NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
7312 |
1k8m   |
5078 | cing | 1-original | 3 | XPLOR/CNS | dihedral angle |
! Dihedral constraints from experimental data and TALOS
assign (resid 1 and name C) (resid 2 and name N)
(resid 2 and name CA) (resid 2 and name C) 1 80.000 40 2
assign (resid 2 and name C) (resid 3 and name N)
(resid 3 and name CA) (resid 3 and name C) 1 -121.000 40 2
assign (resid 3 and name C) (resid 4 and name N)
(resid 4 and name CA) (resid 4 and name C) 1 -120.000 20 2
assign (resid 4 and name C) (resid 5 and name N)
(resid 5 and name CA) (resid 5 and name C) 1 -120.000 20 2
assign (resid 5 and name C) (resid 6 and name N)
(resid 6 and name CA) (resid 6 and name C) 1 -120.000 20 2
assign (resid 6 and name C) (resid 7 and name N)
(resid 7 and name CA) (resid 7 and name C) 1 -120.000 20 2
assign (resid 7 and name C) (resid 8 and name N)
(resid 8 and name CA) (resid 8 and name C) 1 -87.460 40 2
assign (resid 8 and name C) (resid 9 and name N)
(resid 9 and name CA) (resid 9 and name C) 1 -81.950 40 2
assign (resid 9 and name C) (resid 10 and name N)
(resid 10 and name CA) (resid 10 and name C) 1 -101.790 40 2
assign (resid 11 and name C) (resid 12 and name N)
(resid 12 and name CA) (resid 12 and name C) 1 -106.580 40 2
assign (resid 12 and name C) (resid 13 and name N)
(resid 13 and name CA) (resid 13 and name C) 1 -112.910 40 2
assign (resid 13 and name C) (resid 14 and name N)
(resid 14 and name CA) (resid 14 and name C) 1 -71.400 40 2
assign (resid 14 and name C) (resid 15 and name N)
(resid 15 and name CA) (resid 15 and name C) 1 -166.200 40 2
assign (resid 15 and name C) (resid 16 and name N)
(resid 16 and name CA) (resid 16 and name C) 1 -93.450 40 2
assign (resid 17 and name C) (resid 18 and name N)
(resid 18 and name CA) (resid 18 and name C) 1 -120 20 2
assign (resid 18 and name C) (resid 19 and name N)
(resid 19 and name CA) (resid 19 and name C) 1 -120 20 2
assign (resid 19 and name C) (resid 20 and name N)
(resid 20 and name CA) (resid 20 and name C) 1 -120 20 2
assign (resid 20 and name C) (resid 21 and name N)
(resid 21 and name CA) (resid 21 and name C) 1 -120 40 2
assign (resid 21 and name C) (resid 22 and name N)
(resid 22 and name CA) (resid 22 and name C) 1 -120 40 2
assign (resid 22 and name C) (resid 23 and name N)
(resid 23 and name CA) (resid 23 and name C) 1 -120 20 2
assign (resid 23 and name C) (resid 24 and name N)
(resid 24 and name CA) (resid 24 and name C) 1 -120 20 2
assign (resid 24 and name C) (resid 25 and name N)
(resid 25 and name CA) (resid 25 and name C) 1 -120 20 2
assign (resid 25 and name C) (resid 26 and name N)
(resid 26 and name CA) (resid 26 and name C) 1 -134.260 40 2
assign (resid 26 and name C) (resid 27 and name N)
(resid 27 and name CA) (resid 27 and name C) 1 -108.480 40 2
assign (resid 27 and name C) (resid 28 and name N)
(resid 28 and name CA) (resid 28 and name C) 1 -57.740 40 2
assign (resid 28 and name C) (resid 29 and name N)
(resid 29 and name CA) (resid 29 and name C) 1 89.010 40 2
assign (resid 29 and name C) (resid 30 and name N)
(resid 30 and name CA) (resid 30 and name C) 1 -84.860 40 2
