NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
15238 |
1xsb   |
6330 | cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
!! TALOS
!!!##Warn Predictions i.e. from structure Xplornih with RAMA
!! based on the corrected shifts i.e. the Ala were wrong before
!! > 2*S.D. and at least +/-15deg
!!Goods
assign (resid 7 and name C) (resid 8 and name N)
(resid 8 and name CA) (resid 8 and name C) 1.0 -89.0 52.0 2
assign (resid 8 and name N) (resid 8 and name CA)
(resid 8 and name C) (resid 9 and name N) 1.0 127.0 54.0 2
assign (resid 8 and name C) (resid 9 and name N)
(resid 9 and name CA) (resid 9 and name C) 1.0 -97.0 44.0 2
assign (resid 9 and name N) (resid 9 and name CA)
(resid 9 and name C) (resid 10 and name N) 1.0 127.0 15.0 2 !was 12.0
assign (resid 9 and name C) (resid 10 and name N)
(resid 10 and name CA) (resid 10 and name C) 1.0 -123.0 40.0 2
!new
assign (resid 10 and name N) (resid 10 and name CA)
(resid 10 and name C) (resid 11 and name N) 1.0 149.0 32.0 2
!new
assign (resid 10 and name C) (resid 11 and name N)
(resid 11 and name CA) (resid 11 and name C) 1.0 -132.0 44.0 2
assign (resid 11 and name N) (resid 11 and name CA)
(resid 11 and name C) (resid 12 and name N) 1.0 149.0 24.0 2
assign (resid 12 and name C) (resid 13 and name N)
(resid 13 and name CA) (resid 13 and name C) 1.0 -137.0 44.0 2
assign (resid 13 and name N) (resid 13 and name CA)
(resid 13 and name C) (resid 14 and name N) 1.0 143.0 24.0 2
assign (resid 14 and name C) (resid 15 and name N)
(resid 15 and name CA) (resid 15 and name C) 1.0 -101.0 32.0 2
assign (resid 15 and name N) (resid 15 and name CA)
(resid 15 and name C) (resid 16 and name N) 1.0 129.0 16.0 2
assign (resid 15 and name C) (resid 16 and name N)
(resid 16 and name CA) (resid 16 and name C) 1.0 -122.0 32.0 2
assign (resid 16 and name N) (resid 16 and name CA)
(resid 16 and name C) (resid 17 and name N) 1.0 150.0 28.0 2
assign (resid 16 and name C) (resid 17 and name N)
(resid 17 and name CA) (resid 17 and name C) 1.0 -127.0 56.0 2
assign (resid 17 and name N) (resid 17 and name CA)
(resid 17 and name C) (resid 18 and name N) 1.0 150.0 36.0 2
!new DONT put in scattered Phi/Psi in structure
!assign (resid 26 and name C) (resid 27 and name N)
! (resid 27 and name CA) (resid 27 and name C) 1.0 -85.0 36.0 2
!new
!assign (resid 27 and name N) (resid 27 and name CA)
! (resid 27 and name C) (resid 28 and name N) 1.0 141.0 30.0 2
assign (resid 28 and name C) (resid 29 and name N)
(resid 29 and name CA) (resid 29 and name C) 1.0 -101.0 36.0 2
assign (resid 29 and name N) (resid 29 and name CA)
(resid 29 and name C) (resid 30 and name N) 1.0 138.0 26.0 2
assign (resid 29 and name C) (resid 30 and name N)
(resid 30 and name CA) (resid 30 and name C) 1.0 -128.0 48.0 2
assign (resid 30 and name N) (resid 30 and name CA)
(resid 30 and name C) (resid 31 and name N) 1.0 145.0 26.0 2
assign (resid 30 and name C) (resid 31 and name N)
(resid 31 and name CA) (resid 31 and name C) 1.0 -113.0 34.0 2
assign (resid 31 and name N) (resid 31 and name CA)
(resid 31 and name C) (resid 32 and name N) 1.0 129.0 36.0 2
assign (resid 31 and name C) (resid 32 and name N)
(resid 32 and name CA) (resid 32 and name C) 1.0 -94.0 36.0 2
assign (resid 32 and name N) (resid 32 and name CA)
(resid 32 and name C) (resid 33 and name N) 1.0 131.0 24.0 2
assign (resid 32 and name C) (resid 33 and name N)
(resid 33 and name CA) (resid 33 and name C) 1.0 -119.0 52.0 2
