NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
7849 |
1l4w   |
4195 | cing | 1-original | 5 | XPLOR/CNS | dihedral angle |
!###############Psi angles from J-couplings#################
!----------------BTX----------------------------------------
assign (resid 1 and name C)(resid 2 and name N)
(resid 2 and name CA)(resid 2 and name C) 1 -120 20 2
assign (resid 2 and name C)(resid 3 and name N)
(resid 3 and name CA)(resid 3 and name C) 1 -120 50 2
assign (resid 3 and name C)(resid 4 and name N)
(resid 4 and name CA)(resid 4 and name C) 1 -120 50 2
assign (resid 4 and name C)(resid 5 and name N)
(resid 5 and name CA)(resid 5 and name C) 1 -120 50 2
assign (resid 5 and name C)(resid 6 and name N)
(resid 6 and name CA)(resid 6 and name C) 1 -120 50 2
assign (resid 8 and name C)(resid 9 and name N)
(resid 9 and name CA)(resid 9 and name C) 1 -120 50 2
assign (resid 7 and name C)(resid 8 and name N)
(resid 8 and name CA)(resid 8 and name C) 1 -65 25 2
assign (resid 10 and name C)(resid 11 and name N)
(resid 11 and name CA)(resid 11 and name C) 1 -65 25 2
assign (resid 11 and name C)(resid 12 and name N)
(resid 12 and name CA)(resid 12 and name C) 1 -120 20 2
assign (resid 12 and name C)(resid 13 and name N)
(resid 13 and name CA)(resid 13 and name C) 1 -120 50 2
assign (resid 13 and name C)(resid 14 and name N)
(resid 14 and name CA)(resid 14 and name C) 1 -120 20 2
assign (resid 14 and name C)(resid 15 and name N)
(resid 15 and name CA)(resid 15 and name C) 1 -120 50 2
assign (resid 15 and name C)(resid 16 and name N)
(resid 16 and name CA)(resid 16 and name C) 1 -65 25 2
assign (resid 18 and name C)(resid 19 and name N)
(resid 19 and name CA)(resid 19 and name C) 1 -120 50 2
assign (resid 19 and name C)(resid 20 and name N)
(resid 20 and name CA)(resid 20 and name C) 1 -120 50 2
assign (resid 20 and name C)(resid 21 and name N)
(resid 21 and name CA)(resid 21 and name C) 1 -120 50 2
assign (resid 21 and name C)(resid 22 and name N)
(resid 22 and name CA)(resid 22 and name C) 1 -120 50 2
assign (resid 22 and name C)(resid 23 and name N)
(resid 23 and name CA)(resid 23 and name C) 1 -120 50 2
assign (resid 24 and name C)(resid 25 and name N)
(resid 25 and name CA)(resid 25 and name C) 1 -120 50 2
assign (resid 25 and name C)(resid 26 and name N)
(resid 26 and name CA)(resid 26 and name C) 1 -120 50 2
assign (resid 26 and name C)(resid 27 and name N)
(resid 27 and name CA)(resid 27 and name C) 1 -120 50 2
assign (resid 27 and name C)(resid 28 and name N)
(resid 28 and name CA)(resid 28 and name C) 1 -120 50 2
assign (resid 28 and name C)(resid 29 and name N)
(resid 29 and name CA)(resid 29 and name C) 1 -120 50 2
assign (resid 29 and name C)(resid 30 and name N)
(resid 30 and name CA)(resid 30 and name C) 1 -120 20 2
!!!assign (resid 30 and name C)(resid 31 and name N)
!!! (resid 31 and name CA)(resid 31 and name C) 1 -65 25 2
assign (resid 31 and name C)(resid 32 and name N)
(resid 32 and name CA)(resid 32 and name C) 1 -120 50 2
!!!assign (resid 32 and name C)(resid 33 and name N)
!!! (resid 33 and name CA)(resid 33 and name C) 1 -65 25 2
assign (resid 33 and name C)(resid 34 and name N)
(resid 34 and name CA)(resid 34 and name C) 1 -65 25 2
assign (resid 34 and name C)(resid 35 and name N)
(resid 35 and name CA)(resid 35 and name C) 1 -120 20 2
assign (resid 35 and name C)(resid 36 and name N)
