NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
15897 |
1z2q   |
6594 | cing | 1-original | 2 | XPLOR/CNS | dipolar coupling |
!! Residual dipolar couplings recorded at 600 MHz
!! 10 mg/ml PF1
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 14 and name N )
( resid 14 and name HN ) 2.200 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 15 and name N )
( resid 15 and name HN ) -2.080 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 16 and name N )
( resid 16 and name HN ) 1.820 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 18 and name N )
( resid 18 and name HN ) 2.080 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 19 and name N )
( resid 19 and name HN ) 1.580 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 20 and name N )
( resid 20 and name HN ) 4.980 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 21 and name N )
( resid 21 and name HN ) 0.980 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 23 and name N )
( resid 23 and name HN ) -14.100 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 24 and name N )
( resid 24 and name HN ) -8.620 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 26 and name N )
( resid 26 and name HN ) -6.060 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 27 and name N )
( resid 27 and name HN ) -0.360 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 28 and name N )
( resid 28 and name HN ) 3.540 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 29 and name N )
( resid 29 and name HN ) 16.660 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 30 and name N )
( resid 30 and name HN ) -1.700 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 31 and name N )
( resid 31 and name HN ) -17.640 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 32 and name N )
( resid 32 and name HN ) 10.440 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 35 and name N )
( resid 35 and name HN ) 8.540 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 36 and name N )
( resid 36 and name HN ) -6.680 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 37 and name N )
( resid 37 and name HN ) 6.920 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 38 and name N )
! ( resid 38 and name HN ) -0.960 0.6
( resid 38 and name HN ) 0.010 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 39 and name N )
( resid 39 and name HN ) -3.280 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 40 and name N )
( resid 40 and name HN ) -3.520 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 41 and name N )
( resid 41 and name HN ) -12.980 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 42 and name N )
( resid 42 and name HN ) -3.520 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 43 and name N )
( resid 43 and name HN ) -14.820 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 44 and name N )
( resid 44 and name HN ) -5.960 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 46 and name N )
( resid 46 and name HN ) -5.240 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 47 and name N )
( resid 47 and name HN ) 0.260 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 48 and name N )
( resid 48 and name HN ) -1.460 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 50 and name N )
( resid 50 and name HN ) 15.440 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 51 and name N )
( resid 51 and name HN ) 12.140 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 52 and name N )
( resid 52 and name HN ) -7.280 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 53 and name N )
( resid 53 and name HN ) 1.080 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 54 and name N )
( resid 54 and name HN ) -2.920 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 55 and name N )
( resid 55 and name HN ) 4.980 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 56 and name N )
( resid 56 and name HN ) 8.260 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 57 and name N )
( resid 57 and name HN ) 8.020 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 58 and name N )
( resid 58 and name HN ) 0.740 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 60 and name N )
! ( resid 60 and name HN ) 2.920 0.6
( resid 60 and name HN ) 1.220 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 61 and name N )
( resid 61 and name HN ) -9.620 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 62 and name N )
! ( resid 62 and name HN ) 5.220 0.6
( resid 62 and name HN ) 5.460 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 63 and name N )
( resid 63 and name HN ) -2.780 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 64 and name N )
! ( resid 64 and name HN ) 4.500 0.6
( resid 64 and name HN ) 3.500 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 65 and name N )
( resid 65 and name HN ) 2.300 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 67 and name N )
( resid 67 and name HN ) -7.280 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 68 and name N )
( resid 68 and name HN ) 1.820 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 69 and name N )
( resid 69 and name HN ) -12.900 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 70 and name N )
( resid 70 and name HN ) -13.860 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 72 and name N )
( resid 72 and name HN ) 14.960 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 73 and name N )
( resid 73 and name HN ) 10.940 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 74 and name N )
( resid 74 and name HN ) 13.240 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 75 and name N )
! ( resid 75 and name HN ) 17.620 0.6
( resid 75 and name HN ) 17.480 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 76 and name N )
( resid 76 and name HN ) 15.420 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 77 and name N )
( resid 77 and name HN ) 8.860 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 78 and name N )
! ( resid 78 and name HN ) 13.860 0.6
( resid 78 and name HN ) 14.220 0.6
