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 | subtype | subsubtype |
|
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592079 |
2mu3   |
17899 | cing | 1-original | 4 | XPLOR/CNS | distance | NOE | ambi |
!#############Ambiguous restraints###############
assign ((resid 48 and name HN))
((resid 47 and name HA)
or (resid 48 and name HA))
2.900 1.100 1.100
assign ((resid 140 and name HN)
or (resid 55 and name HN))
((resid 55 and name HB*)
or (resid 139 and name HB*))
2.900 1.100 1.100
assign ((resid 156 and name HN))
((resid 155 and name HA)
or (resid 153 and name HA))
2.900 1.100 1.100 ! incr to 4.0 after round 182w. (47 viol avg 0.236)
assign ((resid 173 and name HN))
((resid 172 and name HA)
or (resid 173 and name HB*))
2.900 1.100 1.100
assign ((resid 92 and name HN))
((resid 92 and name HB*)
or (resid 91 and name HB*))
2.900 1.100 1.100
assign ((resid 117 and name HN))
((resid 116 and name HG)
or (resid 117 and name HG))
2.900 1.100 1.100
assign ((resid 34 and name HN))
((resid 33 and name HA)
or (resid 34 and name HA))
2.900 1.100 1.100
assign ((resid 130 and name HB*)
or (resid 129 and name HB))
((resid 130 and name HN))
2.300 0.500 0.500
assign ((resid 91 and name HN)
or (resid 103 and name HN))
((resid 91 and name HB*)
or (resid 103 and name HB*))
2.300 0.500 0.500
assign ((resid 6 and name HN))
((resid 5 and name HA*)
or (resid 6 and name HA*))
2.900 1.100 1.100
assign ((resid 52 and name HN))
((resid 51 and name HA)
or (resid 52 and name HA))
2.900 1.100 1.100
assign ((resid 194 and name HN)
or (resid 197 and name HN))
((resid 193 and name HA*)
or (resid 196 and name HA*))
3.400 1.600 1.600
assign ((resid 160 and name HA)
or (resid 162 and name HA))
((resid 162 and name HN)
or (resid 160 and name HN))
2.900 1.100 1.100
assign ((resid 72 and name HN))
((resid 71 and name HB)
or (resid 74 and name HB))
2.900 1.100 1.100
assign ((resid 117 and name HN))
((resid 116 and name HA)
or (resid 117 and name HA))
2.900 1.100 1.100
assign ((resid 192 and name HN)
or (resid 197 and name HN))
((resid 197 and name HB*)
or (resid 192 and name HB*))
2.900 1.100 1.100
assign ((resid 142 and name HN))
((resid 142 and name HB*)
or (resid 141 and name HB*))
2.900 1.100 1.100
assign ((resid 167 and name HN)
or (resid 9 and name HN))
((resid 166 and name HA*)
or (resid 8 and name HA*))
2.900 1.100 1.100
assign ((resid 55 and name HN)
or (resid 139 and name HN))
((resid 54 and name HA)
or (resid 138 and name HA))
2.900 1.100 1.100
assign ((resid 11 and name HA*)
or (resid 188 and name HA*)
or (resid 12 and name HA*))
((resid 189 and name HN)
or (resid 12 and name HN))
2.900 1.100 1.100
assign ((resid 153 and name HN)
or (resid 165 and name HN))
((resid 153 and name HB*)
or (resid 165 and name HB*))
2.900 1.100 1.100
assign ((resid 129 and name HN)
or (resid 131 and name HN))
((resid 129 and name HB)
or (resid 130 and name HB*))
2.300 0.500 0.500
assign ((resid 21 and name HN))
((resid 17 and name HD*)
or (resid 21 and name HG*))
2.900 1.100 1.100
assign ((resid 41 and name HE2*)
or (resid 72 and name HE2*))
((resid 41 and name HG*)
