NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
21962 |
2in2   |
5659 | cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
! N3
assign (resid 2 and name c ) (resid 3 and name n )
(resid 3 and name ca) (resid 3 and name c ) 1.0 -80.0 40.0 2
!! N3
assign (resid 3 and name n ) (resid 3 and name ca )
(resid 3 and name c ) (resid 4 and name n ) 1.0 -40.0 40.0 2
!! T4
assign (resid 3 and name c ) (resid 4 and name n )
(resid 4 and name ca) (resid 4 and name c ) 1.0 -60.0 40.0 2
!! T4
assign (resid 4 and name n ) (resid 4 and name ca )
(resid 4 and name c ) (resid 5 and name n ) 1.0 -40.0 40.0 2
!! A7
assign (resid 6 and name c ) (resid 7 and name n )
(resid 7 and name ca) (resid 7 and name c ) 1.0 -60.0 40.0 2
!! A7
assign (resid 7 and name n ) (resid 7 and name ca )
(resid 7 and name c ) (resid 8 and name n ) 1.0 -40.0 40.0 2
!! L8
assign (resid 7 and name c ) (resid 8 and name n )
(resid 8 and name ca) (resid 8 and name c ) 1.0 -60.0 40.0 2
!! L8
assign (resid 8 and name n ) (resid 8 and name ca )
(resid 8 and name c ) (resid 9 and name n ) 1.0 -40.0 40.0 2
!! S9
assign (resid 8 and name c ) (resid 9 and name n )
(resid 9 and name ca) (resid 9 and name c ) 1.0 -70.0 40.0 2
!! S9
assign (resid 9 and name n ) (resid 9 and name ca )
(resid 9 and name c ) (resid 10 and name n ) 1.0 -40.0 40.0 2
!! L10
assign (resid 9 and name c ) (resid 10 and name n )
(resid 10 and name ca) (resid 10 and name c ) 1.0 -60.0 40.0 2
!! L10
assign (resid 10 and name n ) (resid 10 and name ca )
(resid 10 and name c ) (resid 11 and name n ) 1.0 -40.0 40.0 2
!! L11
assign (resid 10 and name c ) (resid 11 and name n )
(resid 11 and name ca) (resid 11 and name c ) 1.0 -60.0 40.0 2
!! L11
assign (resid 11 and name n ) (resid 11 and name ca )
(resid 11 and name c ) (resid 12 and name n ) 1.0 -40.0 40.0 2
!! R12
assign (resid 11 and name c ) (resid 12 and name n )
(resid 12 and name ca) (resid 12 and name c ) 1.0 -70.0 40.0 2
!! R12
assign (resid 12 and name n ) (resid 12 and name ca )
(resid 12 and name c ) (resid 13 and name n ) 1.0 -25.0 40.0 2
!! K13
assign (resid 12 and name c ) (resid 13 and name n )
(resid 13 and name ca) (resid 13 and name c ) 1.0 -97.0 40.0 2
!! K13
assign (resid 13 and name n ) (resid 13 and name ca )
(resid 13 and name c ) (resid 14 and name n ) 1.0 -45.0 40.0 2
!end helix
!Start Beta sheet AI (resid ues 14 to 20)
!! I15
assign (resid 14 and name c ) (resid 15 and name n )
(resid 15 and name ca) (resid 15 and name c ) 1.0 -81.0 40.0 2
!! T17
assign (resid 16 and name c ) (resid 17 and name n )
(resid 17 and name ca) (resid 17 and name c ) 1.0 -85.0 40.0 2
!! I18
assign (resid 17 and name c ) (resid 18 and name n )
(resid 18 and name ca) (resid 18 and name c ) 1.0 -100.0 40.0 2
!! T20
assign (resid 19 and name c ) (resid 20 and name n )
(resid 20 and name ca) (resid 20 and name c ) 1.0 -90.0 40.0 2
!! T20
assign (resid 20 and name n ) (resid 20 and name ca )
(resid 20 and name c ) (resid 21 and name n ) 1.0 170.0 40.0 2
!! K22
assign (resid 21 and name c ) (resid 22 and name n )
(resid 22 and name ca) (resid 22 and name c ) 1.0 -100.0 40.0 2
!! K22
assign (resid 22 and name n ) (resid 22 and name ca )