assign (resid 33 and name N) (resid 33 and name CA)
(resid 33 and name C) (resid 34 and name N) 1.0 145.0 24.0 2
assign (resid 33 and name C) (resid 34 and name N)
(resid 34 and name CA) (resid 34 and name C) 1.0 -101.0 22.0 2
assign (resid 34 and name N) (resid 34 and name CA)
(resid 34 and name C) (resid 35 and name N) 1.0 124.0 34.0 2
assign (resid 42 and name C) (resid 43 and name N)
(resid 43 and name CA) (resid 43 and name C) 1.0 -108.0 64.0 2
assign (resid 43 and name N) (resid 43 and name CA)
(resid 43 and name C) (resid 44 and name N) 1.0 141.0 38.0 2
!new
assign (resid 43 and name C) (resid 44 and name N)
(resid 44 and name CA) (resid 44 and name C) 1.0 -110.0 64.0 2
!new
assign (resid 44 and name N) (resid 44 and name CA)
(resid 44 and name C) (resid 45 and name N) 1.0 142.0 36.0 2
assign (resid 49 and name C) (resid 50 and name N)
(resid 50 and name CA) (resid 50 and name C) 1.0 -88.0 46.0 2
assign (resid 50 and name N) (resid 50 and name CA)
(resid 50 and name C) (resid 51 and name N) 1.0 124.0 30.0 2
assign (resid 55 and name C) (resid 56 and name N)
(resid 56 and name CA) (resid 56 and name C) 1.0 -61.0 15.0 2 ! was 14
assign (resid 56 and name N) (resid 56 and name CA)
(resid 56 and name C) (resid 57 and name N) 1.0 -40.0 26.0 2
assign (resid 56 and name C) (resid 57 and name N)
(resid 57 and name CA) (resid 57 and name C) 1.0 -66.0 14.0 2 ! was 10
assign (resid 57 and name N) (resid 57 and name CA)
(resid 57 and name C) (resid 58 and name N) 1.0 -38.0 15.0 2 !was 12
assign (resid 57 and name C) (resid 58 and name N)
(resid 58 and name CA) (resid 58 and name C) 1.0 -68.0 16.0 2
assign (resid 58 and name N) (resid 58 and name CA)
(resid 58 and name C) (resid 59 and name N) 1.0 -35.0 15.0 2 !was 12
assign (resid 58 and name C) (resid 59 and name N)
(resid 59 and name CA) (resid 59 and name C) 1.0 -70.0 15.0 2 ! was 10
assign (resid 59 and name N) (resid 59 and name CA)
(resid 59 and name C) (resid 60 and name N) 1.0 -42.0 20.0 2
assign (resid 59 and name C) (resid 60 and name N)
(resid 60 and name CA) (resid 60 and name C) 1.0 -62.0 16.0 2
assign (resid 60 and name N) (resid 60 and name CA)
(resid 60 and name C) (resid 61 and name N) 1.0 -39.0 18.0 2
assign (resid 60 and name C) (resid 61 and name N)
(resid 61 and name CA) (resid 61 and name C) 1.0 -67.0 15.0 2 !was 14
assign (resid 61 and name N) (resid 61 and name CA)
(resid 61 and name C) (resid 62 and name N) 1.0 -36.0 15.0 2 !was 10
assign (resid 61 and name C) (resid 62 and name N)
(resid 62 and name CA) (resid 62 and name C) 1.0 -71.0 15.0 2 ! was 12
assign (resid 62 and name N) (resid 62 and name CA)
(resid 62 and name C) (resid 63 and name N) 1.0 -41.0 15.0 2 ! was 12
assign (resid 62 and name C) (resid 63 and name N)
(resid 63 and name CA) (resid 63 and name C) 1.0 -77.0 36.0 2
assign (resid 63 and name N) (resid 63 and name CA)
(resid 63 and name C) (resid 64 and name N) 1.0 -27.0 44.0 2
assign (resid 63 and name C) (resid 64 and name N)
(resid 64 and name CA) (resid 64 and name C) 1.0 -70.0 15.0 2 ! was 10
assign (resid 64 and name N) (resid 64 and name CA)
(resid 64 and name C) (resid 65 and name N) 1.0 -38.0 28.0 2
assign (resid 64 and name C) (resid 65 and name N)
(resid 65 and name CA) (resid 65 and name C) 1.0 -65.0 15.0 2 !was 14
assign (resid 65 and name N) (resid 65 and name CA)
(resid 65 and name C) (resid 66 and name N) 1.0 -41.0 20.0 2
