NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
7253 |
1k45   |
5181 | cing | 1-original | 4 | XPLOR/CNS | dihedral angle |
!cbm_dihedrals.tbl
!########## phi restraints from HNHA
! RESIDUE A 4 , J= 4.77374
!
assign (resid 3 and name C) (resid 4 and name N)
(resid 4 and name CA) (resid 4 and name C) 1.0 -55.0 35.0 2
!
! RESIDUE N 5 , J= 8.69239
!
assign (resid 4 and name C) (resid 5 and name N)
(resid 5 and name CA) (resid 5 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE I 6 , J= 13.596
!
assign (resid 5 and name C) (resid 6 and name N)
(resid 6 and name CA) (resid 6 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE N 7 , J= 6.11963
!
!residue 7 not included (averaging?)
!
! RESIDUE F 10 , J= 5.66175
!
!residue 10 not included (averaging?)
!
! RESIDUE E 11 , J= 2.86137
!
assign (resid 10 and name C) (resid 11 and name N)
(resid 11 and name CA) (resid 11 and name C) 1.0 -55.0 35.0 2
!
! RESIDUE S 12 , J= 8.15305
!
assign (resid 11 and name C) (resid 12 and name N)
(resid 12 and name CA) (resid 12 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE T 13 , J= 7.74555
!
assign (resid 12 and name C) (resid 13 and name N)
(resid 13 and name CA) (resid 13 and name C) 1.0 -120.0 60.0 2
!
! RESIDUE A 15 , J= 4.72889
!
assign (resid 14 and name C) (resid 15 and name N)
(resid 15 and name CA) (resid 15 and name C) 1.0 -55.0 35.0 2
!
! RESIDUE V 17 , J= 4.46059
!
assign (resid 16 and name C) (resid 17 and name N)
(resid 17 and name CA) (resid 17 and name C) 1.0 -55.0 35.0 2
!
! RESIDUE V 18 , J= 3.19734
!
assign (resid 17 and name C) (resid 18 and name N)
(resid 18 and name CA) (resid 18 and name C) 1.0 -55.0 35.0 2
!
! RESIDUE T 19 , J= 11.0969
!
assign (resid 18 and name C) (resid 19 and name N)
(resid 19 and name CA) (resid 19 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE D 20 , J= 8.21905
!
assign (resid 19 and name C) (resid 20 and name N)
(resid 20 and name CA) (resid 20 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE L 21 , J= 3.08751
!
assign (resid 20 and name C) (resid 21 and name N)
(resid 21 and name CA) (resid 21 and name C) 1.0 -55.0 35.0 2
!
! RESIDUE A 22 , J= 7.71926
!
assign (resid 21 and name C) (resid 22 and name N)
(resid 22 and name CA) (resid 22 and name C) 1.0 -120.0 60.0 2
!
! RESIDUE E 23 , J= 8.75936
!
assign (resid 22 and name C) (resid 23 and name N)
(resid 23 and name CA) (resid 23 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE V 25 , J= 9.71751
!
assign (resid 24 and name C) (resid 25 and name N)
(resid 25 and name CA) (resid 25 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE W 28 , J= 8.31734
!
assign (resid 27 and name C) (resid 28 and name N)
(resid 28 and name CA) (resid 28 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE D 29 , J= 8.61496
!
assign (resid 28 and name C) (resid 29 and name N)
(resid 29 and name CA) (resid 29 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE N 31 , J= 9.37264
!
assign (resid 30 and name C) (resid 31 and name N)
(resid 31 and name CA) (resid 31 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE V 32 , J= 9.14176
!
assign (resid 31 and name C) (resid 32 and name N)
(resid 32 and name CA) (resid 32 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE S 35 , J= 5.89843
!
!residue 35 not included (averaging?)
!
! RESIDUE V 36 , J= 6.8514
!
!residue 36 not included (averaging?)
!
! RESIDUE T 37 , J= 7.58164
!
assign (resid 36 and name C) (resid 37 and name N)
(resid 37 and name CA) (resid 37 and name C) 1.0 -120.0 60.0 2
!
! RESIDUE N 38 , J= 9.78903
!
assign (resid 37 and name C) (resid 38 and name N)
(resid 38 and name CA) (resid 38 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE V 41 , J= 9.7186
!
assign (resid 40 and name C) (resid 41 and name N)
(resid 41 and name CA) (resid 41 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE F 42 , J= 8.5414
!
assign (resid 41 and name C) (resid 42 and name N)
(resid 42 and name CA) (resid 42 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE E 43 , J= 7.68186
!
assign (resid 42 and name C) (resid 43 and name N)
(resid 43 and name CA) (resid 43 and name C) 1.0 -120.0 60.0 2
!