(resid 36 and name CA)(resid 36 and name C) 1 -120 50 2
assign (resid 36 and name C)(resid 37 and name N)
(resid 37 and name CA)(resid 37 and name C) 1 -120 50 2
assign (resid 37 and name C)(resid 38 and name N)
(resid 38 and name CA)(resid 38 and name C) 1 -120 50 2
assign (resid 38 and name C)(resid 39 and name N)
(resid 39 and name CA)(resid 39 and name C) 1 -120 50 2
assign (resid 39 and name C)(resid 40 and name N)
(resid 40 and name CA)(resid 40 and name C) 1 -120 20 2
assign (resid 40 and name C)(resid 41 and name N)
(resid 41 and name CA)(resid 41 and name C) 1 -120 50 2
assign (resid 41 and name C)(resid 42 and name N)
(resid 42 and name CA)(resid 42 and name C) 1 -120 50 2
assign (resid 42 and name C)(resid 43 and name N)
(resid 43 and name CA)(resid 43 and name C) 1 -120 50 2
assign (resid 43 and name C)(resid 44 and name N)
(resid 44 and name CA)(resid 44 and name C) 1 -120 50 2
assign (resid 44 and name C)(resid 45 and name N)
(resid 45 and name CA)(resid 45 and name C) 1 -120 50 2
assign (resid 45 and name C)(resid 46 and name N)
(resid 46 and name CA)(resid 46 and name C) 1 -120 50 2
assign (resid 46 and name C)(resid 47 and name N)
(resid 47 and name CA)(resid 47 and name C) 1 -120 50 2
assign (resid 47 and name C)(resid 48 and name N)
(resid 48 and name CA)(resid 48 and name C) 1 -65 25 2
assign (resid 49 and name C)(resid 50 and name N)
(resid 50 and name CA)(resid 50 and name C) 1 -65 25 2
assign (resid 50 and name C)(resid 51 and name N)
(resid 51 and name CA)(resid 51 and name C) 1 -65 25 2
assign (resid 51 and name C)(resid 52 and name N)
(resid 52 and name CA)(resid 52 and name C) 1 -65 25 2
!assign (resid 53 and name C)(resid 54 and name N)
! (resid 54 and name CA)(resid 54 and name C) 1 -120 50 2
assign (resid 54 and name C)(resid 55 and name N)
(resid 55 and name CA)(resid 55 and name C) 1 -120 50 2
assign (resid 55 and name C)(resid 56 and name N)
(resid 56 and name CA)(resid 56 and name C) 1 -120 50 2
assign (resid 56 and name C)(resid 57 and name N)
(resid 57 and name CA)(resid 57 and name C) 1 -120 50 2
assign (resid 57 and name C)(resid 58 and name N)
(resid 58 and name CA)(resid 58 and name C) 1 -120 50 2
assign (resid 58 and name C)(resid 59 and name N)
(resid 59 and name CA)(resid 59 and name C) 1 -120 50 2
assign (resid 59 and name C)(resid 60 and name N)
(resid 60 and name CA)(resid 60 and name C) 1 -120 20 2
assign (resid 60 and name C)(resid 61 and name N)
(resid 61 and name CA)(resid 61 and name C) 1 -120 50 2
assign (resid 61 and name C)(resid 62 and name N)
(resid 62 and name CA)(resid 62 and name C) 1 -120 50 2
assign (resid 62 and name C)(resid 63 and name N)
(resid 63 and name CA)(resid 63 and name C) 1 -65 25 2
assign (resid 64 and name C)(resid 65 and name N)
(resid 65 and name CA)(resid 65 and name C) 1 -65 25 2
assign (resid 65 and name C)(resid 66 and name N)
(resid 66 and name CA)(resid 66 and name C) 1 -120 50 2
assign (resid 69 and name C)(resid 70 and name N)
(resid 70 and name CA)(resid 70 and name C) 1 -120 50 2
assign (resid 70 and name C)(resid 71 and name N)
(resid 71 and name CA)(resid 71 and name C) 1 -120 50 2
assign (resid 73 and name C)(resid 74 and name N)
(resid 74 and name CA)(resid 74 and name C) 1 -65 25 2
!----------------------Peptide--------------------------------
assign (resid 180 and name C)(resid 181 and name N)
(resid 181 and name CA)(resid 181 and name C) 1 -120 50 2