assign (resid 30 and name C) (resid 31 and name N)
(resid 31 and name CA) (resid 31 and name C) 1 -120 20 2
assign (resid 31 and name C) (resid 32 and name N)
(resid 32 and name CA) (resid 32 and name C) 1 -120 20 2
assign (resid 32 and name C) (resid 33 and name N)
(resid 33 and name CA) (resid 33 and name C) 1 -120 20 2
assign (resid 33 and name C) (resid 34 and name N)
(resid 34 and name CA) (resid 34 and name C) 1 -65.440 40 2
assign (resid 34 and name C) (resid 35 and name N)
(resid 35 and name CA) (resid 35 and name C) 1 -63.900 40 2
assign (resid 35 and name C) (resid 36 and name N)
(resid 36 and name CA) (resid 36 and name C) 1 -80.680 40 2
assign (resid 36 and name C) (resid 37 and name N)
(resid 37 and name CA) (resid 37 and name C) 1 -73.920 40 2
assign (resid 37 and name C) (resid 38 and name N)
(resid 38 and name CA) (resid 38 and name C) 1 -106.710 40 2
assign (resid 38 and name C) (resid 39 and name N)
(resid 39 and name CA) (resid 39 and name C) 1 -120 20 2
assign (resid 39 and name C) (resid 40 and name N)
(resid 40 and name CA) (resid 40 and name C) 1 -120 20 2
assign (resid 40 and name C) (resid 41 and name N)
(resid 41 and name CA) (resid 41 and name C) 1 -120 20 2
assign (resid 41 and name C) (resid 42 and name N)
(resid 42 and name CA) (resid 42 and name C) 1 -120 20 2
assign (resid 42 and name C) (resid 43 and name N)
(resid 43 and name CA) (resid 43 and name C) 1 -120 20 2
assign (resid 43 and name C) (resid 44 and name N)
(resid 44 and name CA) (resid 44 and name C) 1 -69.260 40 2
assign (resid 44 and name C) (resid 45 and name N)
(resid 45 and name CA) (resid 45 and name C) 1 -92.970 40 2
assign (resid 45 and name C) (resid 46 and name N)
(resid 46 and name CA) (resid 46 and name C) 1 -108.680 40 2
assign (resid 46 and name C) (resid 47 and name N)
(resid 47 and name CA) (resid 47 and name C) 1 -120 20 2
assign (resid 47 and name C) (resid 48 and name N)
(resid 48 and name CA) (resid 48 and name C) 1 -120 20 2
assign (resid 48 and name C) (resid 49 and name N)
(resid 49 and name CA) (resid 49 and name C) 1 -120 20 2
assign (resid 49 and name C) (resid 50 and name N)
(resid 50 and name CA) (resid 50 and name C) 1 -120 20 2
assign (resid 50 and name C) (resid 51 and name N)
(resid 51 and name CA) (resid 51 and name C) 1 -92.080 40 2
assign (resid 51 and name C) (resid 52 and name N)
(resid 52 and name CA) (resid 52 and name C) 1 -80.870 40 2
assign (resid 52 and name C) (resid 53 and name N)
(resid 53 and name CA) (resid 53 and name C) 1 85.380 40 2
assign (resid 53 and name C) (resid 54 and name N)
(resid 54 and name CA) (resid 54 and name C) 1 -134.770 40 2
assign (resid 54 and name C) (resid 55 and name N)
(resid 55 and name CA) (resid 55 and name C) 1 -120 20 2
assign (resid 55 and name C) (resid 56 and name N)
(resid 56 and name CA) (resid 56 and name C) 1 -120 20 2
assign (resid 56 and name C) (resid 57 and name N)
(resid 57 and name CA) (resid 57 and name C) 1 -120 20 2
assign (resid 57 and name C) (resid 58 and name N)
(resid 58 and name CA) (resid 58 and name C) 1 -120 20 2
assign (resid 58 and name C) (resid 59 and name N)