! RESIDUE V 44 , J= 9.10521
!
assign (resid 43 and name C) (resid 44 and name N)
(resid 44 and name CA) (resid 44 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE L 45 , J= 8.69281
!
assign (resid 44 and name C) (resid 45 and name N)
(resid 45 and name CA) (resid 45 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE E 46 , J= 7.22345
!
!residue 46 not included (averaging?)
!
! RESIDUE T 47 , J= 8.71179
!
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 50.0 2
!
! RESIDUE A 50 , J= 3.05032
!
assign (resid 49 and name C) (resid 50 and name N)
(resid 50 and name CA) (resid 50 and name C) 1.0 -55.0 35.0 2
!
! RESIDUE E 52 , J= 10.6875
!
assign (resid 51 and name C) (resid 52 and name N)
(resid 52 and name CA) (resid 52 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE N 54 , J= 9.94407
!
assign (resid 53 and name C) (resid 54 and name N)
(resid 54 and name CA) (resid 54 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE K 55 , J= 9.29019
!
assign (resid 54 and name C) (resid 55 and name N)
(resid 55 and name CA) (resid 55 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE V 56 , J= 8.93159
!
assign (resid 55 and name C) (resid 56 and name N)
(resid 56 and name CA) (resid 56 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE L 57 , J= 9.6746
!
assign (resid 56 and name C) (resid 57 and name N)
(resid 57 and name CA) (resid 57 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE A 58 , J= 8.35474
!
assign (resid 57 and name C) (resid 58 and name N)
(resid 58 and name CA) (resid 58 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE V 59 , J= 8.19603
!
assign (resid 58 and name C) (resid 59 and name N)
(resid 59 and name CA) (resid 59 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE T 60 , J= 9.43191
!
assign (resid 59 and name C) (resid 60 and name N)
(resid 60 and name CA) (resid 60 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE V 61 , J= 8.37892
!MANUALLY REMOVED AS DISAGREES WITH TALOS AND IS PARTIALLY OVERLAPPED
!IN HNHA
!
!assign (resid 60 and name C) (resid 61 and name N)
! (resid 61 and name CA) (resid 61 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE N 62 , J= 10.5262
!
assign (resid 61 and name C) (resid 62 and name N)
(resid 62 and name CA) (resid 62 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE V 64 , J= 9.78544
!
assign (resid 63 and name C) (resid 64 and name N)
(resid 64 and name CA) (resid 64 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE W 69 , J= 7.40301
!
!residue 69 not included (averaging?)
!
! RESIDUE D 70 , J= 6.29104
!
!residue 70 not included (averaging?)
!
! RESIDUE I 71 , J= 7.79716
!
assign (resid 70 and name C) (resid 71 and name N)
(resid 71 and name CA) (resid 71 and name C) 1.0 -120.0 60.0 2
!
! RESIDUE E 72 , J= 8.53419
!
assign (resid 71 and name C) (resid 72 and name N)
(resid 72 and name CA) (resid 72 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE T 74 , J= 9.24959
!
assign (resid 73 and name C) (resid 74 and name N)
(resid 74 and name CA) (resid 74 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE F 76 , J= 7.33955
!
!residue 76 not included (averaging?)
!
! RESIDUE V 78 , J= 9.41047
!
assign (resid 77 and name C) (resid 78 and name N)
(resid 78 and name CA) (resid 78 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE N 79 , J= 8.77941
!
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 50.0 2
!
! RESIDUE R 81 , J= 7.98821
!
assign (resid 80 and name C) (resid 81 and name N)
(resid 81 and name CA) (resid 81 and name C) 1.0 -120.0 60.0 2
!
! RESIDUE V 84 , J= 7.98923
!
assign (resid 83 and name C) (resid 84 and name N)
(resid 84 and name CA) (resid 84 and name C) 1.0 -120.0 60.0 2
!
! RESIDUE Y 86 , J= 10.8553
!
assign (resid 85 and name C) (resid 86 and name N)
(resid 86 and name CA) (resid 86 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE T 87 , J= 9.80988
!
assign (resid 86 and name C) (resid 87 and name N)
(resid 87 and name CA) (resid 87 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE I 90 , J= 8.15939
!
assign (resid 89 and name C) (resid 90 and name N)
(resid 90 and name CA) (resid 90 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE W 91 , J= 15.2351
!
assign (resid 90 and name C) (resid 91 and name N)
(resid 91 and name CA) (resid 91 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE A 92 , J= 8.2519
!
assign (resid 91 and name C) (resid 92 and name N)
(resid 92 and name CA) (resid 92 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE A 94 , J= 9.28423
!
assign (resid 93 and name C) (resid 94 and name N)
(resid 94 and name CA) (resid 94 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE E 95 , J= 4.62251
!
assign (resid 94 and name C) (resid 95 and name N)
(resid 95 and name CA) (resid 95 and name C) 1.0 -55.0 35.0 2
!