(resid 22 and name c ) (resid 23 and name n ) 1.0 -20.0 40.0 2
!End Beta sheet AI
!Turn2
!! I30
assign (resid 29 and name c ) (resid 30 and name n )
(resid 30 and name ca) (resid 30 and name c ) 1.0 -79.0 40.0 2
!! I30
assign (resid 30 and name n ) (resid 30 and name ca )
(resid 30 and name c ) (resid 31 and name n ) 1.0 -50.0 40.0 2
!! H31
assign (resid 30 and name c ) (resid 31 and name n )
(resid 31 and name ca) (resid 31 and name c ) 1.0 -175.0 40.0 2
!! H31
assign (resid 31 and name n ) (resid 31 and name ca )
(resid 31 and name c ) (resid 32 and name n ) 1.0 150.0 40.0 2
!! 32
assign (resid 31 and name c ) (resid 32 and name n )
(resid 32 and name ca) (resid 32 and name c ) 1.0 60.0 40.0 2
!! 32
assign (resid 32 and name n ) (resid 32 and name ca )
(resid 32 and name c ) (resid 33 and name n ) 1.0 -90.0 60.0 2
!! V34
assign (resid 33 and name c ) (resid 34 and name n )
(resid 34 and name ca) (resid 34 and name c ) 1.0 -77.0 40.0 2
!! V34
assign (resid 34 and name n ) (resid 34 and name ca )
(resid 34 and name c ) (resid 35 and name n ) 1.0 120.0 40.0 2
!End Turn 2
!Active site
!! T39
assign (resid 38 and name c ) (resid 39 and name n )
(resid 39 and name ca) (resid 39 and name c ) 1.0 -69.0 40.0 2
!! T39
assign (resid 39 and name n ) (resid 39 and name ca )
(resid 39 and name c ) (resid 40 and name n ) 1.0 -35.0 40.0 2
!! H40
assign (resid 39 and name c ) (resid 40 and name n )
(resid 40 and name ca) (resid 40 and name c ) 1.0 -60.0 40.0 2
!! H40
assign (resid 40 and name n ) (resid 40 and name ca )
(resid 40 and name c ) (resid 41 and name n ) 1.0 -15.0 40.0 2
!! A41
assign (resid 40 and name c ) (resid 41 and name n )
(resid 41 and name ca) (resid 41 and name c ) 1.0 -76.0 40.0 2
!! 41
assign (resid 41 and name n ) (resid 41 and name ca )
(resid 41 and name c ) (resid 42 and name n ) 1.0 -25.0 40.0 2
!end active site
!Start Beta Sheet DI (resid ues 45 to 49)
!! D45
assign (resid 44 and name c ) (resid 45 and name n )
(resid 45 and name ca) (resid 45 and name c ) 1.0 -74.0 40.0 2
!! D45
assign (resid 45 and name n ) (resid 45 and name ca )
(resid 45 and name c ) (resid 46 and name n ) 1.0 -30.0 40.0 2
!! V47
assign (resid 46 and name c ) (resid 47 and name n )
(resid 47 and name ca) (resid 47 and name c ) 1.0 -120.0 40.0 2
!! L48
assign (resid 47 and name c ) (resid 48 and name n )
(resid 48 and name ca) (resid 48 and name c ) 1.0 -120.0 40.0 2
!! V49
assign (resid 48 and name c ) (resid 49 and name n )
(resid 49 and name ca) (resid 49 and name c ) 1.0 -100.0 40.0 2
!End Beta Sheet DI (resid ues 45 to 49)
!Turn 3
!! N50
assign (resid 49 and name c ) (resid 50 and name n )
(resid 50 and name ca) (resid 50 and name c ) 1.0 60.0 40.0 2
!! N50
assign (resid 50 and name n ) (resid 50 and name ca )
(resid 50 and name c ) (resid 51 and name n ) 1.0 30.0 40.0 2
!end Turn 3
!Start Beta Sheet EI (resid ues 52 to 66)
!! Q52
assign (resid 51 and name c ) (resid 52 and name n )
(resid 52 and name ca) (resid 52 and name c ) 1.0 -88.0 40.0 2
!! Q52
assign (resid 52 and name n ) (resid 52 and name ca )
(resid 52 and name c ) (resid 53 and name n ) 1.0 125.0 40.0 2
!! K53
assign (resid 52 and name c ) (resid 53 and name n )