assign (resid 65 and name C) (resid 66 and name N)
(resid 66 and name CA) (resid 66 and name C) 1.0 -64.0 15.0 2 !was 14
assign (resid 66 and name N) (resid 66 and name CA)
(resid 66 and name C) (resid 67 and name N) 1.0 -34.0 22.0 2
assign (resid 66 and name C) (resid 67 and name N)
(resid 67 and name CA) (resid 67 and name C) 1.0 -78.0 50.0 2
!different to previous was 1.0 28
assign (resid 67 and name N) (resid 67 and name CA)
(resid 67 and name C) (resid 68 and name N) 1.0 -19.0 32.0 2
!new
assign (resid 70 and name C) (resid 71 and name N)
(resid 71 and name CA) (resid 71 and name C) 1.0 -83.0 40.0 2
!new
assign (resid 71 and name N) (resid 71 and name CA)
(resid 71 and name C) (resid 72 and name N) 1.0 150.0 54.0 2
!no 77
assign (resid 82 and name C) (resid 83 and name N)
(resid 83 and name CA) (resid 83 and name C) 1.0 -127.0 40.0 2
assign (resid 83 and name N) (resid 83 and name CA)
(resid 83 and name C) (resid 84 and name N) 1.0 146.0 26.0 2
assign (resid 83 and name C) (resid 84 and name N)
(resid 84 and name CA) (resid 84 and name C) 1.0 -107.0 28.0 2
assign (resid 84 and name N) (resid 84 and name CA)
(resid 84 and name C) (resid 85 and name N) 1.0 121.0 26.0 2
assign (resid 84 and name C) (resid 85 and name N)
(resid 85 and name CA) (resid 85 and name C) 1.0 -105.0 36.0 2
assign (resid 85 and name N) (resid 85 and name CA)
(resid 85 and name C) (resid 86 and name N) 1.0 135.0 18.0 2
assign (resid 85 and name C) (resid 86 and name N)
(resid 86 and name CA) (resid 86 and name C) 1.0 -126.0 36.0 2
assign (resid 86 and name N) (resid 86 and name CA)
(resid 86 and name C) (resid 87 and name N) 1.0 148.0 32.0 2
!no 90
assign (resid 93 and name C) (resid 94 and name N)
(resid 94 and name CA) (resid 94 and name C) 1.0 -110.0 48.0 2
assign (resid 94 and name N) (resid 94 and name CA)
(resid 94 and name C) (resid 95 and name N) 1.0 139.0 24.0 2
!no 95
!new
assign (resid 95 and name C) (resid 96 and name N)
(resid 96 and name CA) (resid 96 and name C) 1.0 -124.0 36.0 2
!new
assign (resid 96 and name N) (resid 96 and name CA)
(resid 96 and name C) (resid 97 and name N) 1.0 140.0 30.0 2
assign (resid 96 and name C) (resid 97 and name N)
(resid 97 and name CA) (resid 97 and name C) 1.0 -109.0 22.0 2
assign (resid 97 and name N) (resid 97 and name CA)
(resid 97 and name C) (resid 98 and name N) 1.0 130.0 18.0 2
assign (resid 98 and name C) (resid 99 and name N)
(resid 99 and name CA) (resid 99 and name C) 1.0 -109.0 48.0 2
assign (resid 99 and name N) (resid 99 and name CA)
(resid 99 and name C) (resid 100 and name N) 1.0 134.0 36.0 2
assign (resid 99 and name C) (resid 100 and name N)
(resid 100 and name CA) (resid 100 and name C) 1.0 -105.0 30.0 2
assign (resid 100 and name N) (resid 100 and name CA)
(resid 100 and name C) (resid 101 and name N) 1.0 128.0 32.0 2
assign (resid 100 and name C) (resid 101 and name N)
(resid 101 and name CA) (resid 101 and name C) 1.0 -132.0 40.0 2
assign (resid 101 and name N) (resid 101 and name CA)
(resid 101 and name C) (resid 102 and name N) 1.0 145.0 32.0 2
assign (resid 107 and name C) (resid 108 and name N)
(resid 108 and name CA) (resid 108 and name C) 1.0 -84.0 46.0 2
assign (resid 108 and name N) (resid 108 and name CA)
(resid 108 and name C) (resid 109 and name N) 1.0 134.0 46.0 2
assign (resid 108 and name C) (resid 109 and name N)
(resid 109 and name CA) (resid 109 and name C) 1.0 -106.0 44.0 2
