NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
14300 |
1wjd   |
cing | 1-original | 10 | XPLOR/CNS | chemical shift |
!remark Ca and Cb shifts
!! L2
!! 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) 55.77 41.21
!! 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) 46.66 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) 65.21 38.00
!! 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) 57.22 40.05
!! 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) 58.34 32.30
!! 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) 55.17 19.11
!! 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) 59.56 28.36
!! 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) 59.28 29.72
!! 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) 59.35 29.71
!! H12
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) 60.69 27.87
!! 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) 58.84 29.24
!! 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) 58.48 33.41
!! 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) 57.39 40.44
!! 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) 56.73 27.39
!! 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) 58.42 63.33
!! 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) 52.82 39.25
!! 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) 60.59 27.83
!! 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) 59.79 29.30
!! 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) 54.61 18.15
!! 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) 59.89 34.87
!! 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) 55.76 17.69
!! 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) 60.73 63.35
!! 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) 57.07 39.97
!! 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) 57.37 38.40
!! 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) 54.26 37.06
!! 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) 51.10 44.53
!! P29
assign (resid 28 and name c and segid A) (resid 29 and name n and segid A)
(resid 29 and name ca and segid A) (resid 29 and name c and segid A)
(resid 30 and name n and segid A) 61.33 30.62
!! 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) 66.66 32.25
!! 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) 65.50 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) 65.11 32.06
!! 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) 55.56 19.80
!! 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) 60.19 32.67
!! 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) 58.93 29.01
!! 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) 65.39 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) 66.59 31.60
!! 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) 54.46 18.52
!! 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) 58.85 63.91
!! 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) 57.17 40.53
!! 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) 58.71 33.49
!! 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) 56.51 28.87
!! 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) 55.87 41.94
!! 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) 56.73 32.98
!! 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) 45.64 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) 56.76 30.30
!! 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 19.08
!! 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) 55.62 32.58
!! 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 30.84
!! 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) 45.33 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) 55.79 29.50
!! 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) 62.01 33.10
!remark Ca and Cb shifts
!! 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) 55.77 41.21
!! 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) 46.66 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) 65.21 38.00
!! 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) 57.22 40.05
!! 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) 58.34 32.30
!! 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) 55.17 19.11
!! 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) 59.56 28.36
!! 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) 59.28 29.72
!! 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) 59.35 29.71
!! H12
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) 60.69 27.87
!! 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) 58.84 29.24
!! 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) 58.48 33.41
!! 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) 57.39 40.44
!! 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) 56.73 27.39
!! 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) 58.42 63.33
!! 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) 52.82 39.25
!! 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) 60.59 27.83
!! 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) 59.79 29.30
!! 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) 54.61 18.15
!! 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) 59.89 34.87
!! 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) 55.76 17.69
!! 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) 60.73 63.35
!! 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) 57.07 39.97
!! 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) 57.37 38.40
!! 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) 54.26 37.06
!! 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) 51.10 44.53
!! P29
assign (resid 28 and name c and segid B) (resid 29 and name n and segid B)
(resid 29 and name ca and segid B) (resid 29 and name c and segid B)
(resid 30 and name n and segid B) 61.33 30.62
!! 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) 66.66 32.25
!! 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) 65.50 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) 65.11 32.06
!! 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) 55.56 19.80
!! 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) 60.19 32.67
!! 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) 58.93 29.01
!! 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) 65.39 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) 66.59 31.60
!! 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) 54.46 18.52
!! 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) 58.85 63.91
!! 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) 57.17 40.53
!! 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) 58.71 33.49
!! 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) 56.51 28.87
!! 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) 55.87 41.94
!! 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) 56.73 32.98
!! 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) 45.64 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) 56.76 30.30
!! 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 19.08
!! 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) 55.62 32.58
!! 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 30.84
!! 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) 45.33 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) 55.79 29.50
!! 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) 62.01 33.10
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