NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
15234 |
1xsa   |
6330 | cing | 1-original | 3 | XPLOR/CNS | chemical shift |
! +0.4 to Cw NOESY data for calibration CA CB SHIFTS
! 3 L
assign (resid 2 and name c ) (resid 3 and name n )
(resid 3 and name ca) (resid 3 and name c )
(resid 4 and name n ) 55.680 42.490
! 5 S +sw=63.88
assign (resid 4 and name c ) (resid 5 and name n )
(resid 5 and name ca) (resid 5 and name c )
(resid 6 and name n ) 58.590 63.880
! 6 M
assign (resid 5 and name c ) (resid 6 and name n )
(resid 6 and name ca) (resid 6 and name c )
(resid 7 and name n ) 55.560 32.880
! 7 A
assign (resid 6 and name c ) (resid 7 and name n )
(resid 7 and name ca) (resid 7 and name c )
(resid 8 and name n ) 52.410 19.550
! 8 L
assign (resid 7 and name c ) (resid 8 and name n )
(resid 8 and name ca) (resid 8 and name c )
(resid 9 and name n ) 55.260 42.670
! 9 R
assign (resid 8 and name c ) (resid 9 and name n )
(resid 9 and name ca) (resid 9 and name c )
(resid 10 and name n ) 56.050 28.710
! 10 A
assign (resid 9 and name c ) (resid 10 and name n )
(resid 10 and name ca) (resid 10 and name c )
(resid 11 and name n ) 50.430 23.090
! 11 C
assign (resid 10 and name c ) (resid 11 and name n )
(resid 11 and name ca) (resid 11 and name c )
(resid 12 and name n ) 55.920 33.420
! 13 L
assign (resid 12 and name c ) (resid 13 and name n )
(resid 13 and name ca) (resid 13 and name c )
(resid 14 and name n ) 52.960 45.570
! 14 I
assign (resid 13 and name c ) (resid 14 and name n )
(resid 14 and name ca) (resid 14 and name c )
(resid 15 and name n ) 61.660 37.770
! 15 I
assign (resid 14 and name c ) (resid 15 and name n )
(resid 15 and name ca) (resid 15 and name c )
(resid 16 and name n ) 59.450 39.040
! 16 F
assign (resid 15 and name c ) (resid 16 and name n )
(resid 16 and name ca) (resid 16 and name c )
(resid 17 and name n ) 55.680 43.760
! 17 R
assign (resid 16 and name c ) (resid 17 and name n )
(resid 17 and name ca) (resid 17 and name c )
(resid 18 and name n ) 52.780 34.150
! 18 R
assign (resid 17 and name c ) (resid 18 and name n )
(resid 18 and name ca) (resid 18 and name c )
(resid 19 and name n ) 54.660 28.160
! 19 C
assign (resid 18 and name c ) (resid 19 and name n )
(resid 19 and name ca) (resid 19 and name c )
(resid 20 and name n ) 58.440 28.050
! 20 L
assign (resid 19 and name c ) (resid 20 and name n )
(resid 20 and name ca) (resid 20 and name c )
(resid 21 and name n ) 56.150 42.040
! 21 I
assign (resid 20 and name c ) (resid 21 and name n )
(resid 21 and name ca) (resid 21 and name c )
(resid 22 and name n ) 58.350 38.770
22 P
assign (resid 21 and name c ) (resid 22 and name n )
(resid 22 and name ca) (resid 22 and name c )
(resid 23 and name n ) 63.650 32.150
! 23 K
assign (resid 22 and name c ) (resid 23 and name n )
(resid 23 and name ca) (resid 23 and name c )
(resid 24 and name n ) 56.350 33.600
! 24 V
assign (resid 23 and name c ) (resid 24 and name n )
(resid 24 and name ca) (resid 24 and name c )
(resid 25 and name n ) 63.380 32.520
! 25 D
assign (resid 24 and name c ) (resid 25 and name n )
(resid 25 and name ca) (resid 25 and name c )
(resid 26 and name n ) 54.810 40.720
! 26 N
assign (resid 25 and name c ) (resid 26 and name n )