! RESIDUE Q 96 , J= 10.3868
!
assign (resid 95 and name C) (resid 96 and name N)
(resid 96 and name CA) (resid 96 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE D 97 , J= 2.49923
!
assign (resid 96 and name C) (resid 97 and name N)
(resid 97 and name CA) (resid 97 and name C) 1.0 -55.0 35.0 2
!
! RESIDUE A 99 , J= 7.13367
!
!residue 99 not included (averaging?)
!
! RESIDUE V 100 , J= 6.91924
!
!residue 100 not included (averaging?)
!
! RESIDUE V 101 , J= 7.1926
!
!residue 101 not included (averaging?)
!
! RESIDUE S 102 , J= 10.3989
!
assign (resid 101 and name C) (resid 102 and name N)
(resid 102 and name CA) (resid 102 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE T 104 , J= 11.772
!
assign (resid 103 and name C) (resid 104 and name N)
(resid 104 and name CA) (resid 104 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE V 105 , J= 6.55207
!
!residue 105 not included (averaging?)
!
! RESIDUE N 107 , J= 8.7032
!
assign (resid 106 and name C) (resid 107 and name N)
(resid 107 and name CA) (resid 107 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE S 109 , J= 9.90271
!
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
!
! RESIDUE Q 111 , J= 8.7032
!
assign (resid 110 and name C) (resid 111 and name N)
(resid 111 and name CA) (resid 111 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE E 112 , J= 6.96587
!
!residue 112 not included (averaging?)
!
! RESIDUE Y 113 , J= 8.47733
!
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 50.0 2
!
! RESIDUE R 115 , J= 5.83587
!
!residue 115 not included (averaging?)
!
! RESIDUE I 121 , J= 10.4359
!
assign (resid 120 and name C) (resid 121 and name N)
(resid 121 and name CA) (resid 121 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE T 122 , J= 8.31608
!
assign (resid 121 and name C) (resid 122 and name N)
(resid 122 and name CA) (resid 122 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE T 123 , J= 5.8843
!
!residue 123 not included (averaging?)
!
! RESIDUE F 128 , J= 8.86439
!
assign (resid 127 and name C) (resid 128 and name N)
(resid 128 and name CA) (resid 128 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE T 129 , J= 9.08698
!
assign (resid 128 and name C) (resid 129 and name N)
(resid 129 and name CA) (resid 129 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE F 130 , J= 5.48083
!MANUALLY REMOVED (AND TALOS RESTAINTS) AS HNHA AND TALOS DISAGREE COMPLETELY
!BUT CAN'T SAY WHICH IS WRONG FOR DEFINITE!
!assign (resid 129 and name C) (resid 130 and name N)
! (resid 130 and name CA) (resid 130 and name C) 1.0 -55.0 35.0 2
!
! RESIDUE E 131 , J= 9.79397
!
assign (resid 130 and name C) (resid 131 and name N)
(resid 131 and name CA) (resid 131 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE T 133 , J= 9.79608
!
assign (resid 132 and name C) (resid 133 and name N)
(resid 133 and name CA) (resid 133 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE V 134 , J= 8.21178
!MANUALLY DELETED NEXT RESTRAINT AS DISAGREES WITH TALOS AND IS PARTIALLY
!OVERLAPPED IN HNHA
!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 50.0 2
!
! RESIDUE S 135 , J= 6.83797
!
!residue 135 not included (averaging?)
!
! RESIDUE D 136 , J= 8.29728
!
assign (resid 135 and name C) (resid 136 and name N)
(resid 136 and name CA) (resid 136 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE E 138 , J= 7.60071
!
assign (resid 137 and name C) (resid 138 and name N)
(resid 138 and name CA) (resid 138 and name C) 1.0 -120.0 60.0 2
!
! RESIDUE T 139 , J= 9.3983
!
assign (resid 138 and name C) (resid 139 and name N)
(resid 139 and name CA) (resid 139 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE V 140 , J= 7.63334
!
assign (resid 139 and name C) (resid 140 and name N)
(resid 140 and name CA) (resid 140 and name C) 1.0 -120.0 60.0 2
!
! RESIDUE I 141 , J= 9.20406
!
assign (resid 140 and name C) (resid 141 and name N)
(resid 141 and name CA) (resid 141 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE A 143 , J= 9.31394
!
assign (resid 142 and name C) (resid 143 and name N)
(resid 143 and name CA) (resid 143 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE I 145 , J= 7.18197
!
!residue 145 not included (averaging?)
!