(resid 53 and name ca) (resid 53 and name c ) 1.0 -58.0 40.0 2
!! K53
assign (resid 53 and name n ) (resid 53 and name ca )
(resid 53 and name c ) (resid 54 and name n ) 1.0 130.0 40.0 2
!! I54
assign (resid 53 and name c ) (resid 54 and name n )
(resid 54 and name ca) (resid 54 and name c ) 1.0 -140.0 40.0 2
!! K57
assign (resid 56 and name c ) (resid 57 and name n )
(resid 57 and name ca) (resid 57 and name c ) 1.0 -96.0 40.0 2
!! K57
assign (resid 57 and name n ) (resid 57 and name ca )
(resid 57 and name c ) (resid 58 and name n ) 1.0 -40.0 40.0 2
!! 60
assign (resid 59 and name c ) (resid 60 and name n )
(resid 60 and name ca) (resid 60 and name c ) 1.0 -85.0 40.0 2
!! 60
assign (resid 60 and name n ) (resid 60 and name ca )
(resid 60 and name c ) (resid 61 and name n ) 1.0 130.0 40.0 2
!! 61
assign (resid 60 and name c ) (resid 61 and name n )
(resid 61 and name ca) (resid 61 and name c ) 1.0 -78.0 40.0 2
!! K61
assign (resid 61 and name n ) (resid 61 and name ca )
(resid 61 and name c ) (resid 62 and name n ) 1.0 130.0 40.0 2
!End Beta Sheet EI
!! N64
assign (resid 63 and name c ) (resid 64 and name n )
(resid 64 and name ca) (resid 64 and name c ) 1.0 -60.0 40.0 2
!! N64
assign (resid 64 and name n ) (resid 64 and name ca )
(resid 64 and name c ) (resid 65 and name n ) 1.0 135.0 40.0 2
!Turn 4
!! E66
assign (resid 65 and name c ) (resid 66 and name n )
(resid 66 and name ca) (resid 66 and name c ) 1.0 -101.0 40.0 2
!! E66
assign (resid 66 and name n ) (resid 66 and name ca )
(resid 66 and name c ) (resid 67 and name n ) 1.0 0.0 40.0 2
!! 67
assign (resid 66 and name c ) (resid 67 and name n )
(resid 67 and name ca) (resid 67 and name c ) 1.0 60.0 40.0 2
!! 67
assign (resid 67 and name n ) (resid 67 and name ca )
(resid 67 and name c ) (resid 68 and name n ) 1.0 30.0 40.0 2
!End turn 4
!Start Beta Sheet FI
!! N69
assign (resid 68 and name c ) (resid 69 and name n )
(resid 69 and name ca) (resid 69 and name c ) 1.0 -62.0 60.0 2
!! 69
assign (resid 69 and name n ) (resid 69 and name ca )
(resid 69 and name c ) (resid 70 and name n ) 1.0 140.0 40.0 2
!! 70
assign (resid 69 and name c ) (resid 70 and name n )
(resid 70 and name ca) (resid 70 and name c ) 1.0 -120.0 40.0 2
!! 70
assign (resid 70 and name n ) (resid 70 and name ca )
(resid 70 and name c ) (resid 71 and name n ) 1.0 -20.0 40.0 2
!! 71
assign (resid 70 and name c ) (resid 71 and name n )
(resid 71 and name ca) (resid 71 and name c ) 1.0 60.0 40.0 2
!! 71
assign (resid 71 and name n ) (resid 71 and name ca )
(resid 71 and name c ) (resid 72 and name n ) 1.0 20.0 40.0 2
!! V74
assign (resid 73 and name c ) (resid 74 and name n )
(resid 74 and name ca) (resid 74 and name c ) 1.0 -91.0 40.0 2
!! L75
assign (resid 74 and name c ) (resid 75 and name n )
(resid 75 and name ca) (resid 75 and name c ) 1.0 -104.0 40.0 2
!! T76
assign (resid 75 and name c ) (resid 76 and name n )
(resid 76 and name ca) (resid 76 and name c ) 1.0 -94.0 40.0 2
!! L77
assign (resid 76 and name c ) (resid 77 and name n )
(resid 77 and name ca) (resid 77 and name c ) 1.0 -78.0 40.0 2
!! D78
assign (resid 77 and name c ) (resid 78 and name n )