(resid 26 and name ca) (resid 26 and name c )
(resid 27 and name n ) 53.650 39.410
! 27 N
assign (resid 26 and name c ) (resid 27 and name n )
(resid 27 and name ca) (resid 27 and name c )
(resid 28 and name n ) 53.270 39.410
! 28 A
assign (resid 27 and name c ) (resid 28 and name n )
(resid 28 and name ca) (resid 28 and name c )
(resid 29 and name n ) 53.940 19.640
! 29 I
assign (resid 28 and name c ) (resid 29 and name n )
(resid 29 and name ca) (resid 29 and name c )
(resid 30 and name n ) 60.150 39.950
! 30 E
assign (resid 29 and name c ) (resid 30 and name n )
(resid 30 and name ca) (resid 30 and name c )
(resid 31 and name n ) 54.040 34.870
! 31 F
assign (resid 30 and name c ) (resid 31 and name n )
(resid 31 and name ca) (resid 31 and name c )
(resid 32 and name n ) 57.660 42.310
! 32 L
assign (resid 31 and name c ) (resid 32 and name n )
(resid 32 and name ca) (resid 32 and name c )
(resid 33 and name n ) 54.110 41.940
! 33 L
assign (resid 32 and name c ) (resid 33 and name n )
(resid 33 and name ca) (resid 33 and name c )
(resid 34 and name n ) 53.720 47.00
! 34 L
assign (resid 33 and name c ) (resid 34 and name n )
(resid 34 and name ca) (resid 34 and name c )
(resid 35 and name n ) 53.170 43.970
! 36 A
assign (resid 35 and name c ) (resid 36 and name n )
(resid 36 and name ca) (resid 36 and name c )
(resid 37 and name n ) 53.270 19.750
! 37 S
assign (resid 36 and name c ) (resid 37 and name n )
(resid 37 and name ca) (resid 37 and name c )
(resid 38 and name n ) 58.610 64.070
! 38 D
assign (resid 37 and name c ) (resid 38 and name n )
(resid 38 and name ca) (resid 38 and name c )
(resid 39 and name n ) 52.480 42.310
! 40 I
assign (resid 39 and name c ) (resid 40 and name n )
(resid 40 and name ca) (resid 40 and name c )
(resid 41 and name n ) 60.960 38.100
! 43 W
assign (resid 42 and name c ) (resid 43 and name n )
(resid 43 and name ca) (resid 43 and name c )
(resid 44 and name n ) 56.120 31.070
! 44 T
assign (resid 43 and name c ) (resid 44 and name n )
(resid 44 and name ca) (resid 44 and name c )
(resid 45 and name n ) 59.300 71.140
! 46 P
assign (resid 45 and name c ) (resid 46 and name n )
(resid 46 and name ca) (resid 46 and name c )
(resid 47 and name n ) 63.470 32.510
! 47 K
assign (resid 46 and name c ) (resid 47 and name n )
(resid 47 and name ca) (resid 47 and name c )
(resid 48 and name n ) 56.040 34.150
! 49 H
assign (resid 48 and name c ) (resid 49 and name n )
(resid 49 and name ca) (resid 49 and name c )
(resid 50 and name n ) 56.450 30.340
! 50 V
assign (resid 49 and name c ) (resid 50 and name n )
(resid 50 and name ca) (resid 50 and name c )
(resid 51 and name n ) 62.570 33.360
! 51 E
assign (resid 50 and name c ) (resid 51 and name n )
(resid 51 and name ca) (resid 51 and name c )
(resid 52 and name n ) 54.040 29.250
! 52 P
! assign (resid 51 and name c ) (resid 52 and name n )
! (resid 52 and name ca) (resid 52 and name c )
! (resid 53 and name n ) 64.670 28.070
! 54 E
assign (resid 53 and name c ) (resid 54 and name n )
(resid 54 and name ca) (resid 54 and name c )
(resid 55 and name n ) 56.110 31.130
! 55 D
assign (resid 54 and name c ) (resid 55 and name n )
(resid 55 and name ca) (resid 55 and name c )