assign (resid 109 and name N) (resid 109 and name CA)
(resid 109 and name C) (resid 110 and name N) 1.0 117.0 30.0 2
!new
assign (resid 109 and name C) (resid 110 and name N)
(resid 110 and name CA) (resid 110 and name C) 1.0 -96.0 28.0 2
!new
assign (resid 110 and name N) (resid 110 and name CA)
(resid 110 and name C) (resid 111 and name N) 1.0 124.0 60.0 2
!new
assign (resid 110 and name C) (resid 111 and name N)
(resid 111 and name CA) (resid 111 and name C) 1.0 -95.0 44.0 2
!new
assign (resid 111 and name N) (resid 111 and name CA)
(resid 111 and name C) (resid 112 and name N) 1.0 125.0 30.0 2
!new
assign (resid 114 and name C) (resid 115 and name N)
(resid 115 and name CA) (resid 115 and name C) 1.0 -75.0 34.0 2
!new
assign (resid 115 and name N) (resid 115 and name CA)
(resid 115 and name C) (resid 116 and name N) 1.0 -23.0 24.0 2
!new
assign (resid 117 and name C) (resid 118 and name N)
(resid 118 and name CA) (resid 118 and name C) 1.0 -124.0 62.0 2
!new
assign (resid 118 and name N) (resid 118 and name CA)
(resid 118 and name C) (resid 119 and name N) 1.0 135.0 48.0 2
assign (resid 118 and name C) (resid 119 and name N)
(resid 119 and name CA) (resid 119 and name C) 1.0 -119.0 38.0 2
assign (resid 119 and name N) (resid 119 and name CA)
(resid 119 and name C) (resid 120 and name N) 1.0 139.0 38.0 2
assign (resid 119 and name C) (resid 120 and name N)
(resid 120 and name CA) (resid 120 and name C) 1.0 -138.0 44.0 2
assign (resid 120 and name N) (resid 120 and name CA)
(resid 120 and name C) (resid 121 and name N) 1.0 145.0 54.0 2
assign (resid 120 and name C) (resid 121 and name N)
(resid 121 and name CA) (resid 121 and name C) 1.0 -101.0 38.0 2
assign (resid 121 and name N) (resid 121 and name CA)
(resid 121 and name C) (resid 122 and name N) 1.0 130.0 22.0 2
assign (resid 121 and name C) (resid 122 and name N)
(resid 122 and name CA) (resid 122 and name C) 1.0 -123.0 32.0 2
assign (resid 122 and name N) (resid 122 and name CA)
(resid 122 and name C) (resid 123 and name N) 1.0 146.0 28.0 2
assign (resid 123 and name C) (resid 124 and name N)
(resid 124 and name CA) (resid 124 and name C) 1.0 -62.0 15.0 2 !was 14
assign (resid 124 and name N) (resid 124 and name CA)
(resid 124 and name C) (resid 125 and name N) 1.0 -37.0 16.0 2
assign (resid 124 and name C) (resid 125 and name N)
(resid 125 and name CA) (resid 125 and name C) 1.0 -64.0 15.0 2 !was 10
assign (resid 125 and name N) (resid 125 and name CA)
(resid 125 and name C) (resid 126 and name N) 1.0 -40.0 15.0 2 !was 10
assign (resid 125 and name C) (resid 126 and name N)
(resid 126 and name CA) (resid 126 and name C) 1.0 -66.0 15.0 2 ! was 8
assign (resid 126 and name N) (resid 126 and name CA)
(resid 126 and name C) (resid 127 and name N) 1.0 -43.0 16.0 2
assign (resid 126 and name C) (resid 127 and name N)
(resid 127 and name CA) (resid 127 and name C) 1.0 -66.0 15.0 2 ! was 10
assign (resid 127 and name N) (resid 127 and name CA)
(resid 127 and name C) (resid 128 and name N) 1.0 -43.0 15.0 2 !was 12
assign (resid 127 and name C) (resid 128 and name N)
(resid 128 and name CA) (resid 128 and name C) 1.0 -68.0 15.0 2 !was 12
assign (resid 128 and name N) (resid 128 and name CA)
(resid 128 and name C) (resid 129 and name N) 1.0 -39.0 16.0 2
assign (resid 128 and name C) (resid 129 and name N)
(resid 129 and name CA) (resid 129 and name C) 1.0 -66.0 16.0 2
assign (resid 129 and name N) (resid 129 and name CA)
