NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
545583 |
2ls7   |
18412 | cing | 1-original | 5 | XPLOR/CNS | coupling constant |
!PEA-15
!CA and CB shifts
!! A2
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 ) 54.65 18.39
!! E3
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 ) 59.40 29.56
!! Y4
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 ) 60.63 38.40
!! G5
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 ) 47.14 0.00
!! T6
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 ) 66.45 68.39
!! L7
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 ) 58.22 39.75
!! L8
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 ) 58.13 40.14
!! Q9
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 ) 58.78 28.93
!! D10
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 ) 57.68 39.94
!! L11
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 ) 58.49 43.25
!! T12
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 ) 67.83 68.52
!! N13
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 ) 54.65 38.26
!! N14
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 ) 53.36 41.46
!! I15
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 ) 60.88 41.34
!! T16
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 ) 60.80 71.26
!! L17
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 ) 58.69 41.33
!! E18
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 ) 59.99 29.15
!! D19
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 ) 56.59 41.31
!! L20
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 ) 56.91 41.10
!! E21
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 ) 59.27 28.92
!! E22
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 ) 58.59 28.24
!! L23
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 ) 57.79 39.62
!! K24
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 ) 60.55 31.81
!! S25
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 ) 61.56 62.57
!! A26
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 ) 54.25 18.71
!! C27
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 ) 59.38 28.63
!! K28
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 ) 58.42 31.55
!! E29
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 ) 58.24 28.86
!! D30
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 ) 55.88 41.53
!! I31
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 ) 58.03 38.77
!! P32
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 ) 62.85 32.51
!! R33
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 ) 61.13 63.00
!! E34
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 ) 58.70 28.71
!! K35
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 ) 55.46 32.26
!! S36
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 ) 61.45 62.82
!! E37
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 ) 58.11 29.54
!! E38
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 ) 56.49 30.10
!! I39
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 ) 60.92 37.40
!! T40
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 ) 61.17 69.91
!! T41
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 ) 59.12 73.44
!! G42
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 ) 47.51 0.00
!! S43
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 ) 61.52 62.45
!! A44
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 ) 54.53 19.33
!! W45
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 ) 61.63 27.52
!! F46
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 ) 61.69 37.85
!! S47
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 ) 61.72 62.77
!! F48
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 ) 61.79 38.93
!! L49
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 ) 58.23 41.53
!! E50
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 ) 59.18 30.62
!! S51
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 ) 60.58 62.88
!! H52
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 ) 56.42 28.42
!! N53
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 ) 54.81 36.76
!! K54
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 ) 54.26 33.55
!! 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 ) 55.27 46.38
!! D56
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 ) 53.67 42.32
!! K57
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 ) 58.65 31.32
!! 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 ) 54.28 43.06
!! N59
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 ) 52.73 38.88
!! L60
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 ) 54.25 42.19
!! S61
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 ) 62.00 62.99
!! Y62
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 ) 62.21 38.93
!! I63
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 ) 65.12 37.38
!! E64
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 ) 60.90 30.24
!! H65
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 ) 59.02 28.59
!! I66
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 ) 61.74 35.09
!! F67
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 ) 57.68 36.68
!! 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 ) 60.10 29.74
!! I69
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 ) 64.23 37.63
!! S70
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 ) 58.50 63.03
!! R71
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 ) 56.45 26.35
!! R72
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 ) 49.61 28.56
!! P73
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 ) 64.70 31.33
!! D74
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 ) 55.99 38.04
!! L75
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 ) 56.36 38.64
!! L76
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 ) 58.85 42.61
!! T77
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 ) 66.88 68.99
!! M78
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 ) 59.84 32.70
!! V79
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 ) 66.98 32.03
!! V80
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 ) 67.11 31.85
!! D81
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 ) 57.68 40.57
!! Y82
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 ) 61.50 38.62
!! R83
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 ) 59.88 30.38
!! T84
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 ) 65.32 69.27
!! R85
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 ) 58.91 30.81
!! 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 ) 64.26 31.71
!! L87
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 ) 56.06 41.73
!! K88
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 ) 56.69 32.12
!! I89
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 ) 61.87 38.66
!! 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 ) 58.58 63.90
{ !! E91
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 ) 57.28 30.25
!! E92
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 ) 57.21 30.26
!! D93
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 ) 54.86 41.43
!! E94
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 ) 56.99 30.19
!! L95
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 ) 55.81 42.30
!! D96
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 ) 54.85 41.18
!! T97
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 ) 62.73 69.26
!! K98
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 ) 57.22 32.48
!! L99
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 ) 55.49 41.86
!! 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 ) 62.07 69.49
!! R101
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 ) 55.94 30.82
!! I102
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 ) 58.70 38.49
!! P103
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 ) 63.44 32.13
!! S104
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 ) 58.32 63.74
!! A105
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 ) 52.66 19.25
!! K106
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 ) 56.43 33.07
!! K107
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 ) 56.20 33.12
!! Y108
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 ) 57.80 38.91
!! K109
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 ) 56.33 33.22
!! D110
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 ) 54.50 41.39
!! I111
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 ) 61.15 38.82
!! I112
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 ) 60.96 38.47
!! R113
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 ) 55.67 31.05
!! Q114
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 ) 53.56 28.81
!! P115
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 ) 63.42 32.11
!! S116
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 ) 58.22 64.07
!! E117
assign (resid 116 and name c ) (resid 117 and name n )
(resid 117 and name ca) (resid 117 and name c )
(resid 118 and name n ) 57.72 30.08
!! E118
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 ) 57.47 30.14
!! E119
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 ) 57.21 30.29
!! I120
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 ) 61.98 38.45
!! I121
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 ) 61.74 38.29
!! K122
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 ) 56.39 33.00
!! L123
assign (resid 122 and name c ) (resid 123 and name n )
(resid 123 and name ca) (resid 123 and name c )
(resid 124 and name n ) 54.80 42.53
!! A124
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 ) 50.35 18.22
!! P125
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 ) 61.36 33.31
!! P126
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 ) 61.35 30.80
!! P127
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 ) 62.74 32.10
!! K128
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 ) 56.16 33.29
!! K129
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 ) 56.23 33.29
!! A130
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 ) 53.79 20.23
}!remark phi and psi angle constraints for PEA-15
!couplings not measured 12,24,33,49,57,68,93,94,99,104,105,107,108,109,110
!coupling for 12,24,33,49,57 estimated to be < 5Hz
!coupling for 93,94,99,107,108 estimated to be ~ 7Hz
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