(resid 56 and name n ) 53.480 43.170
! 56 D
assign (resid 55 and name c ) (resid 56 and name n )
(resid 56 and name ca) (resid 56 and name c )
(resid 57 and name n ) 58.370 41.740
! 57 L
assign (resid 56 and name c ) (resid 57 and name n )
(resid 57 and name ca) (resid 57 and name c )
(resid 58 and name n ) 57.580 40.920
! 58 E
assign (resid 57 and name c ) (resid 58 and name n )
(resid 58 and name ca) (resid 58 and name c )
(resid 59 and name n ) 59.620 29.320
! 59 T
assign (resid 58 and name c ) (resid 59 and name n )
(resid 59 and name ca) (resid 59 and name c )
(resid 60 and name n ) 68.010 68.150
! 60 A
assign (resid 59 and name c ) (resid 60 and name n )
(resid 60 and name ca) (resid 60 and name c )
(resid 61 and name n ) 56.110 18.490
! 61 L
assign (resid 60 and name c ) (resid 61 and name n )
(resid 61 and name ca) (resid 61 and name c )
(resid 62 and name n ) 58.240 42.420
! 62 R
assign (resid 61 and name c ) (resid 62 and name n )
(resid 62 and name ca) (resid 62 and name c )
(resid 63 and name n ) 60.190 29.160
! 63 A -sw
assign (resid 62 and name c ) (resid 63 and name n )
(resid 63 and name ca) (resid 63 and name c )
(resid 64 and name n ) 55.020 17.96
! 64 T
assign (resid 63 and name c ) (resid 64 and name n )
(resid 64 and name ca) (resid 64 and name c )
(resid 65 and name n ) 68.710 68.180
! 65 Q large delta delta
! assign (resid 64 and name c ) (resid 65 and name n )
! (resid 65 and name ca) (resid 65 and name c )
! (resid 66 and name n ) 60.310 34.120
! 66 E
assign (resid 65 and name c ) (resid 66 and name n )
(resid 66 and name ca) (resid 66 and name c )
(resid 67 and name n ) 59.710 30.160
! 68 A
assign (resid 67 and name c ) (resid 68 and name n )
(resid 68 and name ca) (resid 68 and name c )
(resid 69 and name n ) 51.190 20.450
! 70 I
assign (resid 69 and name c ) (resid 70 and name n )
(resid 70 and name ca) (resid 70 and name c )
(resid 71 and name n ) 61.080 39.950
! 71 E
assign (resid 70 and name c ) (resid 71 and name n )
(resid 71 and name ca) (resid 71 and name c )
(resid 72 and name n ) 55.730 31.610
! 72 A
assign (resid 71 and name c ) (resid 72 and name n )
(resid 72 and name ca) (resid 72 and name c )
(resid 73 and name n ) 55.750 18.970
! 74 Q
assign (resid 73 and name c ) (resid 74 and name n )
(resid 74 and name ca) (resid 74 and name c )
(resid 75 and name n ) 55.740 30.700
! 75 L
assign (resid 74 and name c ) (resid 75 and name n )
(resid 75 and name ca) (resid 75 and name c )
(resid 76 and name n ) 53.670 46.630
! 76 T
assign (resid 75 and name c ) (resid 76 and name n )
(resid 76 and name ca) (resid 76 and name c )
(resid 77 and name n ) 61.350 70.600
! 77 I
assign (resid 76 and name c ) (resid 77 and name n )
(resid 77 and name ca) (resid 77 and name c )
(resid 78 and name n ) 60.630 36.310
! 78 I big delta delta CA
! assign (resid 77 and name c ) (resid 78 and name n )
! (resid 78 and name ca) (resid 78 and name c )
! (resid 79 and name n ) 58.640 35.600
! 79 E
assign (resid 78 and name c ) (resid 79 and name n )
(resid 79 and name ca) (resid 79 and name c )
(resid 80 and name n ) 57.570 30.340
! 81 F
assign (resid 80 and name c ) (resid 81 and name n )
(resid 81 and name ca) (resid 81 and name c )