(resid 59 and name CA) (resid 59 and name C) 1 -120 20 2
assign (resid 59 and name C) (resid 60 and name N)
(resid 60 and name CA) (resid 60 and name C) 1 -122.870 40 2
assign (resid 60 and name C) (resid 61 and name N)
(resid 61 and name CA) (resid 61 and name C) 1 -97.010 40 2
assign (resid 61 and name C) (resid 62 and name N)
(resid 62 and name CA) (resid 62 and name C) 1 -79.460 40 2
assign (resid 62 and name C) (resid 63 and name N)
(resid 63 and name CA) (resid 63 and name C) 1 -122.620 40 2
assign (resid 64 and name C) (resid 65 and name N)
(resid 65 and name CA) (resid 65 and name C) 1 -63.370 40 2
assign (resid 65 and name C) (resid 66 and name N)
(resid 66 and name CA) (resid 66 and name C) 1 -66.910 40 2
assign (resid 66 and name C) (resid 67 and name N)
(resid 67 and name CA) (resid 67 and name C) 1 -109.530 40 2
assign (resid 67 and name C) (resid 68 and name N)
(resid 68 and name CA) (resid 68 and name C) 1 -120 20 2
assign (resid 68 and name C) (resid 69 and name N)
(resid 69 and name CA) (resid 69 and name C) 1 -120 20 2
assign (resid 69 and name C) (resid 70 and name N)
(resid 70 and name CA) (resid 70 and name C) 1 -92.930 40 2
assign (resid 70 and name C) (resid 71 and name N)
(resid 71 and name CA) (resid 71 and name C) 1 -65.470 40 2
assign (resid 71 and name C) (resid 72 and name N)
(resid 72 and name CA) (resid 72 and name C) 1 81.090 40 2
assign (resid 72 and name C) (resid 73 and name N)
(resid 73 and name CA) (resid 73 and name C) 1 -116.570 40 2
assign (resid 73 and name C) (resid 74 and name N)
(resid 74 and name CA) (resid 74 and name C) 1 -82.270 40 2
assign (resid 74 and name C) (resid 75 and name N)
(resid 75 and name CA) (resid 75 and name C) 1 -102.210 40 2
assign (resid 75 and name C) (resid 76 and name N)
(resid 76 and name CA) (resid 76 and name C) 1 -120 20 2
assign (resid 76 and name C) (resid 77 and name N)
(resid 77 and name CA) (resid 77 and name C) 1 -120 20 2
assign (resid 77 and name C) (resid 78 and name N)
(resid 78 and name CA) (resid 78 and name C) 1 -120 20 2
assign (resid 78 and name C) (resid 79 and name N)
(resid 79 and name CA) (resid 79 and name C) 1 -120 20 2
assign (resid 79 and name C) (resid 80 and name N)
(resid 80 and name CA) (resid 80 and name C) 1 -120 20 2
assign (resid 80 and name C) (resid 81 and name N)
(resid 81 and name CA) (resid 81 and name C) 1 -98.590 40 2
assign (resid 81 and name C) (resid 82 and name N)
(resid 82 and name CA) (resid 82 and name C) 1 -78.120 40 2
assign (resid 82 and name C) (resid 83 and name N)
(resid 83 and name CA) (resid 83 and name C) 1 -83.260 40 2
assign (resid 83 and name C) (resid 84 and name N)
(resid 84 and name CA) (resid 84 and name C) 1 -58.250 40 2
assign (resid 84 and name C) (resid 85 and name N)
(resid 85 and name CA) (resid 85 and name C) 1 -65.240 40 2
assign (resid 85 and name C) (resid 86 and name N)
(resid 86 and name CA) (resid 86 and name C) 1 -95.590 40 2
!psi angles from TALOS
assign (resid 2 and name N) (resid 2 and name CA)
(resid 2 and name C) (resid 3 and name N) 1 6.000 13.000 2
assign (resid 3 and name N) (resid 3 and name CA)
(resid 3 and name C) (resid 4 and name N) 1 137.000 16.000 2
