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
497163 2vda cing 1-original 2 XPLOR/CNS distance PRE


!---------------Upper bound only constraints---------------

assign (segid A and (resid 286 and name HD1#))
       (segid B and (resid 7 and name OAH)) 18.6 17.0 0.0 !       
assign (segid A and (resid 286 and name HD2#))
       (segid B and (resid 7 and name OAH)) 17.4 15.8 0.0 !
assign (segid A and (resid 287 and name HG1#))
       (segid B and (resid 7 and name OAH)) 14.2 12.6 0.0 !
assign (segid A and (resid 287 and name HG2#))
       (segid B and (resid 7 and name OAH)) 13.1 11.5 0.0 !
assign (segid A and (resid 291 and name HD*))
       (segid B and (resid 7 and name OAH)) 12.1 10.5 0.0 !
assign (segid A and (resid 292 and name HE*))
       (segid B and (resid 7 and name OAH)) 17.0 15.4 0.0 !
assign (segid A and (resid 306 and name HD1#))
       (segid B and (resid 7 and name OAH)) 17.5 15.9 0.0 !
assign (segid A and (resid 706 and name HD#))
       (segid B and (resid 7 and name OAH)) 17.6 16.0 0.0 !
assign (segid A and (resid 710 and name HD#))
       (segid B and (resid 7 and name OAH)) 18.8 17.2 0.0 !
assign (segid A and (resid 710 and name HD#))
       (segid B and (resid 7 and name OAH)) 18.3 16.7 0.0 !

! PRE derived constraints for Q25C-MTSL

!-------------Upper and Lower bound constraints------------

assign (segid A and (resid 187 and name HD#))
       (segid B and (resid 25 and name OAH)) 26.2 8.0 0.0 !
assign (segid A and (resid 187 and name HD#))
       (segid B and (resid 25 and name OAH)) 25.1 8.0 0.0 !
assign (segid A and (resid 191 and name HE*))
       (segid B and (resid 25 and name OAH)) 18.9 8.0 0.0 !
assign (segid A and (resid 199 and name HG#))
       (segid B and (resid 25 and name OAH)) 22.1 8.0 0.0 !
assign (segid A and (resid 199 and name HG#))
       (segid B and (resid 25 and name OAH)) 23.7 8.0 0.0 !
assign (segid A and (resid 223 and name HD2#))
       (segid B and (resid 25 and name OAH)) 32.2 8.0 0.0 !
assign (segid A and (resid 225 and name HD*))
       (segid B and (resid 25 and name OAH)) 24.1 8.0 0.0 !
assign (segid A and (resid 235 and name HE*))
       (segid B and (resid 25 and name OAH)) 20.0 8.0 0.0 !
assign (segid A and (resid 239 and name HG1#))
       (segid B and (resid 25 and name OAH)) 30.2 8.0 0.0 !
assign (segid A and (resid 239 and name HG2#))
       (segid B and (resid 25 and name OAH)) 29.4 8.0 0.0 !
assign (segid A and (resid 291 and name HD*))
       (segid B and (resid 25 and name OAH)) 27.6 8.0 0.0 !
assign (segid A and (resid 305 and name HE*))
       (segid B and (resid 25 and name OAH)) 26.4 8.0 0.0 !
assign (segid A and (resid 306 and name HD2#))
       (segid B and (resid 25 and name OAH)) 29.0 8.0 0.0 !
assign (segid A and (resid 365 and name HD*))
       (segid B and (resid 25 and name OAH)) 25.7 8.0 0.0 !
assign (segid A and (resid 372 and name HD1#))
       (segid B and (resid 25 and name OAH)) 22.8 8.0 0.0 !
assign (segid A and (resid 372 and name HD2#))
       (segid B and (resid 25 and name OAH)) 21.1 8.0 0.0 !
assign (segid A and (resid 375 and name HD*))
       (segid B and (resid 25 and name OAH)) 29.1 8.0 0.0 !
assign (segid A and (resid 659 and name HD*))
       (segid B and (resid 25 and name OAH)) 24.7 8.0 0.0 !
assign (segid A and (resid 666 and name HD#))
       (segid B and (resid 25 and name OAH)) 20.0 8.0 0.0 !
assign (segid A and (resid 666 and name HD#))
       (segid B and (resid 25 and name OAH)) 20.8 8.0 0.0 !
assign (segid A and (resid 667 and name HD#))
       (segid B and (resid 25 and name OAH)) 19.1 8.0 0.0 !
assign (segid A and (resid 669 and name HG#))
       (segid B and (resid 25 and name OAH)) 22.5 8.0 0.0 !
assign (segid A and (resid 669 and name HG#))
       (segid B and (resid 25 and name OAH)) 20.3 8.0 0.0 !
assign (segid A and (resid 672 and name HG#))
       (segid B and (resid 25 and name OAH)) 19.6 8.0 0.0 !
assign (segid A and (resid 676 and name HD*))
       (segid B and (resid 25 and name OAH)) 19.5 8.0 0.0 !
assign (segid A and (resid 679 and name HD*))
       (segid B and (resid 25 and name OAH)) 22.7 8.0 0.0 !
assign (segid A and (resid 683 and name HG#))
       (segid B and (resid 25 and name OAH)) 27.2 8.0 0.0 !
assign (segid A and (resid 683 and name HG#))
       (segid B and (resid 25 and name OAH)) 26.5 8.0 0.0 !
assign (segid A and (resid 746 and name HG#))
       (segid B and (resid 25 and name OAH)) 26.6 8.0 0.0 !
assign (segid A and (resid 746 and name HG#))
       (segid B and (resid 25 and name OAH)) 29.4 8.0 0.0 !
assign (segid A and (resid 753 and name HG#))
       (segid B and (resid 25 and name OAH)) 21.6 8.0 0.0 !
assign (segid A and (resid 753 and name HG#))
       (segid B and (resid 25 and name OAH)) 23.5 8.0 0.0 !
assign (segid A and (resid 767 and name HE*))
       (segid B and (resid 25 and name OAH)) 20.5 8.0 0.0 !
assign (segid A and (resid 771 and name HD#))
       (segid B and (resid 25 and name OAH)) 20.9 8.0 0.0 !       
assign (segid A and (resid 771 and name HD#))
       (segid B and (resid 25 and name OAH)) 20.7 8.0 0.0 !
assign (segid A and (resid 774 and name HD#))
       (segid B and (resid 25 and name OAH)) 23.3 8.0 0.0 !
assign (segid A and (resid 774 and name HD#))
       (segid B and (resid 25 and name OAH)) 24.0 8.0 0.0 !
assign (segid A and (resid 779 and name HD#))
       (segid B and (resid 25 and name OAH)) 25.7 8.0 0.0 !
assign (segid A and (resid 779 and name HD#))
       (segid B and (resid 25 and name OAH)) 28.2 8.0 0.0 !
assign (segid A and (resid 814 and name HE*))       
       (segid B and (resid 25 and name OAH)) 26.1 8.0 0.0 ! 
assign (segid A and (resid 815 and name HD#))
       (segid B and (resid 25 and name OAH)) 29.8 8.0 0.0 !
assign (segid A and (resid 815 and name HD#))
       (segid B and (resid 25 and name OAH)) 26.8 8.0 0.0 !
assign (segid A and (resid 818 and name HD#))
       (segid B and (resid 25 and name OAH)) 20.9 8.0 0.0 !
assign (segid A and (resid 818 and name HD#))
       (segid B and (resid 25 and name OAH)) 23.1 8.0 0.0 !
assign (segid A and (resid 822 and name HG#))
       (segid B and (resid 25 and name OAH)) 19.3 8.0 0.0 !
assign (segid A and (resid 822 and name HG#))
       (segid B and (resid 25 and name OAH)) 19.3 8.0 0.0 !
assign (segid A and (resid 823 and name HD*))
       (segid B and (resid 25 and name OAH)) 22.5 8.0 0.0 !
assign (segid A and (resid 831 and name HG#))
       (segid B and (resid 25 and name OAH)) 19.9 8.0 0.0 !
assign (segid A and (resid 831 and name HG#))
       (segid B and (resid 25 and name OAH)) 18.8 8.0 0.0 !
assign (segid A and (resid 833 and name HE*))
       (segid B and (resid 25 and name OAH)) 26.6 8.0 0.0 !