(resid 78 and name ca) (resid 78 and name c ) 1.0 -67.0 40.0 2
!! D78
assign (resid 78 and name n ) (resid 78 and name ca )
(resid 78 and name c ) (resid 79 and name n ) 1.0 90.0 40.0 2
!! R79
assign (resid 78 and name c ) (resid 79 and name n )
(resid 79 and name ca) (resid 79 and name c ) 1.0 -120.0 60.0 2
!! R79
assign (resid 79 and name n ) (resid 79 and name ca )
(resid 79 and name c ) (resid 80 and name n ) 1.0 135.0 40.0 2
!End Beta Sheet FI (resid ues 72 to 78)
!Loop - Linker Region KFRDI (80-98)
!! 81
assign (resid 80 and name c ) (resid 81 and name n )
(resid 81 and name ca) (resid 81 and name c ) 1.0 -66.0 40.0 2
!! 81
assign (resid 81 and name n ) (resid 81 and name ca )
(resid 81 and name c ) (resid 82 and name n ) 1.0 120.0 40.0 2
!! K82
assign (resid 81 and name c ) (resid 82 and name n )
(resid 82 and name ca) (resid 82 and name c ) 1.0 -80.0 40.0 2
!! K82
assign (resid 82 and name n ) (resid 82 and name ca )
(resid 82 and name c ) (resid 83 and name n ) 1.0 140.0 40.0 2
!! F83
assign (resid 82 and name c ) (resid 83 and name n )
(resid 83 and name ca) (resid 83 and name c ) 1.0 -71.0 50.0 2
!! F83
assign (resid 83 and name n ) (resid 83 and name ca )
(resid 83 and name c ) (resid 84 and name n ) 1.0 140.0 40.0 2
!! R84
assign (resid 83 and name c ) (resid 84 and name n )
(resid 84 and name ca) (resid 84 and name c ) 1.0 -60.0 40.0 2
!! R84
assign (resid 84 and name n ) (resid 84 and name ca )
(resid 84 and name c ) (resid 85 and name n ) 1.0 140.0 40.0 2
!! D85 3J 3.6
assign (resid 84 and name c ) (resid 85 and name n )
(resid 85 and name ca) (resid 85 and name c ) 1.0 -60.0 40.0 2
!! I86 3J 7.9
assign (resid 85 and name c ) (resid 86 and name n )
(resid 86 and name ca) (resid 86 and name c ) 1.0 -90.0 40.0 2
!! I86
assign (resid 86 and name n ) (resid 86 and name ca )
(resid 86 and name c ) (resid 87 and name n ) 1.0 20.0 40.0 2
!! R87 3J 2.8
assign (resid 86 and name c ) (resid 87 and name n )
(resid 87 and name ca) (resid 87 and name c ) 1.0 -48.0 40.0 2
!! R87
assign (resid 87 and name n ) (resid 87 and name ca )
(resid 87 and name c ) (resid 88 and name n ) 1.0 -30.0 40.0 2
!! F89 3J 8.0
assign (resid 88 and name c ) (resid 89 and name n )
(resid 89 and name ca) (resid 89 and name c ) 1.0 -87.0 40.0 2
!! F89
assign (resid 89 and name n ) (resid 89 and name ca )
(resid 89 and name c ) (resid 90 and name n ) 1.0 -20.0 40.0 2
!! I90 3J 4.5
assign (resid 89 and name c ) (resid 90 and name n )
(resid 90 and name ca) (resid 90 and name c ) 1.0 -60.0 40.0 2
!! I90
assign (resid 90 and name n ) (resid 90 and name ca )
(resid 90 and name c ) (resid 91 and name n ) 1.0 120.0 40.0 2
!! E92 3J 8.8
assign (resid 91 and name c ) (resid 92 and name n )
(resid 92 and name ca) (resid 92 and name c ) 1.0 -100.0 60.0 2
!! E92 psi
assign (resid 92 and name n ) (resid 92 and name ca )
(resid 92 and name c ) (resid 93 and name n ) 1.0 -30.0 60.0 2
!! L94 3J 7.4
assign (resid 93 and name c ) (resid 94 and name n )
(resid 94 and name ca) (resid 94 and name c ) 1.0 -84 60.0 2
!! L94
assign (resid 94 and name n ) (resid 94 and name ca )
(resid 94 and name c ) (resid 95 and name n ) 1.0 -60 40.0 2
!! E95 3J 3.16 slow exchange!!!