assign (resid 4 and name N) (resid 4 and name CA)
(resid 4 and name C) (resid 5 and name N) 1 131.000 14.000 2
assign (resid 5 and name N) (resid 5 and name CA)
(resid 5 and name C) (resid 6 and name N) 1 132.000 10.000 2
assign (resid 6 and name N) (resid 6 and name CA)
(resid 6 and name C) (resid 7 and name N) 1 129.000 16.000 2
assign (resid 7 and name N) (resid 7 and name CA)
(resid 7 and name C) (resid 8 and name N) 1 130.000 28.000 2
assign (resid 8 and name N) (resid 8 and name CA)
(resid 8 and name C) (resid 9 and name N) 1 122.980 21.270 2
assign (resid 9 and name N) (resid 9 and name CA)
(resid 9 and name C) (resid 10 and name N) 1 125.430 9.860 2
assign (resid 11 and name N) (resid 11 and name CA)
(resid 11 and name C) (resid 12 and name N) 1 -29.850 12.220 2
assign (resid 13 and name N) (resid 13 and name CA)
(resid 13 and name C) (resid 14 and name N) 1 148.590 22.240 2
assign (resid 15 and name N) (resid 15 and name CA)
(resid 15 and name C) (resid 16 and name N) 1 -2.760 100.180 2
assign (resid 17 and name N) (resid 17 and name CA)
(resid 17 and name C) (resid 18 and name N) 1 130.380 21.190 2
assign (resid 18 and name N) (resid 18 and name CA)
(resid 18 and name C) (resid 19 and name N) 1 153.920 18.830 2
assign (resid 19 and name N) (resid 19 and name CA)
(resid 19 and name C) (resid 20 and name N) 1 152.800 14.590 2
assign (resid 21 and name N) (resid 21 and name CA)
(resid 21 and name C) (resid 22 and name N) 1 123.730 13.120 2
assign (resid 22 and name N) (resid 22 and name CA)
(resid 22 and name C) (resid 23 and name N) 1 -33.060 9.370 2
assign (resid 23 and name N) (resid 23 and name CA)
(resid 23 and name C) (resid 24 and name N) 1 134.130 24.900 2
assign (resid 24 and name N) (resid 24 and name CA)
(resid 24 and name C) (resid 25 and name N) 1 133.390 17.700 2
assign (resid 26 and name N) (resid 26 and name CA)
(resid 26 and name C) (resid 27 and name N) 1 161.880 10.030 2
assign (resid 28 and name N) (resid 28 and name CA)
(resid 28 and name C) (resid 29 and name N) 1 132.950 9.700 2
assign (resid 29 and name N) (resid 29 and name CA)
(resid 29 and name C) (resid 30 and name N) 1 -10.380 10.560 2
assign (resid 30 and name N) (resid 30 and name CA)
(resid 30 and name C) (resid 31 and name N) 1 134.010 19.600 2
assign (resid 31 and name N) (resid 31 and name CA)
(resid 31 and name C) (resid 32 and name N) 1 145.220 21.120 2
assign (resid 32 and name N) (resid 32 and name CA)
(resid 32 and name C) (resid 33 and name N) 1 155.600 13.170 2
assign (resid 34 and name N) (resid 34 and name CA)
(resid 34 and name C) (resid 35 and name N) 1 -31.030 14.190 2
assign (resid 35 and name N) (resid 35 and name CA)
(resid 35 and name C) (resid 36 and name N) 1 -34.000 16.610 2
assign (resid 37 and name N) (resid 37 and name CA)
(resid 37 and name C) (resid 38 and name N) 1 134.130 25.080 2
assign (resid 39 and name N) (resid 39 and name CA)
(resid 39 and name C) (resid 40 and name N) 1 139.020 24.110 2
assign (resid 40 and name N) (resid 40 and name CA)
(resid 40 and name C) (resid 41 and name N) 1 142.840 17.070 2
assign (resid 41 and name N) (resid 41 and name CA)