(resid 129 and name C) (resid 130 and name N) 1.0 -38.0 26.0 2
assign (resid 129 and name C) (resid 130 and name N)
(resid 130 and name CA) (resid 130 and name C) 1.0 -62.0 15.0 2 ! was 12
assign (resid 130 and name N) (resid 130 and name CA)
(resid 130 and name C) (resid 131 and name N) 1.0 -45.0 18.0 2
!new
assign (resid 130 and name C) (resid 131 and name N)
(resid 131 and name CA) (resid 131 and name C) 1.0 -64.0 15.0 2 !was 12
!!!new only 6/32 are in this region so remove til later
!assign (resid 131 and name N) (resid 131 and name CA)
! (resid 131 and name C) (resid 132 and name N) 1.0 -38.0 15.0 2 ! was 10
!different was -32 32.0
assign (resid 131 and name C) (resid 132 and name N)
(resid 132 and name CA) (resid 132 and name C) 1.0 -69.0 30.0 2 !was 14
assign (resid 132 and name N) (resid 132 and name CA)
(resid 132 and name C) (resid 133 and name N) 1.0 -41.0 15.0 2 !was 12
assign (resid 132 and name C) (resid 133 and name N)
(resid 133 and name CA) (resid 133 and name C) 1.0 -66.0 15.0 2 !was 8
! Not in talos2.tbl and would violate=> remove
!assign (resid 133 and name N) (resid 133 and name CA)
! (resid 133 and name C) (resid 134 and name N) 1.0 -39.0 26.0 2
assign (resid 133 and name C) (resid 134 and name N)
(resid 134 and name CA) (resid 134 and name C) 1.0 -65.0 18.0 2
assign (resid 134 and name N) (resid 134 and name CA)
(resid 134 and name C) (resid 135 and name N) 1.0 -40.0 15.0 2 ! was 10
assign (resid 134 and name C) (resid 135 and name N)
(resid 135 and name CA) (resid 135 and name C) 1.0 -67.0 26.0 2
assign (resid 135 and name N) (resid 135 and name CA)
(resid 135 and name C) (resid 136 and name N) 1.0 -32.0 34.0 2
assign (resid 135 and name C) (resid 136 and name N)
(resid 136 and name CA) (resid 136 and name C) 1.0 -64.0 15.0 2 !was 8
assign (resid 136 and name N) (resid 136 and name CA)
(resid 136 and name C) (resid 137 and name N) 1.0 -40.0 16.0 2
assign (resid 136 and name C) (resid 137 and name N)
(resid 137 and name CA) (resid 137 and name C) 1.0 -64.0 15.0 2 !was 10
assign (resid 137 and name N) (resid 137 and name CA)
(resid 137 and name C) (resid 138 and name N) 1.0 -45.0 16.0 2
assign (resid 137 and name C) (resid 138 and name N)
(resid 138 and name CA) (resid 138 and name C) 1.0 -64.0 15.0 2 !was 12
assign (resid 138 and name N) (resid 138 and name CA)
(resid 138 and name C) (resid 139 and name N) 1.0 -44.0 16.0 2
assign (resid 138 and name C) (resid 139 and name N)
(resid 139 and name CA) (resid 139 and name C) 1.0 -67.0 15.0 2 !was 12
assign (resid 139 and name N) (resid 139 and name CA)
(resid 139 and name C) (resid 140 and name N) 1.0 -39.0 16.0 2
assign (resid 139 and name C) (resid 140 and name N)
(resid 140 and name CA) (resid 140 and name C) 1.0 -68.0 15.0 2 !was 14
assign (resid 140 and name N) (resid 140 and name CA)
(resid 140 and name C) (resid 141 and name N) 1.0 -40.0 16.0 2
assign (resid 140 and name C) (resid 141 and name N)
(resid 141 and name CA) (resid 141 and name C) 1.0 -63.0 15.0 2 ! was 10
assign (resid 141 and name N) (resid 141 and name CA)
(resid 141 and name C) (resid 142 and name N) 1.0 -36.0 15.0 2 !was 14
assign (resid 141 and name C) (resid 142 and name N)
(resid 142 and name CA) (resid 142 and name C) 1.0 -68.0 15.0 2 !was 14
assign (resid 142 and name N) (resid 142 and name CA)
(resid 142 and name C) (resid 143 and name N) 1.0 -34.0 16.0 2