or (resid 72 and name HG*))
2.900 1.100 1.100
assign ((resid 35 and name HN)
or (resid 197 and name HN))
((resid 35 and name HB*)
or (resid 197 and name HB*))
2.900 1.100 1.100
assign ((resid 56 and name HN))
((resid 50 and name HA)
or (resid 55 and name HA))
2.900 1.100 1.100
assign ((resid 55 and name HN))
((resid 55 and name HD*)
or (resid 55 and name HG))
3.400 1.600 1.600
assign ((resid 167 and name HN)
or (resid 9 and name HN))
((resid 167 and name HA)
or (resid 9 and name HA))
2.900 1.100 1.100
assign ((resid 165 and name HN)
or (resid 153 and name HN))
((resid 153 and name HA)
or (resid 165 and name HA))
2.300 0.500 0.500
assign ((resid 54 and name HN))
((resid 52 and name HA)
or (resid 51 and name HA))
3.900 2.100 2.100 ! incr to 6.0 after round 13. (63 viol avg 0.516)
assign ((resid 145 and name HB*)
or (resid 143 and name HB*))
((resid 144 and name HN))
2.900 1.100 1.100
assign ((resid 188 and name HN))
((resid 188 and name HA*)
or (resid 187 and name HA*))
2.300 0.500 0.500
assign ((resid 44 and name HN))
((resid 39 and name HG*)
or (resid 74 and name HG*))
3.400 1.600 1.600
assign ((resid 113 and name HN)
or (resid 67 and name HN))
((resid 66 and name HA)
or (resid 113 and name HA))
2.900 1.100 1.100
assign ((resid 150 and name HN)
or (resid 157 and name HN))
((resid 150 and name HB*)
or (resid 157 and name HB*))
2.900 1.100 1.100
assign ((resid 23 and name HN))
((resid 22 and name HA)
or (resid 23 and name HA))
2.900 1.100 1.100
assign ((resid 173 and name HN)
or (resid 176 and name HN))
((resid 172 and name HA)
or (resid 175 and name HA))
2.900 1.100 1.100
assign ((resid 126 and name HN))
((resid 123 and name HA)
or (resid 127 and name HA))
3.400 1.600 1.600 ! incr to 5.0 after round 15. (47 viol avg 0.296)
assign ((resid 71 and name HN))
((resid 71 and name HB)
or (resid 74 and name HB))
2.300 0.500 0.500
assign ((resid 153 and name HA)
or (resid 152 and name HA))
((resid 154 and name HN))
2.900 1.100 1.100
assign ((resid 31 and name HN))
((resid 30 and name HB)
or (resid 30 and name HA))
2.900 1.100 1.100
assign ((resid 26 and name HN)
or (resid 116 and name HN))
((resid 26 and name HA)
or (resid 115 and name HA))
2.900 1.100 1.100
assign ((resid 139 and name HN)
or (resid 55 and name HN))
((resid 139 and name HB*)
or (resid 55 and name HB*))
2.300 0.500 0.500
assign ((resid 46 and name HN))
((resid 45 and name HA)
or (resid 46 and name HA))
2.300 0.500 0.500
assign ((resid 167 and name HN)
or (resid 9 and name HN))
((resid 167 and name HB*)
or (resid 9 and name HB*))
2.900 1.100 1.100
assign ((resid 113 and name HN)
or (resid 124 and name HN))
((resid 112 and name HG*)
or (resid 120 and name HG*))
3.400 1.600 1.600
assign ((resid 65 and name HA)
or (resid 67 and name HA))
((resid 68 and name HN))
2.900 1.100 1.100
assign ((resid 65 and name HN))
((resid 65 and name HB*)
or (resid 64 and name HB*))
2.300 0.500 0.500
assign ((resid 174 and name HN)
or (resid 178 and name HN))
((resid 178 and name HA*)
or (resid 174 and name HA*))
2.900 1.100 1.100
assign ((resid 68 and name HN)
or (resid 21 and name HN))