(resid 82 and name n ) 57.260 40.940
! 82 K
assign (resid 81 and name c ) (resid 82 and name n )
(resid 82 and name ca) (resid 82 and name c )
(resid 83 and name n ) 56.220 34.690
! 83 R
assign (resid 82 and name c ) (resid 83 and name n )
(resid 83 and name ca) (resid 83 and name c )
(resid 84 and name n ) 53.250 34.510
! 84 E
assign (resid 83 and name c ) (resid 84 and name n )
(resid 84 and name ca) (resid 84 and name c )
(resid 85 and name n ) 54.870 31.250
! 85 L
assign (resid 84 and name c ) (resid 85 and name n )
(resid 85 and name ca) (resid 85 and name c )
(resid 86 and name n ) 54.170 43.760
! 86 N
assign (resid 85 and name c ) (resid 86 and name n )
(resid 86 and name ca) (resid 86 and name c )
(resid 87 and name n ) 52.680 41.760
! 88 V
assign (resid 87 and name c ) (resid 88 and name n )
(resid 88 and name ca) (resid 88 and name c )
(resid 89 and name n ) 61.640 33.240
! 89 A -23.2
assign (resid 88 and name c ) (resid 89 and name n )
(resid 89 and name ca) (resid 89 and name c )
(resid 90 and name n ) 51.340 21.100
! 90 R
assign (resid 89 and name c ) (resid 90 and name n )
(resid 90 and name ca) (resid 90 and name c )
(resid 91 and name n ) 57.370 27.800
! 91 N
assign (resid 90 and name c ) (resid 91 and name n )
(resid 91 and name ca) (resid 91 and name c )
(resid 92 and name n ) 54.790 38.320
! 93 P was 47.88 34.46+0.4 large delta delta
! assign (resid 92 and name c ) (resid 93 and name n )
! (resid 93 and name ca) (resid 93 and name c )
! (resid 94 and name n ) 62.760 38.46
! 95 T + 25.44 + 2*sw =71.84
assign (resid 94 and name c ) (resid 95 and name n )
(resid 95 and name ca) (resid 95 and name c )
(resid 96 and name n ) 61.310 71.84
! 96 V
assign (resid 95 and name c ) (resid 96 and name n )
(resid 96 and name ca) (resid 96 and name c )
(resid 97 and name n ) 59.740 34.930
! 97 I
assign (resid 96 and name c ) (resid 97 and name n )
(resid 97 and name ca) (resid 97 and name c )
(resid 98 and name n ) 59.670 39.410
! 98 Y
assign (resid 97 and name c ) (resid 98 and name n )
(resid 98 and name ca) (resid 98 and name c )
(resid 99 and name n ) 57.670 43.760
! 99 W
assign (resid 98 and name c ) (resid 99 and name n )
(resid 99 and name ca) (resid 99 and name c )
(resid 100 and name n ) 58.460 32.720
! 100 L
assign (resid 99 and name c ) (resid 100 and name n )
(resid 100 and name ca) (resid 100 and name c )
(resid 101 and name n ) 54.610 45.550
! 101 A
assign (resid 100 and name c ) (resid 101 and name n )
(resid 101 and name ca) (resid 101 and name c )
(resid 102 and name n ) 51.210 25.370
! 102 E
assign (resid 101 and name c ) (resid 102 and name n )
(resid 102 and name ca) (resid 102 and name c )
(resid 103 and name n ) 53.860 32.700
! 103 V
assign (resid 102 and name c ) (resid 103 and name n )
(resid 103 and name ca) (resid 103 and name c )
(resid 104 and name n ) 61.250 31.550
! 104 K
assign (resid 103 and name c ) (resid 104 and name n )
(resid 104 and name ca) (resid 104 and name c )
(resid 105 and name n ) 58.590 33.160
! 105 D
assign (resid 104 and name c ) (resid 105 and name n )
(resid 105 and name ca) (resid 105 and name c )
(resid 106 and name n ) 52.250 42.180
! 106 Y
assign (resid 105 and name c ) (resid 106 and name n )