assign (resid 94 and name c ) (resid 95 and name n )
(resid 95 and name ca) (resid 95 and name c ) 1.0 -60 60.0 2
!! E95
assign (resid 95 and name n ) (resid 95 and name ca )
(resid 95 and name c ) (resid 96 and name n ) 1.0 130 40.0 2
!! V97 3J 6.4
assign (resid 96 and name c ) (resid 97 and name n )
(resid 97 and name ca) (resid 97 and name c ) 1.0 -77 60.0 2
!! V97
assign (resid 97 and name n ) (resid 97 and name ca )
(resid 97 and name c ) (resid 98 and name n ) 1.0 140 40.0 2
!! D98 3J 5.9
assign (resid 97 and name c ) (resid 98 and name n )
(resid 98 and name ca) (resid 98 and name c ) 1.0 -70 40.0 2
!! D98
assign (resid 98 and name n ) (resid 98 and name ca )
(resid 98 and name c ) (resid 99 and name n ) 1.0 140 40.0 2
!Start Sheet AII (resid ues 99 to 104)
!! A99 3J 9.4
assign (resid 98 and name c ) (resid 99 and name n )
(resid 99 and name ca) (resid 99 and name c ) 1.0 -120.0 40.0 2
!! A99
assign (resid 99 and name n ) (resid 99 and name ca )
(resid 99 and name c ) (resid 100 and name n ) 1.0 150.0 40.0 2
!! T100 3J 10.6
assign (resid 99 and name c ) (resid 100 and name n )
(resid 100 and name ca) (resid 100 and name c ) 1.0 -120.0 40.0 2
!! T100
assign (resid 100 and name n ) (resid 100 and name ca )
(resid 100 and name c ) (resid 101 and name n ) 1.0 120.0 40.0 2
!! L101 3J 6.8
assign (resid 100 and name c ) (resid 101 and name n )
(resid 101 and name ca) (resid 101 and name c ) 1.0 -80.0 40.0 2
!! 101
assign (resid 101 and name n ) (resid 101 and name ca )
(resid 101 and name c ) (resid 102 and name n ) 1.0 120.0 40.0 2
!! V102 3J 9.6
assign (resid 101 and name c ) (resid 102 and name n )
(resid 102 and name ca) (resid 102 and name c ) 1.0 -100.0 40.0 2
!! V102
assign (resid 102 and name n ) (resid 102 and name ca )
(resid 102 and name c ) (resid 103 and name n ) 1.0 120.0 40.0 2
!End Beta Sheet AII
!shiftor predicted assignments for random coil loop
!! 103
assign (resid 102 and name c ) (resid 103 and name n )
(resid 103 and name ca) (resid 103 and name c ) 1.0 -120.0 40.0 2
!! 103
assign (resid 103 and name n ) (resid 103 and name ca )
(resid 103 and name c ) (resid 104 and name n ) 1.0 135.0 40.0 2
!! 105
assign (resid 104 and name c ) (resid 105 and name n )
(resid 105 and name ca) (resid 105 and name c ) 1.0 -120.0 60.0 2
!! 105
assign (resid 105 and name n ) (resid 105 and name ca )
(resid 105 and name c ) (resid 106 and name n ) 1.0 170.0 60.0 2
!! 106 3J
assign (resid 105 and name c ) (resid 106 and name n )
(resid 106 and name ca) (resid 106 and name c ) 1.0 -60.0 40.0 2
!! 106
assign (resid 106 and name n ) (resid 106 and name ca )
(resid 106 and name c ) (resid 107 and name n ) 1.0 -40.0 40.0 2
!! 107
assign (resid 106 and name c ) (resid 107 and name n )
(resid 107 and name ca) (resid 107 and name c ) 1.0 -60.0 40.0 2
!! 107 -
assign (resid 107 and name n ) (resid 107 and name ca )
(resid 107 and name c ) (resid 108 and name n ) 1.0 -60.0 40.0 2
!! 109 3J 10.53
assign (resid 108 and name c ) (resid 109 and name n )
(resid 109 and name ca) (resid 109 and name c ) 1.0 -120.0 40.0 2
!! 109
assign (resid 109 and name n ) (resid 109 and name ca )
(resid 109 and name c ) (resid 110 and name n ) 1.0 125.0 40.0 2
!Start ShTeet BII (resid ues 111 to 115)
!! T111 3J 10.09
assign (resid 110 and name c ) (resid 111 and name n )
(resid 111 and name ca) (resid 111 and name c ) 1.0 -116.0 40.0 2
!! T111
assign (resid 111 and name n ) (resid 111 and name ca )
(resid 111 and name c ) (resid 112 and name n ) 1.0 110.0 40.0 2
!! I112 3J 7.9
assign (resid 111 and name c ) (resid 112 and name n )
(resid 112 and name ca) (resid 112 and name c ) 1.0 -90.0 40.0 2
!! I112
assign (resid 112 and name n ) (resid 112 and name ca )