assign (resid 142 and name C) (resid 143 and name N)
(resid 143 and name CA) (resid 143 and name C) 1.0 -67.0 15.0 2 ! was 8
assign (resid 143 and name N) (resid 143 and name CA)
(resid 143 and name C) (resid 144 and name N) 1.0 -42.0 15.0 2 !was 14
assign (resid 143 and name C) (resid 144 and name N)
(resid 144 and name CA) (resid 144 and name C) 1.0 -67.0 15.0 2 !was 10
assign (resid 144 and name N) (resid 144 and name CA)
(resid 144 and name C) (resid 145 and name N) 1.0 -44.0 16.0 2
assign (resid 144 and name C) (resid 145 and name N)
(resid 145 and name CA) (resid 145 and name C) 1.0 -65.0 15.0 2 !was 8
assign (resid 145 and name N) (resid 145 and name CA)
(resid 145 and name C) (resid 146 and name N) 1.0 -37.0 15.0 2 !was 12
assign (resid 145 and name C) (resid 146 and name N)
(resid 146 and name CA) (resid 146 and name C) 1.0 -65.0 15.0 2 !was 12
assign (resid 146 and name N) (resid 146 and name CA)
(resid 146 and name C) (resid 147 and name N) 1.0 -40.0 15.0 2 !was 12
assign (resid 146 and name C) (resid 147 and name N)
(resid 147 and name CA) (resid 147 and name C) 1.0 -64.0 15.0 2 !was 14
assign (resid 147 and name N) (resid 147 and name CA)
(resid 147 and name C) (resid 148 and name N) 1.0 -40.0 16.0 2
assign (resid 147 and name C) (resid 148 and name N)
(resid 148 and name CA) (resid 148 and name C) 1.0 -66.0 20.0 2
assign (resid 148 and name N) (resid 148 and name CA)
(resid 148 and name C) (resid 149 and name N) 1.0 -32.0 28.0 2
!new REMOVE THE Phi/Psi are all over the place Disordered
!assign (resid 151 and name C) (resid 152 and name N)
! (resid 152 and name CA) (resid 152 and name C) 1.0 -88.8 36.1 2
!new
!assign (resid 152 and name N) (resid 152 and name CA)
! (resid 152 and name C) (resid 153 and name N) 1.0 120.1 26.0 2
!!!Warns i.e. with Pdb from Xplor Run
!remove tail residue stupid to put this in
!assign (resid 2 and name N) (resid 2 and name CA)
! (resid 2 and name C) (resid 3 and name N) 1.0 139.0 22.0 2
assign (resid 11 and name C) (resid 12 and name N)
(resid 12 and name CA) (resid 12 and name C) 1.0 -143.0 44.0 2
assign (resid 12 and name N) (resid 12 and name CA)
(resid 12 and name C) (resid 13 and name N) 1.0 160.0 30.0 2
assign (resid 13 and name C) (resid 14 and name N)
(resid 14 and name CA) (resid 14 and name C) 1.0 -102.0 50.0 2
assign (resid 14 and name N) (resid 14 and name CA)
(resid 14 and name C) (resid 15 and name N) 1.0 109.0 16.0 2
assign (resid 17 and name C) (resid 18 and name N)
(resid 18 and name CA) (resid 18 and name C) 1.0 -97.0 38.0 2
!new
assign (resid 18 and name N) (resid 18 and name CA)
(resid 18 and name C) (resid 19 and name N) 1.0 141.0 40.0 2
!new
assign (resid 18 and name C) (resid 19 and name N)
(resid 19 and name CA) (resid 19 and name C) 1.0 -80.0 30.0 2
!new
assign (resid 19 and name N) (resid 19 and name CA)
(resid 19 and name C) (resid 20 and name N) 1.0 130.0 30.0 2
!new
assign (resid 20 and name C) (resid 21 and name N)
(resid 21 and name CA) (resid 21 and name C) 1.0 -111.0 60.0 2
assign (resid 21 and name N) (resid 21 and name CA)
(resid 21 and name C) (resid 22 and name N) 1.0 137.0 60.0 2
assign (resid 23 and name C) (resid 24 and name N)
(resid 24 and name CA) (resid 24 and name C) 1.0 -92.0 42.0 2
assign (resid 24 and name N) (resid 24 and name CA)
(resid 24 and name C) (resid 25 and name N) 1.0 -5.0 40.0 2
!new
assign (resid 34 and name C) (resid 35 and name N)