(resid 106 and name ca) (resid 106 and name c )
(resid 107 and name n ) 61.810 39.950
! 107 D
assign (resid 106 and name c ) (resid 107 and name n )
(resid 107 and name ca) (resid 107 and name c )
(resid 108 and name n ) 53.500 41.060
! 108 V
assign (resid 107 and name c ) (resid 108 and name n )
(resid 108 and name ca) (resid 108 and name c )
(resid 109 and name n ) 62.040 31.470
! 109 E
assign (resid 108 and name c ) (resid 109 and name n )
(resid 109 and name ca) (resid 109 and name c )
(resid 110 and name n ) 56.380 30.290
! 110 I
assign (resid 109 and name c ) (resid 110 and name n )
(resid 110 and name ca) (resid 110 and name c )
(resid 111 and name n ) 58.280 36.640
! 111 R
assign (resid 110 and name c ) (resid 111 and name n )
(resid 111 and name ca) (resid 111 and name c )
(resid 112 and name n ) 54.570 31.970
! 112 L
assign (resid 111 and name c ) (resid 112 and name n )
(resid 112 and name ca) (resid 112 and name c )
(resid 113 and name n ) 54.370 43.140
! 113 S
assign (resid 112 and name c ) (resid 113 and name n )
(resid 113 and name ca) (resid 113 and name c )
(resid 114 and name n ) 57.130 66.600
! 114 H
assign (resid 113 and name c ) (resid 114 and name n )
(resid 114 and name ca) (resid 114 and name c )
(resid 115 and name n ) 57.930 29.430
! 115 E
assign (resid 114 and name c ) (resid 115 and name n )
(resid 115 and name ca) (resid 115 and name c )
(resid 116 and name n ) 57.720 30.340
! 116 H
assign (resid 115 and name c ) (resid 116 and name n )
(resid 116 and name ca) (resid 116 and name c )
(resid 117 and name n ) 57.130 34.330
! 118 A
assign (resid 117 and name c ) (resid 118 and name n )
(resid 118 and name ca) (resid 118 and name c )
(resid 119 and name n ) 51.830 22.360
! 119 Y
assign (resid 118 and name c ) (resid 119 and name n )
(resid 119 and name ca) (resid 119 and name c )
(resid 120 and name n ) 56.950 42.310
! 120 R
assign (resid 119 and name c ) (resid 120 and name n )
(resid 120 and name ca) (resid 120 and name c )
(resid 121 and name n ) 55.870 36.320
! 121 W
assign (resid 120 and name c ) (resid 121 and name n )
(resid 121 and name ca) (resid 121 and name c )
(resid 122 and name n ) 56.050 30.520
! 122 L
assign (resid 121 and name c ) (resid 122 and name n )
(resid 122 and name ca) (resid 122 and name c )
(resid 123 and name n ) 54.110 47.580
! 124 L
assign (resid 123 and name c ) (resid 124 and name n )
(resid 124 and name ca) (resid 124 and name c )
(resid 125 and name n ) 59.400 41.760
! 125 E large delta delta
! assign (resid 124 and name c ) (resid 125 and name n )
! (resid 125 and name ca) (resid 125 and name c )
! (resid 126 and name n ) 60.460 36.500
! 126 E large delta delta
! assign (resid 125 and name c ) (resid 126 and name n )
! (resid 126 and name ca) (resid 126 and name c )
! (resid 127 and name n ) 59.530 37.410
! 127 A
assign (resid 126 and name c ) (resid 127 and name n )
(resid 127 and name ca) (resid 127 and name c )
(resid 128 and name n ) 55.190 17.850
! 128 C
assign (resid 127 and name c ) (resid 128 and name n )
(resid 128 and name ca) (resid 128 and name c )
(resid 129 and name n ) 64.800 27.080
! 129 Q
assign (resid 128 and name c ) (resid 129 and name n )