(resid 112 and name c ) (resid 113 and name n ) 1.0 110.0 40.0 2
!! L113 3J 8.1
assign (resid 112 and name c ) (resid 113 and name n )
(resid 113 and name ca) (resid 113 and name c ) 1.0 -120.0 40.0 2
!! L113
assign (resid 113 and name n ) (resid 113 and name ca )
(resid 113 and name c ) (resid 114 and name n ) 1.0 120.0 40.0 2
!! N114 3J 8.3
assign (resid 113 and name c ) (resid 114 and name n )
(resid 114 and name ca) (resid 114 and name c ) 1.0 -91.0 40.0 2
!! N114 -
assign (resid 114 and name n ) (resid 114 and name ca )
(resid 114 and name c ) (resid 115 and name n ) 1.0 130.0 40.0 2
!End Beta Sheet BII
!Start Sheet CII (resid ues 119 to 126 )
!! T119 3J 7.3
assign (resid 118 and name c ) (resid 119 and name n )
(resid 119 and name ca) (resid 119 and name c ) 1.0 -158.0 60.0 2
!! T119
assign (resid 119 and name n ) (resid 119 and name ca )
(resid 119 and name c ) (resid 120 and name n ) 1.0 145.0 40.0 2
!End Beta Sheet CII
!All on spec after NOE derived structures
!! L123
assign (resid 122 and name c ) (resid 123 and name n )
(resid 123 and name ca) (resid 123 and name c ) 1.0 -120.0 40.0 2
!! L123
assign (resid 123 and name n ) (resid 123 and name ca )
(resid 123 and name c ) (resid 124 and name n ) 1.0 135.0 40.0 2
!! I124 3J 7.4
assign (resid 123 and name c ) (resid 124 and name n )
(resid 124 and name ca) (resid 124 and name c ) 1.0 -156.0 60.0 2
!! I124
assign (resid 124 and name n ) (resid 124 and name ca )
(resid 124 and name c ) (resid 125 and name n ) 1.0 140.0 40.0 2
!! L126 3J 8.9
assign (resid 125 and name c ) (resid 126 and name n )
(resid 126 and name ca) (resid 126 and name c ) 1.0 -120.0 40.0 2
!! L126
assign (resid 126 and name n ) (resid 126 and name ca )
(resid 126 and name c ) (resid 127 and name n ) 1.0 120.0 40.0 2
!Turn 5
!! S127
assign (resid 126 and name c ) (resid 127 and name n )
(resid 127 and name ca) (resid 127 and name c ) 1.0 60.0 40.0 2
!! S127
assign (resid 127 and name n ) (resid 127 and name ca )
(resid 127 and name c ) (resid 128 and name n ) 1.0 40.0 40.0 2
!! S128
assign (resid 127 and name c ) (resid 128 and name n )
(resid 128 and name ca) (resid 128 and name c ) 1.0 60.0 40.0 2
!! S128
assign (resid 128 and name n ) (resid 128 and name ca )
(resid 128 and name c ) (resid 129 and name n ) 1.0 20.0 40.0 2
!end Turn 5
!Start Sheet DII (resid 129 to 140)
!! 131
assign (resid 130 and name c ) (resid 131 and name n )
(resid 131 and name ca) (resid 131 and name c ) 1.0 -117.0 40.0 2
!! 131
assign (resid 131 and name n ) (resid 131 and name ca )
(resid 131 and name c ) (resid 132 and name n ) 1.0 132.0 40.0 2
!! 133
assign (resid 132 and name c ) (resid 133 and name n )
(resid 133 and name ca) (resid 133 and name c ) 1.0 60.0 40.0 2
!! 133
assign (resid 133 and name n ) (resid 133 and name ca )
(resid 133 and name c ) (resid 134 and name n ) 1.0 40.0 40.0 2
!! 134
assign (resid 133 and name c ) (resid 134 and name n )
(resid 134 and name ca) (resid 134 and name c ) 1.0 -120.0 40.0 2
!! 134
assign (resid 134 and name n ) (resid 134 and name ca )
(resid 134 and name c ) (resid 135 and name n ) 1.0 150.0 40.0 2
!! 135
assign (resid 134 and name c ) (resid 135 and name n )
(resid 135 and name ca) (resid 135 and name c ) 1.0 -90.0 40.0 2
!! 135
assign (resid 135 and name n ) (resid 135 and name ca )
(resid 135 and name c ) (resid 136 and name n ) 1.0 140.0 40.0 2
!! Y137 3J 7.9
assign (resid 136 and name c ) (resid 137 and name n )
(resid 137 and name ca) (resid 137 and name c ) 1.0 -152.0 40.0 2
!! Y137
assign (resid 137 and name n ) (resid 137 and name ca )
(resid 137 and name c ) (resid 138 and name n ) 1.0 135.0 40.0 2
!! T139 3J 8.0
assign (resid 138 and name c ) (resid 139 and name n )
(resid 139 and name ca) (resid 139 and name c ) 1.0 -152.0 40.0 2
