NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
14310 | 1wje | cing | 1-original | 6 | XPLOR/CNS | chemical shift |
!D. 13CALPHA and 13CBETA SHIFTS !! L2 assign (resid 1 and name c and segid A) (resid 2 and name n and segid A) (resid 2 and name ca and segid A) (resid 2 and name c and segid A) (resid 3 and name n and segid A) 55.77 42.19 !! D3 assign (resid 2 and name c and segid A) (resid 3 and name n and segid A) (resid 3 and name ca and segid A) (resid 3 and name c and segid A) (resid 4 and name n and segid A) 55.88 40.69 !! G4 assign (resid 3 and name c and segid A) (resid 4 and name n and segid A) (resid 4 and name ca and segid A) (resid 4 and name c and segid A) (resid 5 and name n and segid A) 46.88 0.000 !! I5 assign (resid 4 and name c and segid A) (resid 5 and name n and segid A) (resid 5 and name ca and segid A) (resid 5 and name c and segid A) (resid 6 and name n and segid A) 65.12 38.06 !! D6 assign (resid 5 and name c and segid A) (resid 6 and name n and segid A) (resid 6 and name ca and segid A) (resid 6 and name c and segid A) (resid 7 and name n and segid A) 56.86 39.43 !! K7 assign (resid 6 and name c and segid A) (resid 7 and name n and segid A) (resid 7 and name ca and segid A) (resid 7 and name c and segid A) (resid 8 and name n and segid A) 58.62 32.36 !! A8 assign (resid 7 and name c and segid A) (resid 8 and name n and segid A) (resid 8 and name ca and segid A) (resid 8 and name c and segid A) (resid 9 and name n and segid A) 55.29 18.27 !! Q9 assign (resid 8 and name c and segid A) (resid 9 and name n and segid A) (resid 9 and name ca and segid A) (resid 9 and name c and segid A) (resid 10 and name n and segid A) 59.49 29.04 !! E10 assign (resid 9 and name c and segid A) (resid 10 and name n and segid A) (resid 10 and name ca and segid A) (resid 10 and name c and segid A) (resid 11 and name n and segid A) 59.03 29.01 !! E11 assign (resid 10 and name c and segid A) (resid 11 and name n and segid A) (resid 11 and name ca and segid A) (resid 11 and name c and segid A) (resid 12 and name n and segid A) 55.34 29.20 !! C12 assign (resid 11 and name c and segid A) (resid 12 and name n and segid A) (resid 12 and name ca and segid A) (resid 12 and name c and segid A) (resid 13 and name n and segid A) 60.25 40.61 !! E13 assign (resid 12 and name c and segid A) (resid 13 and name n and segid A) (resid 13 and name ca and segid A) (resid 13 and name c and segid A) (resid 14 and name n and segid A) 60.00 28.31 !! K14 assign (resid 13 and name c and segid A) (resid 14 and name n and segid A) (resid 14 and name ca and segid A) (resid 14 and name c and segid A) (resid 15 and name n and segid A) 58.02 32.05 !! Y15 assign (resid 14 and name c and segid A) (resid 15 and name n and segid A) (resid 15 and name ca and segid A) (resid 15 and name c and segid A) (resid 16 and name n and segid A) 60.08 38.96 !! H16 assign (resid 15 and name c and segid A) (resid 16 and name n and segid A) (resid 16 and name ca and segid A) (resid 16 and name c and segid A) (resid 17 and name n and segid A) 57.67 26.90 !! S17 assign (resid 16 and name c and segid A) (resid 17 and name n and segid A) (resid 17 and name ca and segid A) (resid 17 and name c and segid A) (resid 18 and name n and segid A) 59.49 62.88 !! N18 assign (resid 17 and name c and segid A) (resid 18 and name n and segid A) (resid 18 and name ca and segid A) (resid 18 and name c and segid A) (resid 19 and name n and segid A) 52.01 37.08 !! W19 assign (resid 18 and name c and segid A) (resid 19 and name n and segid A) (resid 19 and name ca and segid A) (resid 19 and name c and segid A) (resid 20 and name n and segid A) 58.24 28.27 !! R20 assign (resid 19 and name c and segid A) (resid 20 and name n and segid A) (resid 20 and name ca and segid A) (resid 20 and name c and segid A) (resid 21 and name n and segid A) 60.20 29.17 !! A21 assign (resid 20 and name c and segid A) (resid 21 and name n and segid A) (resid 21 and name ca and segid