(resid 35 and name CA) (resid 35 and name C) 1.0 -91.0 46.0 2
!new
assign (resid 35 and name N) (resid 35 and name CA)
(resid 35 and name C) (resid 36 and name N) 1.0 127.0 54.0 2
assign (resid 39 and name C) (resid 40 and name N)
(resid 40 and name CA) (resid 40 and name C) 1.0 -69.0 32.0 2
assign (resid 40 and name N) (resid 40 and name CA)
(resid 40 and name C) (resid 41 and name N) 1.0 -28.0 36.0 2
!NO 44
assign (resid 45 and name N) (resid 45 and name CA)
(resid 45 and name C) (resid 46 and name N) 1.0 145.0 34.0 2
assign (resid 46 and name C) (resid 47 and name N)
(resid 47 and name CA) (resid 47 and name C) 1.0 -103.0 44.0 2
assign (resid 47 and name N) (resid 47 and name CA)
(resid 47 and name C) (resid 48 and name N) 1.0 133.0 64.0 2
assign (resid 48 and name C) (resid 49 and name N)
(resid 49 and name CA) (resid 49 and name C) 1.0 -98.0 46.0 2
assign (resid 49 and name N) (resid 49 and name CA)
(resid 49 and name C) (resid 50 and name N) 1.0 148.0 62.0 2
assign (resid 53 and name C) (resid 54 and name N)
(resid 54 and name CA) (resid 54 and name C) 1.0 -83.0 36.0 2
assign (resid 54 and name N) (resid 54 and name CA)
(resid 54 and name C) (resid 55 and name N) 1.0 146.0 42.0 2
!new
assign (resid 54 and name C) (resid 55 and name N)
(resid 55 and name CA) (resid 55 and name C) 1.0 -85.0 28.0 2
!new
assign (resid 55 and name N) (resid 55 and name CA)
(resid 55 and name C) (resid 56 and name N) 1.0 135.0 54.0 2
assign (resid 69 and name C) (resid 70 and name N)
(resid 70 and name CA) (resid 70 and name C) 1.0 -89.0 30.0 2
assign (resid 70 and name N) (resid 70 and name CA)
(resid 70 and name C) (resid 71 and name N) 1.0 128.0 82.0 2
!no 76
assign (resid 76 and name C) (resid 77 and name N)
(resid 77 and name CA) (resid 77 and name C) 1.0 -93.0 42.0 2
assign (resid 77 and name N) (resid 77 and name CA)
(resid 77 and name C) (resid 78 and name N) 1.0 124.0 32.0 2
assign (resid 77 and name C) (resid 78 and name N)
(resid 78 and name CA) (resid 78 and name C) 1.0 -88.0 34.0 2
assign (resid 78 and name N) (resid 78 and name CA)
(resid 78 and name C) (resid 79 and name N) 1.0 115.0 52.0 2
assign (resid 78 and name C) (resid 79 and name N)
(resid 79 and name CA) (resid 79 and name C) 1.0 -90.0 74.0 2
assign (resid 79 and name N) (resid 79 and name CA)
(resid 79 and name C) (resid 80 and name N) 1.0 119.0 32.0 2
assign (resid 80 and name C) (resid 81 and name N)
(resid 81 and name CA) (resid 81 and name C) 1.0 -112.0 42.0 2
assign (resid 81 and name N) (resid 81 and name CA)
(resid 81 and name C) (resid 82 and name N) 1.0 137.0 54.0 2
assign (resid 81 and name C) (resid 82 and name N)
(resid 82 and name CA) (resid 82 and name C) 1.0 -99.0 58.0 2
assign (resid 82 and name N) (resid 82 and name CA)
(resid 82 and name C) (resid 83 and name N) 1.0 124.0 36.0 2
assign (resid 86 and name C) (resid 87 and name N)
(resid 87 and name CA) (resid 87 and name C) 1.0 -117.0 48.0 2
assign (resid 87 and name N) (resid 87 and name CA)
(resid 87 and name C) (resid 88 and name N) 1.0 138.0 40.0 2
assign (resid 87 and name C) (resid 88 and name N)
(resid 88 and name CA) (resid 88 and name C) 1.0 -99.0 64.0 2
!was 129 16.0
assign (resid 88 and name N) (resid 88 and name CA)
(resid 88 and name C) (resid 89 and name N) 1.0 108.0 36.0 2
!new
assign (resid 89 and name C) (resid 90 and name N)
(resid 90 and name CA) (resid 90 and name C) 1.0 -83.0 44.0 2
!new
assign (resid 90 and name N) (resid 90 and name CA)
