23.2 8.0 0.0 !
assign (segid A and (resid 692 and name HD*))
       (segid B and (resid 7 and name OAH)) 22.6 8.0 0.0 !
assign (segid A and (resid 700 and name HE*))
       (segid B and (resid 7 and name OAH)) 29.7 8.0 0.0 !
assign (segid A and (resid 703 and name HD*))
       (segid B and (resid 7 and name OAH)) 22.2 8.0 0.0 !
assign (segid A and (resid 706 and name HD#))
       (segid B and (resid 7 and name OAH)) 19.9 8.0 0.0 !
assign (segid A and (resid 716 and name HD#))
       (segid B and (resid 7 and name OAH)) 22.6 8.0 0.0 !
assign (segid A and (resid 716 and name HD#))
       (segid B and (resid 7 and name OAH)) 22.6 8.0 0.0 !
assign (segid A and (resid 718 and name HD#))
       (segid B and (resid 7 and name OAH)) 22.7 8.0 0.0 !
assign (segid A and (resid 718 and name HD#))
       (segid B and (resid 7 and name OAH)) 23.8 8.0 0.0 !
assign (segid A and (resid 720 and name HD*))
       (segid B and (resid 7 and name OAH)) 20.0 8.0 0.0 !
assign (segid A and (resid 724 and name HD#))
       (segid B and (resid 7 and name OAH)) 27.9 8.0 0.0 !       
assign (segid A and (resid 724 and name HD#))
       (segid B and (resid 7 and name OAH)) 25.2 8.0 0.0 !
assign (segid A and (resid 730 and name HD#))
       (segid B and (resid 7 and name OAH)) 28.0 8.0 0.0 !
assign (segid A and (resid 735 and name HD#))
       (segid B and (resid 7 and name OAH)) 25.8 8.0 0.0 !
assign (segid A and (resid 735 and name HD#))
       (segid B and (resid 7 and name OAH)) 24.8 8.0 0.0 !
assign (segid A and (resid 739 and name HD*))       
       (segid B and (resid 7 and name OAH)) 22.5 8.0 0.0 ! 
assign (segid A and (resid 740 and name HD#))
       (segid B and (resid 7 and name OAH)) 26.4 8.0 0.0 !
assign (segid A and (resid 740 and name HD#))
       (segid B and (resid 7 and name OAH)) 29.0 8.0 0.0 !
assign (segid A and (resid 746 and name HG#))
       (segid B and (resid 7 and name OAH)) 25.0 8.0 0.0 !
assign (segid A and (resid 746 and name HG#))
       (segid B and (resid 7 and name OAH)) 25.7 8.0 0.0 !
assign (segid A and (resid 759 and name HE*))
       (segid B and (resid 7 and name OAH)) 28.8 8.0 0.0 !
assign (segid A and (resid 766 and name HG#))
       (segid B and (resid 7 and name OAH)) 25.1 8.0 0.0 !
assign (segid A and (resid 766 and name HG#))
       (segid B and (resid 7 and name OAH)) 26.7 8.0 0.0 !
assign (segid A and (resid 767 and name HE*))
       (segid B and (resid 7 and name OAH)) 29.3 8.0 0.0 !
assign (segid A and (resid 774 and name HD#))
       (segid B and (resid 7 and name OAH)) 23.9 8.0 0.0 !
assign (segid A and (resid 774 and name HD#))
       (segid B and (resid 7 and name OAH)) 22.9 8.0 0.0 !
assign (segid A and (resid 810 and name HE*))
       (segid B and (resid 7 and name OAH)) 28.9 8.0 0.0 !
assign (segid A and (resid 814 and name HE*))
       (segid B and (resid 7 and name OAH)) 29.3 8.0 0.0 !
assign (segid A and (resid 815 and name HD#))
       (segid B and (resid 7 and name OAH)) 29.9 8.0 0.0 !
assign (segid A and (resid 818 and name HD#))
       (segid B and (resid 7 and name OAH)) 26.4 8.0 0.0 !
assign (segid A and (resid 818 and name HD#))
       (segid B and (resid 7 and name OAH)) 28.2 8.0 0.0 !
assign (segid A and (resid 822 and name HG#))
       (segid B and (resid 7 and name OAH)) 25.8 8.0 0.0 !
assign (segid A and (resid 822 and name HG#))
       (segid B and (resid 7 and name OAH)) 25.2 8.0 0.0 !
assign (segid A and (resid 823 and name HD*))
       (segid B and (resid 7 and name OAH)) 25.5 8.0 0.0 !
assign (segid A and (resid 826 and name HD#))
       (segid B and (resid 7 and name OAH)) 26.3 8.0 0.0 !
assign (segid A and (resid 826 and name HD#))
       (segid B and (resid 7 and name OAH)) 26.3 8.0 0.0 !
assign (segid A and (resid 829 and name HG#))
       (segid B and (resid 7 and name OAH)) 24.2 8.0 0.0 !
assign (segid A and (resid 829 and name HG#))
       (segid B and (resid 7 and name OAH)) 25.0 8.0 0.0 !
assign (segid A and (resid 831 and name HG#))
       (segid B and (resid 7 and name OAH)) 29.1 8.0 0.0 !       
assign (segid A and (resid 831 and name HG#))
       (segid B and (resid 7 and name OAH)) 26.6 8.0 0.0 !
assign (segid A and (resid 833 and name HE*))
       (segid B and (resid 7 and name OAH)) 28.6 8.0 0.0 !



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