!! 139
assign (resid 139 and name n ) (resid 139 and name ca )
(resid 139 and name c ) (resid 140 and name n ) 1.0 130.0 40.0 2
!! 141 3J 3.73
assign (resid 140 and name c ) (resid 141 and name n )
(resid 141 and name ca) (resid 141 and name c ) 1.0 -60.0 80.0 2
!! 141
assign (resid 141 and name n ) (resid 141 and name ca )
(resid 141 and name c ) (resid 142 and name n ) 1.0 150.0 40.0 2
!End Beta Sheet DII
!coil region Acitive site
!! T143 3J 7.6
assign (resid 142 and name c ) (resid 143 and name n )
(resid 143 and name ca) (resid 143 and name c ) 1.0 -86.0 40.0 2
!! K143
assign (resid 143 and name n ) (resid 143 and name ca )
(resid 143 and name c ) (resid 144 and name n ) 1.0 155.0 40.0 2
!! Q145
assign (resid 144 and name c ) (resid 145 and name n )
(resid 145 and name ca) (resid 145 and name c ) 1.0 -100.0 40.0 2
!! Q145
assign (resid 145 and name n ) (resid 145 and name ca )
(resid 145 and name c ) (resid 146 and name n ) 1.0 10.0 40.0 2
!! C146 3J 6.1
assign (resid 145 and name c ) (resid 146 and name n )
(resid 146 and name ca) (resid 146 and name c ) 1.0 -74.0 40.0 2
!! C146
assign (resid 146 and name n ) (resid 146 and name ca )
(resid 146 and name c ) (resid 147 and name n ) 1.0 135.0 40.0 2
!end coil
!Start Sheet EII (resid ues 148 to 152)
!! V149 3J
assign (resid 148 and name c ) (resid 149 and name n )
(resid 149 and name ca ) (resid 149 and name c) 1.0 -89.0 40.0 2
!! V149
assign (resid 149 and name n ) (resid 149 and name ca )
(resid 149 and name c ) (resid 150 and name n) 1.0 120.0 40.0 2
!! L150 3J 6.4
assign (resid 149 and name c ) (resid 150 and name n )
(resid 150 and name ca) (resid 150 and name c ) 1.0 -74.0 40.0 2
!! L150
assign (resid 150 and name n ) (resid 150 and name ca )
(resid 150 and name c ) (resid 151 and name n ) 1.0 110.0 40.0 2
!End Beta Sheet EII
!Turn 6
!! T153 3J 3.98
assign (resid 152 and name c ) (resid 153 and name n )
(resid 153 and name ca) (resid 153 and name c ) 1.0 -60.0 40.0 2
!! T153
assign (resid 153 and name n ) (resid 153 and name ca )
(resid 153 and name c ) (resid 154 and name n ) 1.0 110.0 40.0 2
!end Turn 6
!Start Sheet FII (resid ues 156 to 162)
!! K155 3J 7.8
assign (resid 154 and name c ) (resid 155 and name n )
(resid 155 and name ca) (resid 155 and name c ) 1.0 -120.0 40.0 2
!! F157 3J 9.3
assign (resid 156 and name c ) (resid 157 and name n )
(resid 157 and name ca) (resid 157 and name c ) 1.0 -101.0 40.0 2
!! F157
assign (resid 157 and name n ) (resid 157 and name ca )
(resid 157 and name c ) (resid 158 and name n ) 1.0 -40.0 40.0 2
!! N164 3J 9.0
assign (resid 163 and name c ) (resid 164 and name n )
(resid 164 and name ca) (resid 164 and name c ) 1.0 -120.0 40.0 2
!! N164
assign (resid 164 and name n ) (resid 164 and name ca )
(resid 164 and name c ) (resid 165 and name n ) 1.0 120.0 40.0 2
!End Beta Sheet FII
!Turn 7
!! R166 3J 7.7
assign (resid 165 and name c ) (resid 166 and name n )
(resid 166 and name ca) (resid 166 and name c ) 1.0 -86.0 40.0 2
!! R166
assign (resid 166 and name n ) (resid 166 and name ca )
(resid 166 and name c) (resid 167 and name n ) 1.0 -10.0 40.0 2
!end Turn 5
!Start Sheet GII (resid ues 167 to 173)
!! Q167
assign (resid 166 and name c ) (resid 167 and name n )
(resid 167 and name ca) (resid 167 and name c ) 1.0 -120.0 80.0 2
!! Q167
assign (resid 167 and name n ) (resid 167 and name ca )
(resid 167 and name c) (resid 168 and name n ) 1.0 120.0 60.0 2
!! S170 3J 10.3
assign (resid 169 and name c ) (resid 170 and name n )
(resid 170 and name ca) (resid 170 and name c ) 1.0 -120.0 40.0 2
!! S170
assign (resid 170 and name n ) (resid 170 and name ca )
(resid 170 and name c ) (resid 171 and name n ) 1.0 145.0 40.0 2
!End Beta Sheet GII
!C-term helix?