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 79 and name N )
! ( resid 79 and name HN ) 7.900 0.6
( resid 79 and name HN ) 8.060 0.6
!! SPARKY adjusted list changes - 240903
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 13 and name C )
( resid 14 and name N ) -1.718 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 14 and name C )
( resid 15 and name N ) 1.175 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 15 and name C )
( resid 16 and name N ) 5.514 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 17 and name C )
( resid 18 and name N ) -11.029 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 19 and name C )
( resid 20 and name N ) 4.430 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 20 and name C )
( resid 21 and name N ) -11.481 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 22 and name C )
( resid 23 and name N ) 4.882 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 23 and name C )
( resid 24 and name N ) -2.170 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 25 and name C )
! ( resid 26 and name N ) -20.250 2.0
( resid 26 and name N ) -15.639 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 26 and name C )
( resid 27 and name N ) -3.345 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 27 and name C )
( resid 28 and name N ) -5.514 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 28 and name C )
! ( resid 29 and name N ) -15.910 2.0
( resid 29 and name N ) -9.854 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 29 and name C )
( resid 30 and name N ) 14.916 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 30 and name C )
( resid 31 and name N ) -2.802 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 31 and name C )
( resid 32 and name N ) -17.538 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 34 and name C )
! ( resid 35 and name N ) -17.628 2.0
( resid 35 and name N ) -12.837 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 35 and name C )
( resid 36 and name N ) 9.854 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 36 and name C )
( resid 37 and name N ) -12.114 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 37 and name C )
! ( resid 38 and name N ) 1.085 2.0
( resid 38 and name N ) 2.622 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 38 and name C )
( resid 39 and name N ) 13.831 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 39 and name C )
! ( resid 40 and name N ) 3.887 2.0
( resid 40 and name N ) 0.362 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 40 and name C )
( resid 41 and name N ) 12.656 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 41 and name C )
( resid 42 and name N ) 0.542 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 43 and name C )
( resid 44 and name N ) -13.198 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 44 and name C )
! ( resid 45 and name N ) -9.854 2.0
( resid 45 and name N ) -3.345 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 46 and name C )
( resid 47 and name N ) -12.475 2.0 !
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 48 and name C )
! ( resid 49 and name N ) -18.170 2.0
( resid 49 and name N ) -17.447 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 49 and name C )
( resid 50 and name N ) 8.769 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 51 and name C )
( resid 52 and name N ) -6.147 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 53 and name C )
( resid 54 and name N ) -13.650 2.0 ! correct scale factor
! ( resid 54 and name N ) -12.382 2.0 ! BAD, wrong scale factor
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 55 and name C )
( resid 56 and name N ) -13.198 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 56 and name C )
( resid 57 and name N ) 12.114 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 57 and name C )
( resid 58 and name N ) -8.769 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 59 and name C )
( resid 60 and name N ) 13.650 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 60 and name C )
( resid 61 and name N ) -1.718 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 61 and name C )
( resid 62 and name N ) 14.374 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 62 and name C )
( resid 63 and name N ) -1.085 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 64 and name C )
( resid 65 and name N ) 6.599 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 66 and name C )
( resid 67 and name N ) 0.633 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 67 and name C )
( resid 68 and name N ) 16.995 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 68 and name C )
! ( resid 69 and name N ) 1.085 2.0
( resid 69 and name N ) 1.989 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 69 and name C )
! ( resid 70 and name N ) -0.994 2.0
( resid 70 and name N ) -3.978 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 72 and name C )
( resid 73 and name N ) 2.260 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 73 and name C )
( resid 74 and name N ) -20.340 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 74 and name C )
( resid 75 and name N ) 1.175 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 75 and name C )
! ( resid 76 and name N ) -1.718 2.0
( resid 76 and name N ) -2.350 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 76 and name C )
( resid 77 and name N ) -9.402 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 77 and name C )
( resid 78 and name N ) -4.972 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 78 and name C )
( resid 79 and name N ) -11.481 2.0
!! Updated list 240903 after SPARKY analysis
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 13 and name C )
( resid 14 and name HN ) -3.648 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 14 and name C )
( resid 15 and name HN ) -0.030 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 15 and name C )
! ( resid 16 and name HN ) 3.648 2.0
( resid 16 and name HN ) 0.334 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 17 and name C )