! RESIDUE H 146 , J= 10.402
!
assign (resid 145 and name C) (resid 146 and name N)
(resid 146 and name CA) (resid 146 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE F 147 , J= 8.26953
!
assign (resid 146 and name C) (resid 147 and name N)
(resid 147 and name CA) (resid 147 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE Y 149 , J= 7.78104
!
assign (resid 148 and name C) (resid 149 and name N)
(resid 149 and name CA) (resid 149 and name C) 1.0 -120.0 60.0 2
!
! RESIDUE N 152 , J= 7.2217
!
!residue 152 not included (averaging?)
!
! RESIDUE V 153 , J= 5.24667
!
assign (resid 152 and name C) (resid 153 and name N)
(resid 153 and name CA) (resid 153 and name C) 1.0 -55.0 35.0 2
!
! RESIDUE N 155 , J= 10.9501
!
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
!
! RESIDUE I 157 , J= 11.9348
!
assign (resid 156 and name C) (resid 157 and name N)
(resid 157 and name CA) (resid 157 and name C) 1.0 -120.0 40.0 2
!
! RESIDUE Y 158 , J= 8.84435
!
assign (resid 157 and name C) (resid 158 and name N)
(resid 158 and name CA) (resid 158 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE I 159 , J= 8.41132
!
assign (resid 158 and name C) (resid 159 and name N)
(resid 159 and name CA) (resid 159 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE D 160 , J= 6.39146
!
!residue 160 not included (averaging?)
!
! RESIDUE L 162 , J= 4.84008
!
assign (resid 161 and name C) (resid 162 and name N)
(resid 162 and name CA) (resid 162 and name C) 1.0 -55.0 35.0 2
!
! RESIDUE A 163 , J= 8.55758
!
assign (resid 162 and name C) (resid 163 and name N)
(resid 163 and name CA) (resid 163 and name C) 1.0 -120.0 50.0 2
!
! RESIDUE I 164 , J= 7.86643
!
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 60.0 2
!
! RESIDUE A 165 , J= 7.39013
!
!residue 165 not included (averaging?)
!
! RESIDUE L 170 , J= 7.02389
!
!residue 170 not included (averaging?)
!
! RESIDUE A 171 , J= 6.54863
!
!residue 171 not included (averaging?)
!
! RESIDUE E 173 , J= 7.27931
!
!residue 173 not included (averaging?)
!
! RESIDUE E 176 , J= 7.4266
!
!residue 176 not included (averaging?)
!
! RESIDUE D 177 , J= 7.43341
!
!residue 177 not included (averaging?)
!
! RESIDUE V 178 , J= 6.69644
!
!residue 178 not included (averaging?)
!
! RESIDUE E 179 , J= 6.5474
!
!residue 179 not included (averaging?)
!
!the following dihedral restraints were added (08/05/01) following the anaylsis of the 02/05/01 structure with procheck
assign (resid 1 and name C) (resid 2 and name N)
(resid 2 and name CA) (resid 2 and name C) 1.0 -90.0 90.0 2
assign (resid 33 and name C) (resid 34 and name N)
(resid 34 and name CA) (resid 34 and name C) 1.0 -90.0 90.0 2
assign (resid 47 and name C) (resid 48 and name N)
(resid 48 and name CA) (resid 48 and name C) 1.0 -90.0 90.0 2
assign (resid 48 and name C) (resid 49 and name N)
(resid 49 and name CA) (resid 49 and name C) 1.0 -90.0 90.0 2
assign (resid 68 and name C) (resid 69 and name N)
(resid 69 and name CA) (resid 69 and name C) 1.0 -130.0 90.0 2
!the following dihedral restraints were added (18/05/01) following the anaylsis of the 14/05/01 structure
! with procheck
assign (resid 107 and name C) (resid 108 and name N)
(resid 108 and name CA) (resid 108 and name C) 1.0 -65.0 16.0 2
assign (resid 66 and name C) (resid 67 and name N)
(resid 67 and name CA) (resid 67 and name C) 1.0 -90.0 90.0 2
assign (resid 65 and name C) (resid 66 and name N)
(resid 66 and name CA) (resid 66 and name C) 1.0 -72.0 24.0 2
!the following dihedral restraints were added (01/06/01) following the anaylsis
! of the 31/05/01 structure with procheck and a comparison with talos
assign (resid 46 and name C) (resid 47 and name N)
(resid 47 and name CA) (resid 47 and name C) 1.0 -106.0 38.0 2
assign (resid 47 and name C) (resid 48 and name N)
(resid 48 and name CA) (resid 48 and name C) 1.0 -85.0 38.0 2
Contact the webmaster for help, if required. Thursday, May 16, 2024 5:21:25 AM GMT (wattos1)