A) (resid 21 and name c and segid A) (resid 22 and name n and segid A) 54.27 18.35 !! M22 assign (resid 21 and name c and segid A) (resid 22 and name n and segid A) (resid 22 and name ca and segid A) (resid 22 and name c and segid A) (resid 23 and name n and segid A) 59.63 33.95 !! A23 assign (resid 22 and name c and segid A) (resid 23 and name n and segid A) (resid 23 and name ca and segid A) (resid 23 and name c and segid A) (resid 24 and name n and segid A) 55.75 17.45 !! S24 assign (resid 23 and name c and segid A) (resid 24 and name n and segid A) (resid 24 and name ca and segid A) (resid 24 and name c and segid A) (resid 25 and name n and segid A) 60.99 63.20 !! D25 assign (resid 24 and name c and segid A) (resid 25 and name n and segid A) (resid 25 and name ca and segid A) (resid 25 and name c and segid A) (resid 26 and name n and segid A) 57.05 39.78 !! F26 assign (resid 25 and name c and segid A) (resid 26 and name n and segid A) (resid 26 and name ca and segid A) (resid 26 and name c and segid A) (resid 27 and name n and segid A) 57.91 39.52 !! N27 assign (resid 26 and name c and segid A) (resid 27 and name n and segid A) (resid 27 and name ca and segid A) (resid 27 and name c and segid A) (resid 28 and name n and segid A) 54.36 37.18 !! L28 assign (resid 27 and name c and segid A) (resid 28 and name n and segid A) (resid 28 and name ca and segid A) (resid 28 and name c and segid A) (resid 29 and name n and segid A) 51.24 44.83 !! P30 assign (resid 29 and name c and segid A) (resid 30 and name n and segid A) (resid 30 and name ca and segid A) (resid 30 and name c and segid A) (resid 31 and name n and segid A) 66.74 32.42 !! V31 assign (resid 30 and name c and segid A) (resid 31 and name n and segid A) (resid 31 and name ca and segid A) (resid 31 and name c and segid A) (resid 32 and name n and segid A) 65.60 31.42 !! V32 assign (resid 31 and name c and segid A) (resid 32 and name n and segid A) (resid 32 and name ca and segid A) (resid 32 and name c and segid A) (resid 33 and name n and segid A) 65.38 31.89 !! A33 assign (resid 32 and name c and segid A) (resid 33 and name n and segid A) (resid 33 and name ca and segid A) (resid 33 and name c and segid A) (resid 34 and name n and segid A) 55.44 19.38 !! N34 assign (resid 33 and name c and segid A) (resid 34 and name n and segid A) (resid 34 and name ca and segid A) (resid 34 and name c and segid A) (resid 35 and name n and segid A) 60.61 32.70 !! E35 assign (resid 34 and name c and segid A) (resid 35 and name n and segid A) (resid 35 and name ca and segid A) (resid 35 and name c and segid A) (resid 36 and name n and segid A) 58.82 28.25 !! I36 assign (resid 35 and name c and segid A) (resid 36 and name n and segid A) (resid 36 and name ca and segid A) (resid 36 and name c and segid A) (resid 37 and name n and segid A) 65.38 37.64 !! V37 assign (resid 36 and name c and segid A) (resid 37 and name n and segid A) (resid 37 and name ca and segid A) (resid 37 and name c and segid A) (resid 38 and name n and segid A) 66.83 31.76 !! A38 assign (resid 37 and name c and segid A) (resid 38 and name n and segid A) (resid 38 and name ca and segid A) (resid 38 and name c and segid A) (resid 39 and name n and segid A) 54.92 18.46 !! S39 assign (resid 38 and name c and segid A) (resid 39 and name n and segid A) (resid 39 and name ca and segid A) (resid 39 and name c and segid A) (resid 40 and name n and segid A) 58.61 64.21 !! D41 assign (resid 40 and name c and segid A) (resid 41 and name n and segid A) (resid 41 and name ca and segid A) (resid 41 and name c and segid A) (resid 42 and name n and segid A) 55.09 39.69 !! K42 assign (resid 41 and name c and segid A) (resid 42 and name n and segid A) (resid 42 and name ca and segid A) (resid 42 and name c and segid A) (resid 43 and name n and segid A) 56.93 32.97 !! Q44 assign (resid 43 and name c and segid A) (resid 44 and name n and segid A) (resid 44 and name ca and segid A) (resid 44 and name c and segid