( resid 18 and name HN ) -3.648 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 19 and name C )
( resid 20 and name HN ) 5.472 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 20 and name C )
( resid 21 and name HN ) -5.442 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 22 and name C )
( resid 23 and name HN ) -5.472 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 23 and name C )
( resid 24 and name HN ) -10.914 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 25 and name C )
( resid 26 and name HN ) -14.592 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 26 and name C )
! ( resid 27 and name HN ) -9.120 2.0
( resid 27 and name HN ) -5.806 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 27 and name C )
( resid 28 and name HN ) -1.824 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 28 and name C )
( resid 29 and name HN ) 1.824 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 29 and name C )
( resid 30 and name HN ) 3.648 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 30 and name C )
( resid 31 and name HN ) -9.120 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 31 and name C )
( resid 32 and name HN ) -7.296 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 34 and name C )
! ( resid 35 and name HN ) -5.502 2.0
( resid 35 and name HN ) -5.138 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 35 and name C )
( resid 36 and name HN ) 3.648 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 36 and name C )
( resid 37 and name HN ) 1.854 2.0
!assign ( resid 500 and name OO )
! ( resid 500 and name Z )
! ( resid 500 and name X )
! ( resid 500 and name Y )
! ( resid 37 and name C )
! ( resid 38 and name HN ) 10.944 2.0 ! Out until everything else checks out
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 38 and name C )
( resid 39 and name HN ) 9.120 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 39 and name C )
! ( resid 40 and name HN ) -7.296 2.0
( resid 40 and name HN ) -7.205 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
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( resid 41 and name HN ) 1.824 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
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( resid 42 and name HN ) 0.030 2.0
assign ( resid 500 and name OO )
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( resid 43 and name C )
( resid 44 and name HN ) -12.738 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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! ( resid 45 and name HN ) -5.472 2.0
( resid 45 and name HN ) -1.064 2.0
assign ( resid 500 and name OO )
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( resid 500 and name X )
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! ( resid 47 and name HN ) -1.794 2.0
( resid 47 and name HN ) -3.496 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
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( resid 48 and name C )
! ( resid 49 and name HN ) -12.738 2.0
( resid 49 and name HN ) -10.002 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 49 and name C )
( resid 50 and name HN ) 10.944 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
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( resid 51 and name C )
( resid 52 and name HN ) -10.944 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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! ( resid 54 and name HN ) -7.326 2.0
( resid 54 and name HN ) -9.302 2.0
assign ( resid 500 and name OO )
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( resid 56 and name HN ) -1.824 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
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( resid 57 and name HN ) 14.592 2.0
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assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
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! ( resid 60 and name HN ) 5.472 2.0
( resid 60 and name HN ) 10.002 2.0
assign ( resid 500 and name OO )
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( resid 500 and name X )
( resid 500 and name Y )
( resid 60 and name C )
( resid 61 and name HN ) -9.090 2.0
assign ( resid 500 and name OO )
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( resid 500 and name X )
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( resid 62 and name HN ) 10.914 2.0
assign ( resid 500 and name OO )
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( resid 500 and name X )
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( resid 63 and name HN ) 1.794 2.0
assign ( resid 500 and name OO )
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( resid 500 and name X )
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assign ( resid 500 and name OO )
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( resid 67 and name HN ) -10.944 2.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
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( resid 68 and name HN ) 10.944 2.0
assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 75 and name C )
! ( resid 76 and name HN ) 1.824 2.0
( resid 76 and name HN ) 5.545 2.0
assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
( resid 500 and name Z )
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assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 78 and name C )
! ( resid 79 and name HN ) -1.854 2.0
( resid 79 and name HN ) -3.101 2.0
!! Updated list 240903 after SPARKY analysis
assign ( resid 500 and name OO )
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! ( resid 14 and name CA ) -5.842 1.0
( resid 14 and name CA ) -7.450 1.0
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( resid 15 and name CA ) 9.219 1.0
assign ( resid 500 and name OO )
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! ( resid 17 and name CA ) -7.504 1.0
( resid 17 and name CA ) -4.234 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
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! ( resid 18 and name CA ) 1.930 1.0
( resid 18 and name CA ) 4.824 1.0