assign (resid 182 and name C)(resid 183 and name N)
(resid 183 and name CA)(resid 183 and name C) 1 -120 20 2
assign (resid 184 and name C)(resid 185 and name N)
(resid 185 and name CA)(resid 185 and name C) 1 -120 20 2
assign (resid 185 and name C)(resid 186 and name N)
(resid 186 and name CA)(resid 186 and name C) 1 -120 20 2
assign (resid 186 and name C)(resid 187 and name N)
(resid 187 and name CA)(resid 187 and name C) 1 -120 20 2
assign (resid 187 and name C)(resid 188 and name N)
(resid 188 and name CA)(resid 188 and name C) 1 -120 50 2
assign (resid 188 and name C)(resid 189 and name N)
(resid 189 and name CA)(resid 189 and name C) 1 -120 20 2
assign (resid 189 and name C)(resid 190 and name N)
(resid 190 and name CA)(resid 190 and name C) 1 -120 20 2
assign (resid 190 and name C)(resid 191 and name N)
(resid 191 and name CA)(resid 191 and name C) 1 -120 50 2
assign (resid 192 and name C)(resid 193 and name N)
(resid 193 and name CA)(resid 193 and name C) 1 -120 50 2
assign (resid 194 and name C)(resid 195 and name N)
(resid 195 and name CA)(resid 195 and name C) 1 -120 50 2
assign (resid 195 and name C)(resid 196 and name N)
(resid 196 and name CA)(resid 196 and name C) 1 -120 20 2
assign (resid 197 and name C)(resid 198 and name N)
(resid 198 and name CA)(resid 198 and name C) 1 -120 20 2
assign (resid 198 and name C)(resid 199 and name N)
(resid 199 and name CA)(resid 199 and name C) 1 -120 20 2
assign (resid 199 and name C)(resid 200 and name N)
(resid 200 and name CA)(resid 200 and name C) 1 -120 50 2
assign (resid 200 and name C)(resid 201 and name N)
(resid 201 and name CA)(resid 201 and name C) 1 -120 50 2
assign (resid 201 and name C)(resid 202 and name N)
(resid 202 and name CA)(resid 202 and name C) 1 -120 50 2
assign (resid 202 and name C)(resid 203 and name N)
(resid 203 and name CA)(resid 203 and name C) 1 -120 50 2
assign (resid 203 and name C)(resid 204 and name N)
(resid 204 and name CA)(resid 204 and name C) 1 -120 50 2
!################################################################
!###############Stereospecific assignment Ksi angles#############
!----------------------BTX---------------------------------------
assign (resid 2 and name HA)(resid 2 and name CA)
(resid 2 and name CB)(resid 2 and name HB) 1 180 30 2
assign (resid 3 and name N)(resid 3 and name CA)
(resid 3 and name CB)(resid 3 and name SG) 1 180 30 2
assign (resid 4 and name N)(resid 4 and name CA)
(resid 4 and name CB)(resid 4 and name CG) 1 -60 30 2
assign (resid 9 and name N)(resid 9 and name CA)
(resid 9 and name CB)(resid 9 and name OG) 1 -60 30 2
assign (resid 11 and name HA)(resid 11 and name CA)
(resid 11 and name CB)(resid 11 and name HB) 1 180 30 2
assign (resid 12 and name N)(resid 12 and name CA)
(resid 12 and name CB)(resid 12 and name OG) 1 60 30 2
assign (resid 16 and name N)(resid 16 and name CA)
(resid 16 and name CB)(resid 16 and name SG) 1 -60 30 2
assign (resid 21 and name N)(resid 21 and name CA)
(resid 21 and name CB)(resid 21 and name CG) 1 -60 30 2
assign (resid 23 and name N)(resid 23 and name CA)
(resid 23 and name CB)(resid 23 and name SG) 1 -60 30 2
assign (resid 24 and name N)(resid 24 and name CA)
(resid 24 and name CB)(resid 24 and name CG) 1 60 30 2
!assign (resid 28 and name N)(resid 28 and name CA)
! (resid 28 and name CB)(resid 28 and name CG) 1 60 30 2