!---------------Upper bound only constraints---------------

assign (segid A and (resid 667 and name HD#))
       (segid B and (resid 25 and name OAH)) 16.2 14.6 0.0 !
assign (segid A and (resid 672 and name HG#))
       (segid B and (resid 25 and name OAH)) 18.0 16.4 0.0 !
assign (segid A and (resid 754 and name HG#))
       (segid B and (resid 25 and name OAH)) 15.0 13.4 0.0 !
assign (segid A and (resid 754 and name HG#))
       (segid B and (resid 25 and name OAH)) 17.3 15.7 0.0 !
assign (segid A and (resid 758 and name HE*))
       (segid B and (resid 25 and name OAH)) 10.2 8.6 0.0 !
assign (segid A and (resid 759 and name HE*))
       (segid B and (resid 25 and name OAH)) 17.6 16.0 0.0 !
assign (segid A and (resid 766 and name HG#))
       (segid B and (resid 25 and name OAH)) 15.6 14.0 0.0 !
assign (segid A and (resid 766 and name HG#))
       (segid B and (resid 25 and name OAH)) 13.0 11.4 0.0 !
assign (segid A and (resid 768 and name HD#))
       (segid B and (resid 25 and name OAH)) 14.1 12.5 0.0 !
assign (segid A and (resid 768 and name HD#))
       (segid B and (resid 25 and name OAH)) 16.8 15.2 0.0 !
assign (segid A and (resid 826 and name HD#))
       (segid B and (resid 25 and name OAH)) 18.7 17.1 0.0 !
assign (segid A and (resid 826 and name HD#))
       (segid B and (resid 25 and name OAH)) 16.3 14.7 0.0 !
assign (segid A and (resid 829 and name HG#))
       (segid B and (resid 25 and name OAH)) 18.3 16.7 0.0 !
assign (segid A and (resid 829 and name HG#))
       (segid B and (resid 25 and name OAH)) 16.4 14.8 0.0 !



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