NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
8524 |
1mdi   |
cing | 1-original | 7 | XPLOR/CNS | chemical shift |
D. 13Ca and 13Cb chemical shift restraints
!remark Ca and Cb shifts
!! v2
assign (resid 1 and name c ) (resid 2 and name n )
(resid 2 and name ca) (resid 2 and name c )
(resid 3 and name n ) 61.29 32.93
!! k3
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 ) 55.92 33.99
!! q4
assign (resid 3 and name c ) (resid 4 and name n )
(resid 4 and name ca) (resid 4 and name c )
(resid 5 and name n ) 54.99 29.17
!! i5
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 ) 57.49 36.68
!! e6
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 ) 55.46 30.48
!! s7
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 ) 56.74 66.97
!! k8
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 ) 60.28 32.16
!! t9
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 ) 66.16 68.48
!! a10
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 ) 54.80 18.90
!! f11
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 ) 60.44 39.01
!! q12
assign (resid 11 and name c ) (resid 12 and name n )
(resid 12 and name ca) (resid 12 and name c )
(resid 13 and name n ) 58.46 28.39
!! e13
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 ) 59.00 28.58
!! a14
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 ) 54.75 18.40
!! l15
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 ) 57.79 41.15
!! d16
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 ) 56.53 39.74
!! a17
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 ) 53.32 18.52
!! a18
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 ) 53.53 20.60
!! g19
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 ) 47.26 0.00
!! d20
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 ) 53.88 40.50
!! k21
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 ) 57.31 33.54
!! l22
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 ) 55.77 42.93
!! v23
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 ) 60.08 34.50
!! v24
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 ) 60.01 33.65
!! v25
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 ) 60.10 34.38
!! d26
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 ) 50.74 38.13
!! f27
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 ) 57.40 38.66
!! s28
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 ) 56.26 65.32
!! a29
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 ) 50.78 22.22
!! t30
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 ) 64.57 69.31
!! g33
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 ) 49.12 0.00
!! p34
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 ) 65.41 32.86
!! a35
assign (resid 34 and name c ) (resid 35 and name n )
(resid 35 and name ca) (resid 35 and name c )
(resid 36 and name n ) 54.74 17.80
!! k36
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 ) 59.94 32.21
!! m37
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 ) 57.75 $noexpectation
!! i38
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 ) 61.22 40.32
!! k39
assign (resid 38 and name c ) (resid 39 and name n )
(resid 39 and name ca) (resid 39 and name c )
(resid 40 and name n ) 61.95 30.07
!! p40
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 ) 66.12 30.83
!! f41
assign (resid 40 and name c ) (resid 41 and name n )
(resid 41 and name ca) (resid 41 and name c )
(resid 42 and name n ) 60.99 39.23
!! f42
assign (resid 41 and name c ) (resid 42 and name n )
(resid 42 and name ca) (resid 42 and name c )
(resid 43 and name n ) 62.68 39.66
!! s44
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 ) 62.03 62.81
!! l45
assign (resid 44 and name c ) (resid 45 and name n )
(resid 45 and name ca) (resid 45 and name c )
(resid 46 and name n ) 57.33 41.33
!! s46
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 ) 60.20 62.56
!! e47
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 ) 56.96 29.14
!! k48
assign (resid 47 and name c ) (resid 48 and name n )
(resid 48 and name ca) (resid 48 and name c )
(resid 49 and name n ) 57.90 34.25
!! y49
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 ) 56.69 37.39
!! s50
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 ) 60.36 63.20
!! n51
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 ) 52.94 37.70
!! v52
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 ) 60.82 34.89
!! i53
assign (resid 52 and name c ) (resid 53 and name n )
(resid 53 and name ca) (resid 53 and name c )
(resid 54 and name n ) 59.98 38.58
!! f54
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 ) 56.71 40.47
!! l55
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 ) 52.65 45.72
!! e56
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 ) 54.53 33.63
!! v57
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 ) 60.40 35.53
!! d58
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 ) 52.75 41.76
!! v59
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 ) 64.53 30.25
!! d60
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 ) 56.27 41.25
!! d61
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 ) 55.00 40.85
!! A62
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 ) 50.14 17.57
!! q63
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 ) 59.33 28.81
!! d64
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 ) 56.34 38.92
!! v65
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 ) 65.39 31.12
!! a66
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 ) 55.54 18.49
!! s67
assign (resid 66 and name c ) (resid 67 and name n )
(resid 67 and name ca) (resid 67 and name c )
(resid 68 and name n ) 61.25 62.71
!! e68
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 ) 58.75 27.89
!! a69
assign (resid 68 and name c ) (resid 69 and name n )
(resid 69 and name ca) (resid 69 and name c )
(resid 70 and name n ) 52.24 20.20
!! e70
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 ) 56.32 25.93
!! v71
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 ) 63.74 31.99
!! k72
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 ) 55.59 34.85
!! a73
assign (resid 72 and name c ) (resid 73 and name n )
(resid 73 and name ca) (resid 73 and name c )
(resid 74 and name n ) 50.55 23.41
!! t74
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 ) 57.15 71.38
!! p75
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 ) 62.73 33.17
!! t76
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 ) 62.99 72.62
!! f77
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 ) 55.45 40.79
!! q78
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 ) 54.49 33.31
!! f79
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 ) 55.91 41.52
!! f80
assign (resid 79 and name c ) (resid 80 and name n )
(resid 80 and name ca) (resid 80 and name c )
(resid 81 and name n ) 56.45 44.42
!! k81
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 ) 56.65 36.32
!! k82
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 ) 56.89 30.08
!! g83
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 ) 45.81 0.00
!! q84
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 ) 53.46 31.07
!! k85
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 ) 57.20 31.51
!! v86
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 ) 60.74 32.65
!! g87
assign (resid 86 and name c ) (resid 87 and name n )
(resid 87 and name ca) (resid 87 and name c )
(resid 88 and name n ) 46.11 0.00
!! e88
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 ) 56.22 32.53
!! f89
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 ) 58.30 40.80
!! s90
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 ) 57.23 66.72
!! g91
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 ) 43.75 0.00
!! a92
assign (resid 91 and name c ) (resid 92 and name n )
(resid 92 and name ca) (resid 92 and name c )
(resid 93 and name n ) 50.99 18.15
!! n93
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 ) 52.01 39.36
!! k94
assign (resid 93 and name c ) (resid 94 and name n )
(resid 94 and name ca) (resid 94 and name c )
(resid 95 and name n ) 60.80 32.39
!! e95
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 ) 59.83 28.21
!! k96
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 ) 58.43 32.43
!! l97
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 ) 59.28 41.60
!! e98
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 ) 60.60 29.50
!! a99
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 ) 55.21 18.39
!! t100
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 ) 67.18 68.69
!! i101
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 ) 66.78 38.11
!! n102
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 ) 56.66 39.09
!! e103
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 ) 57.73 29.05
!! l104
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 ) 55.18 45.16
!! v105
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