A) (resid 45 and name n and segid A) 56.07 29.36 !! L45 assign (resid 44 and name c and segid A) (resid 45 and name n and segid A) (resid 45 and name ca and segid A) (resid 45 and name c and segid A) (resid 46 and name n and segid A) 55.43 42.28 !! K46 assign (resid 45 and name c and segid A) (resid 46 and name n and segid A) (resid 46 and name ca and segid A) (resid 46 and name c and segid A) (resid 47 and name n and segid A) 56.67 33.02 !! G47 assign (resid 46 and name c and segid A) (resid 47 and name n and segid A) (resid 47 and name ca and segid A) (resid 47 and name c and segid A) (resid 48 and name n and segid A) 45.63 0.000 !! E48 assign (resid 47 and name c and segid A) (resid 48 and name n and segid A) (resid 48 and name ca and segid A) (resid 48 and name c and segid A) (resid 49 and name n and segid A) 56.44 29.82 !! A49 assign (resid 48 and name c and segid A) (resid 49 and name n and segid A) (resid 49 and name ca and segid A) (resid 49 and name c and segid A) (resid 50 and name n and segid A) 52.75 19.25 !! M50 assign (resid 49 and name c and segid A) (resid 50 and name n and segid A) (resid 50 and name ca and segid A) (resid 50 and name c and segid A) (resid 51 and name n and segid A) 55.67 32.74 !! H51 assign (resid 50 and name c and segid A) (resid 51 and name n and segid A) (resid 51 and name ca and segid A) (resid 51 and name c and segid A) (resid 52 and name n and segid A) 54.46 29.11 !! G52 assign (resid 51 and name c and segid A) (resid 52 and name n and segid A) (resid 52 and name ca and segid A) (resid 52 and name c and segid A) (resid 53 and name n and segid A) 45.39 0.00 !! Q53 assign (resid 52 and name c and segid A) (resid 53 and name n and segid A) (resid 53 and name ca and segid A) (resid 53 and name c and segid A) (resid 54 and name n and segid A) 55.88 29.71 !! V54 assign (resid 53 and name c and segid A) (resid 54 and name n and segid A) (resid 54 and name ca and segid A) (resid 54 and name c and segid A) (resid 55 and name n and segid A) 62.25 33.05 !! L2 assign (resid 1 and name c and segid B) (resid 2 and name n and segid B) (resid 2 and name ca and segid B) (resid 2 and name c and segid B) (resid 3 and name n and segid B) 55.77 42.19 !! D3 assign (resid 2 and name c and segid B) (resid 3 and name n and segid B) (resid 3 and name ca and segid B) (resid 3 and name c and segid B) (resid 4 and name n and segid B) 55.88 40.69 !! G4 assign (resid 3 and name c and segid B) (resid 4 and name n and segid B) (resid 4 and name ca and segid B) (resid 4 and name c and segid B) (resid 5 and name n and segid B) 46.88 0.000 !! I5 assign (resid 4 and name c and segid B) (resid 5 and name n and segid B) (resid 5 and name ca and segid B) (resid 5 and name c and segid B) (resid 6 and name n and segid B) 65.12 38.06 !! D6 assign (resid 5 and name c and segid B) (resid 6 and name n and segid B) (resid 6 and name ca and segid B) (resid 6 and name c and segid B) (resid 7 and name n and segid B) 56.86 39.43 !! K7 assign (resid 6 and name c and segid B) (resid 7 and name n and segid B) (resid 7 and name ca and segid B) (resid 7 and name c and segid B) (resid 8 and name n and segid B) 58.62 32.36 !! A8 assign (resid 7 and name c and segid B) (resid 8 and name n and segid B) (resid 8 and name ca and segid B) (resid 8 and name c and segid B) (resid 9 and name n and segid B) 55.29 18.27 !! Q9 assign (resid 8 and name c and segid B) (resid 9 and name n and segid B) (resid 9 and name ca and segid B) (resid 9 and name c and segid B) (resid 10 and name n and segid B) 59.49 29.04 !! E10 assign (resid 9 and name c and segid B) (resid 10 and name n and segid B) (resid 10 and name ca and segid B) (resid 10 and name c and segid B) (resid 11 and name n and segid B) 59.03 29.01 !! E11 assign (resid 10 and name c and segid B) (resid 11 and name n and segid B) (resid 11 and name ca and segid B) (resid 11 and name c and segid B) (resid 12 and name n and segid B) 55.34 29.20 !! C12 assign (resid 11 and