! resid 999 contains the four atoms which define the tensor ! the coordinates of resid 999 are appended to the pdb ! use our pdf file for the tensor ! ! the data are in the format: ! assign (atomselection) value error assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 48 and name N ) ( resid 48 and name HN ) 9.8010 0.2000 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 49 and name N ) ( resid 49 and name HN ) -29.1480 0.2000 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 52 and name N ) ( resid 52 and name HN ) -5.4910 0.2000 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 53 and name N ) ( resid 53 and name HN ) -22.1630 0.2000 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 55 and name N ) ( resid 55 and name HN ) -16.5700 0.2000 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 56 and name N ) ( resid 56 and name HN ) 2.2580 0.2000 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 58 and name N ) ( resid 58 and name HN ) -21.3140 0.2000 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 62 and name N ) ( resid 62 and name HN ) -14.7790 0.2000 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 63 and name N ) ( resid 63 and name HN ) -17.2560 0.2000 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 64 and name N ) ( resid 64 and name HN ) -21.0490 0.2000 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 65 and name N ) ( resid 65 and name HN ) -22.5730 0.2000 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 66 and name N ) ( resid 66 and name HN ) -24.2060 0.2000 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 67 and name N ) ( resid 67 and name HN ) -21.2730 0.2000 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 68 and name N ) ( resid 68 and name HN ) -19.5720 0.2000 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 69 and name N ) ( resid 69 and name HN ) -16.9170 0.2000 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 72 and name N ) ( resid 72 and name HN ) 8.8020 0.2000