!! K174 3J 9.4
assign (resid 173 and name c ) (resid 174 and name n )
(resid 174 and name ca) (resid 174 and name c ) 1.0 -102 60.0 2
!! K175 3J 3.0
assign (resid 174 and name c ) (resid 175 and name n )
(resid 175 and name ca) (resid 175 and name c ) 1.0 -60 40.0 2
!! K175
assign (resid 175 and name n ) (resid 175 and name ca )
(resid 175 and name c ) (resid 176 and name n ) 1.0 -30 40.0 2
!! Q176 3J 3.8
assign (resid 175 and name c ) (resid 176 and name n )
(resid 176 and name ca) (resid 176 and name c ) 1.0 -60 40.0 2
!! Q176
assign (resid 176 and name n ) (resid 176 and name ca )
(resid 176 and name c ) (resid 177 and name n ) 1.0 -30 40.0 2
!! Y177 3J 5.2
assign (resid 176 and name c ) (resid 177 and name n )
(resid 177 and name ca) (resid 177 and name c ) 1.0 -68 40.0 2
!! Y177
assign (resid 177 and name n ) (resid 177 and name ca )
(resid 177 and name c ) (resid 178 and name n ) 1.0 -30 40.0 2
!! F178 3J 9.05
assign (resid 177 and name c ) (resid 178 and name n )
(resid 178 and name ca) (resid 178 and name c ) 1.0 -98 40.0 2
!! F178
assign (resid 178 and name n ) (resid 178 and name ca )
(resid 178 and name c ) (resid 179 and name n ) 1.0 10 40.0 2
!! V179 3J 6.8
assign (resid 178 and name c ) (resid 179 and name n )
(resid 179 and name ca) (resid 179 and name c ) 1.0 -79 40.0 2
!! V179
assign (resid 179 and name n ) (resid 179 and name ca )
(resid 179 and name c ) (resid 180 and name n ) 1.0 140 40.0 2
!! Q180 3J 5.7
assign (resid 179 and name c ) (resid 180 and name n )
(resid 180 and name ca) (resid 180 and name c ) 1.0 -71 40.0 2
!! Q180
assign (resid 180 and name n ) (resid 180 and name ca )
(resid 180 and name c ) (resid 181 and name n ) 1.0 -40 40.0 2
!! K181 3J 5.4
assign (resid 180 and name c ) (resid 181 and name n )
(resid 181 and name ca) (resid 181 and name c ) 1.0 -80 40.0 2
!! K181
assign (resid 181 and name n ) (resid 181 and name ca )
(resid 181 and name c ) (resid 182 and name n ) 1.0 120 40.0 2
!! Q182 3J 8.2
assign (resid 181 and name c ) (resid 182 and name n )
(resid 182 and name ca) (resid 182 and name c ) 1.0 -120 60.0 2
!chi angles for active site - maintain orientation of proteolytic triad residues
!! H40
assign (resid 40 and name n ) (resid 40 and name ca )
(resid 40 and name cb) (resid 40 and name cg ) 1.0 60.0 40.0 2
!! E71 chi 1
assign (resid 71 and name n ) (resid 71 and name ca )
(resid 71 and name cb) (resid 71 and name cg ) 1.0 -180.0 40.0 2
!! E71 chi 2
assign (resid 71 and name ca ) (resid 71 and name cb )
(resid 71 and name cg) (resid 71 and name cd ) 1.0 60.0 40.0 2
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