(resid 41 and name C) (resid 42 and name N) 1 155.680 13.960 2
assign (resid 42 and name N) (resid 42 and name CA)
(resid 42 and name C) (resid 43 and name N) 1 133.630 14.610 2
assign (resid 43 and name N) (resid 43 and name CA)
(resid 43 and name C) (resid 44 and name N) 1 132.600 21.460 2
assign (resid 46 and name N) (resid 46 and name CA)
(resid 46 and name C) (resid 47 and name N) 1 142.150 20.510 2
assign (resid 47 and name N) (resid 47 and name CA)
(resid 47 and name C) (resid 48 and name N) 1 125.440 18.480 2
assign (resid 48 and name N) (resid 48 and name CA)
(resid 48 and name C) (resid 49 and name N) 1 132.930 20.850 2
assign (resid 49 and name N) (resid 49 and name CA)
(resid 49 and name C) (resid 50 and name N) 1 117.860 13.500 2
assign (resid 50 and name N) (resid 50 and name CA)
(resid 50 and name C) (resid 51 and name N) 1 124.830 17.670 2
assign (resid 51 and name N) (resid 51 and name CA)
(resid 51 and name C) (resid 52 and name N) 1 159.550 20.920 2
assign (resid 53 and name N) (resid 53 and name CA)
(resid 53 and name C) (resid 54 and name N) 1 -0.990 11.720 2
assign (resid 54 and name N) (resid 54 and name CA)
(resid 54 and name C) (resid 55 and name N) 1 156.110 13.790 2
assign (resid 55 and name N) (resid 55 and name CA)
(resid 55 and name C) (resid 56 and name N) 1 132.680 13.970 2
assign (resid 56 and name N) (resid 56 and name CA)
(resid 56 and name C) (resid 57 and name N) 1 143.840 19.820 2
assign (resid 57 and name N) (resid 57 and name CA)
(resid 57 and name C) (resid 58 and name N) 1 126.630 14.250 2
assign (resid 58 and name N) (resid 58 and name CA)
(resid 58 and name C) (resid 59 and name N) 1 120.680 15.340 2
assign (resid 59 and name N) (resid 59 and name CA)
(resid 59 and name C) (resid 60 and name N) 1 -12.790 31.000 2
assign (resid 61 and name N) (resid 61 and name CA)
(resid 61 and name C) (resid 62 and name N) 1 124.780 26.520 2
assign (resid 62 and name N) (resid 62 and name CA)
(resid 62 and name C) (resid 63 and name N) 1 -34.780 10.160 2
assign (resid 63 and name N) (resid 63 and name CA)
(resid 63 and name C) (resid 64 and name N) 1 142.380 8.080 2
!assign (resid 64 and name N) (resid 64 and name CA)
! (resid 64 and name C) (resid 65 and name N) 1 149.900 24.900 2
assign (resid 65 and name N) (resid 65 and name CA)
(resid 65 and name C) (resid 66 and name N) 1 -22.260 6.220 2
assign (resid 66 and name N) (resid 66 and name CA)
(resid 66 and name C) (resid 67 and name N) 1 -31.090 4.810 2
assign (resid 67 and name N) (resid 67 and name CA)
(resid 67 and name C) (resid 68 and name N) 1 141.350 24.040 2
assign (resid 68 and name N) (resid 68 and name CA)
(resid 68 and name C) (resid 69 and name N) 1 131.270 10.860 2
assign (resid 69 and name N) (resid 69 and name CA)
(resid 69 and name C) (resid 70 and name N) 1 137.070 20.300 2
assign (resid 70 and name N) (resid 70 and name CA)
(resid 70 and name C) (resid 71 and name N) 1 134.650 13.450 2
assign (resid 71 and name N) (resid 71 and name CA)
(resid 71 and name C) (resid 72 and name N) 1 129.390 9.710 2
assign (resid 72 and name N) (resid 72 and name CA)