(resid 90 and name C) (resid 91 and name N) 1.0 -29.0 36.0 2
assign (resid 91 and name C) (resid 92 and name N)
(resid 92 and name CA) (resid 92 and name C) 1.0 -112.0 68.0 2
assign (resid 92 and name N) (resid 92 and name CA)
(resid 92 and name C) (resid 93 and name N) 1.0 133.0 46.0 2
!new PROLINE REMOVE
!assign (resid 93 and name N) (resid 93 and name CA)
! (resid 93 and name C) (resid 94 and name N) 1.0 128.0 40.0 2
!new
assign (resid 94 and name C) (resid 95 and name N)
(resid 95 and name CA) (resid 95 and name C) 1.0 -112.0 44.0 2
!new
assign (resid 95 and name N) (resid 95 and name CA)
(resid 95 and name C) (resid 96 and name N) 1.0 136.0 36.0 2
assign (resid 97 and name C) (resid 98 and name N)
(resid 98 and name CA) (resid 98 and name C) 1.0 -115.0 40.0 2
assign (resid 98 and name N) (resid 98 and name CA)
(resid 98 and name C) (resid 99 and name N) 1.0 147.0 18.0 2
assign (resid 101 and name C) (resid 102 and name N)
(resid 102 and name CA) (resid 102 and name C) 1.0 -101.0 30.0 2
assign (resid 102 and name N) (resid 102 and name CA)
(resid 102 and name C) (resid 103 and name N) 1.0 125.0 44.0 2
assign (resid 102 and name C) (resid 103 and name N)
(resid 103 and name CA) (resid 103 and name C) 1.0 -88.0 15.0 2 !was 14
assign (resid 103 and name N) (resid 103 and name CA)
(resid 103 and name C) (resid 104 and name N) 1.0 149.0 64.0 2
assign (resid 103 and name C) (resid 104 and name N)
(resid 104 and name CA) (resid 104 and name C) 1.0 -83.0 26.0 2
assign (resid 104 and name N) (resid 104 and name CA)
(resid 104 and name C) (resid 105 and name N) 1.0 -22.0 38.0 2
assign (resid 104 and name C) (resid 105 and name N)
(resid 105 and name CA) (resid 105 and name C) 1.0 -105.0 52.0 2
assign (resid 105 and name N) (resid 105 and name CA)
(resid 105 and name C) (resid 106 and name N) 1.0 125.0 46.0 2
assign (resid 105 and name C) (resid 106 and name N)
(resid 106 and name CA) (resid 106 and name C) 1.0 -63.0 24.0 2
assign (resid 106 and name N) (resid 106 and name CA)
(resid 106 and name C) (resid 107 and name N) 1.0 -31.0 15.0 2 !was 8
assign (resid 106 and name C) (resid 107 and name N)
(resid 107 and name CA) (resid 107 and name C) 1.0 -104.0 20.0 2
assign (resid 107 and name N) (resid 107 and name CA)
(resid 107 and name C) (resid 108 and name N) 1.0 11.0 28.0 2
assign (resid 111 and name C) (resid 112 and name N)
(resid 112 and name CA) (resid 112 and name C) 1.0 -101.0 84.0 2
assign (resid 112 and name N) (resid 112 and name CA)
(resid 112 and name C) (resid 113 and name N) 1.0 148.0 58.0 2
!new
assign (resid 113 and name C) (resid 114 and name N)
(resid 114 and name CA) (resid 114 and name C) 1.0 -83.0 38.0 2
!new
assign (resid 114 and name N) (resid 114 and name CA)
(resid 114 and name C) (resid 115 and name N) 1.0 -18.0 48.0 2
!new
assign (resid 115 and name C) (resid 116 and name N)
(resid 116 and name CA) (resid 116 and name C) 1.0 -122.0 62.0 2
!new
assign (resid 116 and name N) (resid 116 and name CA)
(resid 116 and name C) (resid 117 and name N) 1.0 145.0 42.0 2
!
!149 was -83 40.0
!149 was -20 38.0 Added this from old list
!
assign (resid 148 and name C) (resid 149 and name N)
(resid 149 and name CA) (resid 149 and name C) 1.0 -83.0 40.0 2
!
assign (resid 149 and name N) (resid 149 and name CA)
(resid 149 and name C) (resid 150 and name N) 1.0 -20.0 38.0 2
!
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