!assign (resid 29 and name N)(resid 29 and name CA)
! (resid 29 and name CB)(resid 29 and name SG) 1 120 90 2
!assign (resid 32 and name N)(resid 32 and name CA)
! (resid 32 and name CB)(resid 32 and name CG) 1 -60 30 2
!assign (resid 34 and name N)(resid 34 and name CA)
! (resid 34 and name CB)(resid 34 and name OG) 1 -120 90 2
assign (resid 35 and name N)(resid 35 and name CA)
(resid 35 and name CB)(resid 35 and name OG) 1 60 30 2
assign (resid 39 and name HA)(resid 39 and name CA)
(resid 39 and name CB)(resid 39 and name HB) 1 180 30 2
assign (resid 40 and name HA)(resid 40 and name CA)
(resid 40 and name CB)(resid 40 and name HB) 1 180 30 2
assign (resid 42 and name N)(resid 42 and name CA)
(resid 42 and name CB)(resid 42 and name CG) 1 -120 90 2
assign (resid 44 and name N)(resid 44 and name CA)
(resid 44 and name CB)(resid 44 and name SG) 1 180 30 2
!assign (resid 48 and name N)(resid 48 and name CA)
! (resid 48 and name CB)(resid 48 and name SG) 1 -120 90 2
assign (resid 50 and name N)(resid 50 and name CA)
(resid 50 and name CB)(resid 50 and name OG) 1 -60 30 2
assign (resid 51 and name N)(resid 51 and name CA)
(resid 51 and name CB)(resid 51 and name CG) 1 60 30 2
assign (resid 55 and name N)(resid 55 and name CA)
(resid 55 and name CB)(resid 55 and name CG) 1 -60 30 2
assign (resid 56 and name N)(resid 56 and name CA)
(resid 56 and name CB)(resid 56 and name CG) 1 180 30 2
assign (resid 59 and name N)(resid 59 and name CA)
(resid 59 and name CB)(resid 59 and name SG) 1 -60 30 2
assign (resid 60 and name N)(resid 60 and name CA)
(resid 60 and name CB)(resid 60 and name SG) 1 60 30 2
assign (resid 63 and name N)(resid 63 and name CA)
(resid 63 and name CB)(resid 63 and name CG) 1 -60 30 2
assign (resid 65 and name N)(resid 65 and name CA)
(resid 65 and name CB)(resid 65 and name SG) 1 60 30 2
assign (resid 66 and name N)(resid 66 and name CA)
(resid 66 and name CB)(resid 66 and name CG) 1 60 30 2
assign (resid 70 and name N)(resid 70 and name CA)
(resid 70 and name CB)(resid 70 and name CG) 1 -120 90 2
assign (resid 71 and name N)(resid 71 and name CA)
(resid 71 and name CB)(resid 71 and name CG) 1 -120 90 2
!--------------------------Peptide--------------------------------
assign (resid 181 and name N)(resid 181 and name CA)
(resid 181 and name CB)(resid 181 and name CG) 1 -120 90 2
assign (resid 182 and name N)(resid 182 and name CA)
(resid 182 and name CB)(resid 182 and name CG) 1 -120 90 2
assign (resid 184 and name N)(resid 184 and name CA)
(resid 184 and name CB)(resid 184 and name CG) 1 60 30 2
assign (resid 186 and name N)(resid 186 and name CA)
(resid 186 and name CB)(resid 186 and name CG) 1 180 30 2
assign (resid 187 and name N)(resid 187 and name CA)
(resid 187 and name CB)(resid 187 and name CG) 1 -120 90 2
assign (resid 188 and name HA)(resid 188 and name CA)
(resid 188 and name CB)(resid 188 and name HB) 1 180 30 2
assign (resid 189 and name N)(resid 189 and name CA)
(resid 189 and name CB)(resid 189 and name CG) 1 -60 30 2
!assign (resid 193 and name N)(resid 193 and name CA)
! (resid 193 and name CB)(resid 193 and name SG) 1 -60 30 2
assign (resid 195 and name N)(resid 195 and name CA)
(resid 195 and name CB)(resid 195 and name CG) 1 -60 30 2
assign (resid 204 and name N)(resid 204 and name CA)
(resid 204 and name CB)(resid 204 and name CG) 1 60 30 2
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