(resid 72 and name C) (resid 73 and name N) 1 -4.070 14.730 2
assign (resid 73 and name N) (resid 73 and name CA)
(resid 73 and name C) (resid 74 and name N) 1 149.600 19.940 2
assign (resid 74 and name N) (resid 74 and name CA)
(resid 74 and name C) (resid 75 and name N) 1 143.560 20.900 2
assign (resid 75 and name N) (resid 75 and name CA)
(resid 75 and name C) (resid 76 and name N) 1 -23.330 23.360 2
assign (resid 76 and name N) (resid 76 and name CA)
(resid 76 and name C) (resid 77 and name N) 1 149.300 8.820 2
assign (resid 77 and name N) (resid 77 and name CA)
(resid 77 and name C) (resid 78 and name N) 1 139.610 19.880 2
assign (resid 78 and name N) (resid 78 and name CA)
(resid 78 and name C) (resid 79 and name N) 1 133.830 15.000 2
assign (resid 79 and name N) (resid 79 and name CA)
(resid 79 and name C) (resid 80 and name N) 1 127.980 10.630 2
assign (resid 80 and name N) (resid 80 and name CA)
(resid 80 and name C) (resid 81 and name N) 1 131.100 23.940 2
assign (resid 81 and name N) (resid 81 and name CA)
(resid 81 and name C) (resid 82 and name N) 1 137.760 15.810 2
assign (resid 82 and name N) (resid 82 and name CA)
(resid 82 and name C) (resid 83 and name N) 1 135.080 24.180 2
assign (resid 83 and name N) (resid 83 and name CA)
(resid 83 and name C) (resid 84 and name N) 1 123.930 21.190 2
assign (resid 84 and name N) (resid 84 and name CA)
(resid 84 and name C) (resid 85 and name N) 1 -33.170 9.890 2
assign (resid 85 and name N) (resid 85 and name CA)
(resid 85 and name C) (resid 86 and name N) 1 -29.610 19.330 2
assign (resid 86 and name N) (resid 86 and name CA)
(resid 86 and name C) (resid 87 and name N) 1 -6.280 21.510 2
assign (resid 54 and name N) (resid 54 and name CA)
(resid 54 and name CB) (resid 54 and name CG) 1.0 -60.0 60 2.0
assign (resid 61 and name N) (resid 61 and name CA)
(resid 61 and name CB) (resid 61 and name CG) 1.0 -60.0 60 2.0
assign (resid 63 and name N) (resid 63 and name CA)
(resid 63 and name CB) (resid 63 and name CG) 1.0 -60.0 60 2.0
assign (resid 67 and name N) (resid 67 and name CA)
(resid 67 and name CB) (resid 67 and name CG) 1.0 -60.0 60 2.0
assign (resid 70 and name N) (resid 70 and name CA)
(resid 70 and name CB) (resid 70 and name CG) 1.0 -60.0 60 2.0
assign (resid 77 and name N) (resid 77 and name CA)
(resid 77 and name CB) (resid 77 and name CG) 1.0 -60.0 60 2.0
! Adding 10 KI 1 for VAL 5,19,21,26,32,41,48,57,71,76
assign (resid 19 and name N) (resid 19 and name CA)
(resid 19 and name CB) (resid 19 and name CG1) 1.0 60.0 60 2.0
assign (resid 21 and name N) (resid 21 and name CA)
(resid 21 and name CB) (resid 21 and name CG1) 1.0 180.0 60 2.0
assign (resid 48 and name N) (resid 48 and name CA)
(resid 48 and name CB) (resid 48 and name CG1) 1.0 180.0 60 2.0
assign (resid 57 and name N) (resid 57 and name CA)
(resid 57 and name CB) (resid 57 and name CG1) 1.0 180.0 60 2.0
assign (resid 71 and name N) (resid 71 and name CA)
(resid 71 and name CB) (resid 71 and name CG1) 1.0 180.0 60 2.0
assign (resid 76 and name N) (resid 76 and name CA)
(resid 76 and name CB) (resid 76 and name CG1) 1.0 60.0 60 2.0
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