assign ( resid 500 and name OO )
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( resid 500 and name X )
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! ( resid 19 and name CA ) -8.469 1.0
( resid 19 and name CA ) -6.700 1.0
assign ( resid 500 and name OO )
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( resid 20 and name CA ) 2.948 1.0
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( resid 500 and name Z )
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( resid 22 and name CA ) -4.234 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 23 and name CA ) 17.259 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
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! ( resid 24 and name CA ) -15.598 1.0
( resid 24 and name CA ) -10.559 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 25 and name C )
! ( resid 25 and name CA ) 3.270 1.0
( resid 25 and name CA ) 5.146 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
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( resid 27 and name CA ) 16.294 1.0
assign ( resid 500 and name OO )
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( resid 28 and name CA ) -4.234 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 500 and name Y )
( resid 29 and name C )
( resid 29 and name CA ) 5.253 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 30 and name C )
! ( resid 30 and name CA ) -4.234 1.0
( resid 30 and name CA ) -5.199 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 31 and name C )
! ( resid 31 and name CA ) 12.006 1.0
( resid 31 and name CA ) 11.095 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 34 and name C )
( resid 34 and name CA ) 7.129 1.0
assign ( resid 500 and name OO )
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( resid 35 and name CA ) -6.539 1.0
assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
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( resid 37 and name CA ) 12.650 1.0
assign ( resid 500 and name OO )
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( resid 38 and name CA ) -10.452 1.0
assign ( resid 500 and name OO )
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( resid 40 and name CA ) -4.556 1.0
assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
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( resid 42 and name CA ) 0.322 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 43 and name C )
! ( resid 43 and name CA ) 15.651 1.0
( resid 43 and name CA ) 14.204 1.0
assign ( resid 500 and name OO )
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( resid 45 and name CA ) -15.276 1.0
assign ( resid 500 and name OO )
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( resid 48 and name CA ) 2.626 1.0
assign ( resid 500 and name OO )
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( resid 49 and name CA ) 7.182 1.0
assign ( resid 500 and name OO )
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! ( resid 50 and name CA ) -3.216 1.0
( resid 50 and name CA ) -4.395 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
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( resid 51 and name C )
( resid 51 and name CA ) 8.790 1.0
assign ( resid 500 and name OO )
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( resid 52 and name CA ) -11.738 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 53 and name C )
( resid 53 and name CA ) 14.365 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
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assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
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( resid 56 and name CA ) -1.930 1.0
assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
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( resid 60 and name CA ) 9.487 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
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( resid 61 and name C )
! ( resid 61 and name CA ) -2.894 1.0
( resid 61 and name CA ) -1.286 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
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( resid 62 and name CA ) -17.527 1.0
assign ( resid 500 and name OO )
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( resid 64 and name CA ) -16.294 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 67 and name C )
( resid 67 and name CA ) 9.112 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 68 and name CA ) -17.902 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 69 and name CA ) 4.556 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 72 and name C )
! ( resid 72 and name CA ) 5.521 1.0
( resid 72 and name CA ) 7.826 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 73 and name C )
! ( resid 73 and name CA ) 1.286 1.0
( resid 73 and name CA ) 2.626 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
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( resid 74 and name CA ) 4.878 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
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! ( resid 75 and name CA ) -0.268 1.0
( resid 75 and name CA ) -7.450 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
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( resid 76 and name C )
( resid 76 and name CA ) 9.755 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 77 and name CA ) 4.556 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 78 and name CA ) -1.286 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 14 and name CA )
( resid 14 and name HA ) -2.1648 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 15 and name HA ) -1.8912 1.0
assign ( resid 500 and name OO )
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( resid 16 and name HA ) -9.3552 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 17 and name HA ) 0.7008 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
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( resid 18 and name HA ) 1.0464 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 19 and name HA ) -5.3232 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 500 and name Y )