((resid 20 and name HG*)
or (resid 68 and name HG*))
3.400 1.600 1.600
assign ((resid 43 and name HN))
((resid 42 and name HB*)
or (resid 43 and name HG1*))
2.900 1.100 1.100
assign ((resid 74 and name HN)
or (resid 177 and name HN))
((resid 74 and name HG*)
or (resid 177 and name HG2*))
2.900 1.100 1.100
assign ((resid 66 and name HN))
((resid 67 and name HB*)
or (resid 61 and name HG*))
2.900 1.100 1.100
assign ((resid 11 and name HA*)
or (resid 166 and name HA*))
((resid 166 and name HN)
or (resid 11 and name HN))
2.900 1.100 1.100
assign ((resid 177 and name HN))
((resid 179 and name HA)
or (resid 175 and name HA))
3.400 1.600 1.600 ! incr to 5.0 after round 182w. (66 viol avg 0.265)
assign ((resid 55 and name HN)
or (resid 139 and name HN))
((resid 54 and name HB*)
or (resid 138 and name HB*))
2.900 1.100 1.100
!assign ((resid 10 and name HN))
((resid 84 and name HA)
or (resid 122 and name HB*)
or (resid 92 and name HA))
3.900 2.100 2.100 ! could be commented out due to major violation after round 4
assign ((resid 149 and name HB)
or (resid 164 and name HB))
((resid 164 and name HN)
or (resid 149 and name HN))
2.900 1.100 1.100
assign ((resid 122 and name HN))
((resid 122 and name HA)
or (resid 121 and name HA))
2.300 0.500 0.500
assign ((resid 150 and name HN)
or (resid 157 and name HN))
((resid 150 and name HA)
or (resid 157 and name HA))
2.300 0.500 0.500
assign ((resid 8 and name HN)
or (resid 5 and name HN))
((resid 5 and name HA*)
or (resid 8 and name HA*))
2.900 1.100 1.100
assign ((resid 163 and name HN))
((resid 162 and name HA)
or (resid 163 and name HA))
2.300 0.500 0.500
assign ((resid 144 and name HN))
((resid 143 and name HA)
or (resid 144 and name HA))
2.900 1.100 1.100
assign ((resid 34 and name HN)
or (resid 31 and name HN))
((resid 32 and name HB*))
3.400 1.600 1.600
assign ((resid 113 and name HN))
((resid 110 and name HB*)
or (resid 110 and name HA))
3.400 1.600 1.600 ! incr to 5.0 after round 13. (48 viol avg 0.435)
assign ((resid 164 and name HN)
or (resid 177 and name HN))
((resid 164 and name HG2*)
or (resid 177 and name HG2*))
2.900 1.100 1.100
assign ((resid 104 and name HD2*))
((resid 100 and name HG)
or (resid 108 and name HG))
3.400 1.600 1.600 ! incr to 5.0 after round 15. (38 viol avg 0.389)
assign ((resid 124 and name HN)
or (resid 67 and name HN))
((resid 66 and name HD*)
or (resid 120 and name HG*))
3.400 1.600 1.600
assign ((resid 133 and name HN)
or (resid 87 and name HN))
((resid 133 and name HB*)
or (resid 86 and name HA))
2.900 1.100 1.100
assign ((resid 51 and name HN))
((resid 51 and name HB*)
or (resid 56 and name HB*))
2.300 0.500 0.500
assign ((resid 72 and name HE2*)
or (resid 41 and name HE2*)
or (resid 61 and name HN))
((resid 72 and name HG*)
or (resid 41 and name HG*)
or (resid 61 and name HB))
2.900 1.100 1.100
!Erronous non-ambiguous restraints go through manually and discard or correct (i.e no HB* to HB* found)
!Erronous ambiguous restraints go through manually and discard or correct (i.e no HB* to HB* found)
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