(resid 129 and name ca) (resid 129 and name c )
(resid 130 and name n ) 58.420 28.340
! 130 L
assign (resid 129 and name c ) (resid 130 and name n )
(resid 130 and name ca) (resid 130 and name c )
(resid 131 and name n ) 56.390 41.460
! 131 A
assign (resid 130 and name c ) (resid 131 and name n )
(resid 131 and name ca) (resid 131 and name c )
(resid 132 and name n ) 53.940 18.220
! 133 F
assign (resid 132 and name c ) (resid 133 and name n )
(resid 133 and name ca) (resid 133 and name c )
(resid 134 and name n ) 57.600 40.180
! 134 K
assign (resid 133 and name c ) (resid 134 and name n )
(resid 134 and name ca) (resid 134 and name c )
(resid 135 and name n ) 60.650 32.530
! 135 E
assign (resid 134 and name c ) (resid 135 and name n )
(resid 135 and name ca) (resid 135 and name c )
(resid 136 and name n ) 60.570 28.710
! 137 K
assign (resid 136 and name c ) (resid 137 and name n )
(resid 137 and name ca) (resid 137 and name c )
(resid 138 and name n ) 60.420 32.700
! 138 A
assign (resid 137 and name c ) (resid 138 and name n )
(resid 138 and name ca) (resid 138 and name c )
(resid 139 and name n ) 54.990 18.060
! 139 A
assign (resid 138 and name c ) (resid 139 and name n )
(resid 139 and name ca) (resid 139 and name c )
(resid 140 and name n ) 55.860 18.010
! 140 L
assign (resid 139 and name c ) (resid 140 and name n )
(resid 140 and name ca) (resid 140 and name c )
(resid 141 and name n ) 58.250 41.580
! 141 Q large delta delta
! assign (resid 140 and name c ) (resid 141 and name n )
! (resid 141 and name ca) (resid 141 and name c )
! (resid 142 and name n ) 59.850 34.510
! 142 E large delta delta
! assign (resid 141 and name c ) (resid 142 and name n )
! (resid 142 and name ca) (resid 142 and name c )
! (resid 143 and name n ) 59.500 37.050
! 144 H
assign (resid 143 and name c ) (resid 144 and name n )
(resid 144 and name ca) (resid 144 and name c )
(resid 145 and name n ) 62.540 31.610
! 145 Q large delta delta
! assign (resid 144 and name c ) (resid 145 and name n )
! (resid 145 and name ca) (resid 145 and name c )
! (resid 146 and name n ) 59.170 33.980
! 146 F
assign (resid 145 and name c ) (resid 146 and name n )
(resid 146 and name ca) (resid 146 and name c )
(resid 147 and name n ) 61.740 39.410
! 147 L
assign (resid 146 and name c ) (resid 147 and name n )
(resid 147 and name ca) (resid 147 and name c )
(resid 148 and name n ) 57.150 42.280
! 148 C
assign (resid 147 and name c ) (resid 148 and name n )
(resid 148 and name ca) (resid 148 and name c )
(resid 149 and name n ) 61.890 27.280
! 149 S
assign (resid 148 and name c ) (resid 149 and name n )
(resid 149 and name ca) (resid 149 and name c )
(resid 150 and name n ) 59.390 63.890
! 150 I
assign (resid 149 and name c ) (resid 150 and name n )
(resid 150 and name ca) (resid 150 and name c )
(resid 151 and name n ) 61.790 38.680
! 151 E large delta delta
! assign (resid 150 and name c ) (resid 151 and name n )
! (resid 151 and name ca) (resid 151 and name c )
! (resid 152 and name n ) 56.500 36.320
! 152 A
assign (resid 151 and name c ) (resid 152 and name n )
(resid 152 and name ca) (resid 152 and name c )
(resid 153 and name n ) 54.050 20.370
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