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( resid 20 and name HA ) 5.9472 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 22 and name HA ) -3.8736 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 23 and name HA ) -17.7792 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
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( resid 24 and name HA ) 2.2224 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
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( resid 25 and name HA ) 2.3952 1.0
assign ( resid 500 and name OO )
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( resid 500 and name X )
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( resid 27 and name HA ) 2.1840 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
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( resid 29 and name CA )
( resid 29 and name HA ) 8.0928 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 30 and name CA )
( resid 30 and name HA ) -16.6272 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 31 and name CA )
( resid 31 and name HA ) -1.4256 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 33 and name HA ) -4.1424 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 34 and name HA ) -0.7680 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 35 and name HA ) 2.6736 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
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( resid 36 and name HA ) 9.0528 1.0
assign ( resid 500 and name OO )
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( resid 37 and name HA ) 1.6176 1.0
assign ( resid 500 and name OO )
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( resid 38 and name HA ) 1.1712 1.0
assign ( resid 500 and name OO )
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( resid 39 and name HA ) 1.2768 1.0
assign ( resid 500 and name OO )
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( resid 40 and name HA ) -12.5520 1.0
assign ( resid 500 and name OO )
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( resid 41 and name HA ) 7.1424 1.0
assign ( resid 500 and name OO )
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( resid 42 and name CA )
( resid 42 and name HA ) 4.1232 1.0
assign ( resid 500 and name OO )
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( resid 43 and name CA )
( resid 43 and name HA ) -11.1744 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 45 and name CA )
( resid 45 and name HA ) 2.1216 1.0
assign ( resid 500 and name OO )
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( resid 46 and name HA ) 4.1568 1.0
assign ( resid 500 and name OO )
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( resid 47 and name HA ) 3.3504 1.0
assign ( resid 500 and name OO )
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( resid 48 and name CA )
( resid 48 and name HA ) 4.3872 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 50 and name CA )
( resid 50 and name HA ) -2.6256 1.0
assign ( resid 500 and name OO )
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( resid 51 and name CA )
( resid 51 and name HA ) 4.2576 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 52 and name CA )
( resid 52 and name HA ) -2.8464 1.0
assign ( resid 500 and name OO )
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( resid 53 and name CA )
( resid 53 and name HA ) -0.2592 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 54 and name HA ) -10.5744 1.0
assign ( resid 500 and name OO )
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( resid 55 and name HA ) 0.9312 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 56 and name HA ) 3.7632 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 57 and name HA ) 6.6960 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
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( resid 59 and name CA )
( resid 59 and name HA ) -0.3552 1.0
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( resid 500 and name Z )
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( resid 60 and name HA ) 6.0048 1.0
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( resid 500 and name Z )
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( resid 61 and name CA )
( resid 61 and name HA ) -13.6464 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 63 and name CA )
( resid 63 and name HA ) 0.2016 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 64 and name CA )
( resid 64 and name HA ) -2.0304 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 66 and name CA )
( resid 66 and name HA ) -15.0096 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 67 and name CA )
( resid 67 and name HA ) -12.1776 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 68 and name CA )
( resid 68 and name HA ) -4.1616 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 69 and name CA )
( resid 69 and name HA ) -3.8304 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 70 and name CA )
( resid 70 and name HA ) -10.0992 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 71 and name CA )
( resid 71 and name HA ) 1.8336 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 72 and name CA )
( resid 72 and name HA ) 4.8480 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 73 and name CA )
( resid 73 and name HA ) -15.3024 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 74 and name CA )
( resid 74 and name HA ) 6.6720 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 75 and name CA )
( resid 75 and name HA ) 0.4224 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 76 and name CA )
( resid 76 and name HA ) 0.3312 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 77 and name CA )
( resid 77 and name HA ) -11.3760 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 78 and name CA )
( resid 78 and name HA ) 1.0944 1.0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 79 and name CA )
( resid 79 and name HA ) 0.1200 1.0
Contact the webmaster for help, if required. Friday, May 10, 2024 7:20:34 AM GMT (wattos1)