name c and segid B) (resid 12 and name n and segid B) (resid 12 and name ca and segid B) (resid 12 and name c and segid B) (resid 13 and name n and segid B) 60.25 40.61 !! E13 assign (resid 12 and name c and segid B) (resid 13 and name n and segid B) (resid 13 and name ca and segid B) (resid 13 and name c and segid B) (resid 14 and name n and segid B) 60.00 28.31 !! K14 assign (resid 13 and name c and segid B) (resid 14 and name n and segid B) (resid 14 and name ca and segid B) (resid 14 and name c and segid B) (resid 15 and name n and segid B) 58.02 32.05 !! Y15 assign (resid 14 and name c and segid B) (resid 15 and name n and segid B) (resid 15 and name ca and segid B) (resid 15 and name c and segid B) (resid 16 and name n and segid B) 60.08 38.96 !! H16 assign (resid 15 and name c and segid B) (resid 16 and name n and segid B) (resid 16 and name ca and segid B) (resid 16 and name c and segid B) (resid 17 and name n and segid B) 57.67 26.90 !! S17 assign (resid 16 and name c and segid B) (resid 17 and name n and segid B) (resid 17 and name ca and segid B) (resid 17 and name c and segid B) (resid 18 and name n and segid B) 59.49 62.88 !! N18 assign (resid 17 and name c and segid B) (resid 18 and name n and segid B) (resid 18 and name ca and segid B) (resid 18 and name c and segid B) (resid 19 and name n and segid B) 52.01 37.08 !! W19 assign (resid 18 and name c and segid B) (resid 19 and name n and segid B) (resid 19 and name ca and segid B) (resid 19 and name c and segid B) (resid 20 and name n and segid B) 58.24 28.27 !! R20 assign (resid 19 and name c and segid B) (resid 20 and name n and segid B) (resid 20 and name ca and segid B) (resid 20 and name c and segid B) (resid 21 and name n and segid B) 60.20 29.17 !! A21 assign (resid 20 and name c and segid B) (resid 21 and name n and segid B) (resid 21 and name ca and segid B) (resid 21 and name c and segid B) (resid 22 and name n and segid B) 54.27 18.35 !! M22 assign (resid 21 and name c and segid B) (resid 22 and name n and segid B) (resid 22 and name ca and segid B) (resid 22 and name c and segid B) (resid 23 and name n and segid B) 59.63 33.95 !! A23 assign (resid 22 and name c and segid B) (resid 23 and name n and segid B) (resid 23 and name ca and segid B) (resid 23 and name c and segid B) (resid 24 and name n and segid B) 55.75 17.45 !! S24 assign (resid 23 and name c and segid B) (resid 24 and name n and segid B) (resid 24 and name ca and segid B) (resid 24 and name c and segid B) (resid 25 and name n and segid B) 60.99 63.20 !! D25 assign (resid 24 and name c and segid B) (resid 25 and name n and segid B) (resid 25 and name ca and segid B) (resid 25 and name c and segid B) (resid 26 and name n and segid B) 57.05 39.78 !! F26 assign (resid 25 and name c and segid B) (resid 26 and name n and segid B) (resid 26 and name ca and segid B) (resid 26 and name c and segid B) (resid 27 and name n and segid B) 57.91 39.52 !! N27 assign (resid 26 and name c and segid B) (resid 27 and name n and segid B) (resid 27 and name ca and segid B) (resid 27 and name c and segid B) (resid 28 and name n and segid B) 54.36 37.18 !! L28 assign (resid 27 and name c and segid B) (resid 28 and name n and segid B) (resid 28 and name ca and segid B) (resid 28 and name c and segid B) (resid 29 and name n and segid B) 51.24 44.83 !! P30 assign (resid 29 and name c and segid B) (resid 30 and name n and segid B) (resid 30 and name ca and segid B) (resid 30 and name c and segid B) (resid 31 and name n and segid B) 66.74 32.42 !! V31 assign (resid 30 and name c and segid B) (resid 31 and name n and segid B) (resid 31 and name ca and segid B) (resid 31 and name c and segid B) (resid 32 and name n and segid B) 65.60 31.42 !! V32 assign (resid 31 and name c and segid B) (resid 32 and name n and segid B) (resid 32 and name ca and segid B) (resid 32 and name c and segid B) (resid 33 and name n and segid B) 65.38 31.89 !! A33 assign (resid 32 and name c and segid B) (resid 33 and name n and segid B) (resid 33 and name ca and segid B) (resid 33 and name c and segid B) (resid 34 and name n and segid B) 55.44 19.38 !! N34 assign (resid 33 and name c and segid B) (resid 34 and name n and segid B) (resid 34 and name ca and segid B) (resid 34 and name c and segid B) (resid 35 and name n and segid B) 60.61 32.70 !! E35 assign (resid 34 and name c and segid B) (resid 35 and name n and segid B) (resid 35 and name ca and segid B) (resid 35 and name c and segid B) (resid 36 and name n and segid B) 58.82 28.25 !! I36 assign (resid 35 and name c and segid B) (resid 36 and name n and segid B) (resid 36 and name ca and segid B) (resid 36 and name c and segid B) (resid 37 and name n and segid B) 65.38 37.64 !! V37 assign (resid 36 and name c and segid B) (resid 37 and name n and segid B) (resid 37 and name ca and segid B) (resid 37 and name c and segid B) (resid 38 and name n and segid B) 66.83 31.76 !! A38 assign (resid 37 and name c and segid B) (resid 38 and name n and segid B) (resid 38 and name ca and segid B) (resid 38 and name c and segid B) (resid 39 and name n and segid B) 54.92 18.46 !! S39 assign (resid 38 and name c and segid B) (resid 39 and name n and segid B) (resid 39 and name ca and segid B) (resid 39 and name c and segid B) (resid 40 and name n and segid B) 58.61 64.21 !! D41 assign (resid 40 and name c and segid B) (resid 41 and name n and segid B) (resid 41 and name ca and segid B) (resid 41 and name c and segid B) (resid 42 and name n and segid B) 55.09 39.69 !! K42 assign (resid 41 and name c and segid B) (resid 42 and name n and segid B) (resid 42 and name ca and segid B) (resid 42 and name c and segid B) (resid 43 and name n and segid B) 56.93 32.97 !! Q44 assign (resid 43 and name c and segid B) (resid 44 and name n and segid B) (resid 44 and name ca and segid B) (resid 44 and name c and segid B) (resid 45 and name n and segid B) 56.07 29.36 !! L45 assign (resid 44 and name c and segid B) (resid 45 and name n and segid B) (resid 45 and name ca and segid B) (resid 45 and name c and segid B) (resid 46 and name n and segid B) 55.43 42.28 !! K46 assign (resid 45 and name c and segid B) (resid 46 and name n and segid B) (resid 46 and name ca and segid B) (resid 46 and name c and segid B) (resid 47 and name n and segid B) 56.67 33.02 !! G47 assign (resid 46 and name c and segid B) (resid 47 and name n and segid B) (resid 47 and name ca and segid B) (resid 47 and name c and segid B) (resid 48 and name n and segid B) 45.63 0.000 !! E48 assign (resid 47 and name c and segid B) (resid 48 and name n and segid B) (resid 48 and name ca and segid B) (resid 48 and name c and segid B) (resid 49 and name n and segid B) 56.44 29.82 !! A49 assign (resid 48 and name c and segid B) (resid 49 and name n and segid B) (resid 49 and name ca and segid B) (resid 49 and name c and segid B) (resid 50 and name n and segid B) 52.75 19.25 !! M50 assign (resid 49 and name c and segid B) (resid 50 and name n and segid B) (resid 50 and name ca and segid B) (resid 50 and name c and segid B) (resid 51 and name n and segid B) 55.67 32.74 !! H51 assign (resid 50 and name c and segid B) (resid 51 and name n and segid B) (resid 51 and name ca and segid B) (resid 51 and name c and segid B) (resid 52 and name n and segid B) 54.46 29.11 !! G52 assign (resid 51 and name c and segid B) (resid 52 and name n and segid B) (resid 52 and name ca and segid B) (resid 52 and name c and segid B) (resid 53 and name n and segid B) 45.39 0.00 !! Q53 assign (resid 52 and name c and segid B) (resid 53 and name n and segid B) (resid 53 and name ca and segid B) (resid 53 and name c and segid B) (resid 54 and name n and segid B) 55.88 29.71 !! V54 assign (resid 53 and name c and segid B) (resid 54 and name n and segid B) (resid 54 and name ca and segid B) (resid 54 and name c and segid B) (resid 55 and name n and segid B) 62.25 33.05 !E. 1H, 15N and 13C ASSIGNMENTS
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