NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
592077 |
2mu3   |
17899 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
!#############Ambiguous restraints###############
assign ((resid 28 and name HA)
or (resid 28 and name HB))
((resid 30 and name HN))
2.900 1.100 1.100
assign ((resid 55 and name HN)
or (resid 139 and name HN))
((resid 140 and name HG2*)
or (resid 127 and name HD*)
or (resid 129 and name HD1*))
2.900 1.100 1.100
assign ((resid 51 and name HN))
((resid 48 and name HG*)
or (resid 129 and name HG2*))
2.900 1.100 1.100
assign ((resid 54 and name HN))
((resid 54 and name HB*)
or (resid 53 and name HA))
2.300 0.500 0.500
assign ((resid 104 and name HD2*))
((resid 92 and name HA)
or (resid 92 and name HB*)
or (resid 109 and name HA*))
3.400 1.600 1.600 ! incr to 5.0 after round 12. (48 viol avg 0.583)
assign ((resid 121 and name HN))
((resid 122 and name HB*)
or (resid 119 and name HA*))
2.900 1.100 1.100 ! incr to 4.0 after round 5. (68 viol avg 0.360)
assign ((resid 72 and name HN))
((resid 75 and name HB*)
or (resid 68 and name HA))
2.900 1.100 1.100 ! incr to 4.0 after round 9. (64 viol avg 0.853)
assign ((resid 143 and name HN))
((resid 142 and name HB*)
or (resid 144 and name HB*))
2.900 1.100 1.100
assign ((resid 70 and name HN)
or (resid 71 and name HN))
((resid 68 and name HN))
2.900 1.100 1.100
assign ((resid 109 and name HN))
((resid 108 and name HB*)
or (resid 105 and name HG1*))
2.900 1.100 1.100
assign ((resid 136 and name HN))
((resid 140 and name HN)
or (resid 132 and name HN))
3.900 2.100 2.100 ! incr to 6.0 after round 192. (39 viol avg 0.148)
!assign ((resid 118 and name HN))
((resid 120 and name HA)
or (resid 112 and name HA))
3.900 2.100 2.100 ! could be commented out due to major violation after round 12
!assign (resid 118 and name HN) (resid 112 and name HA) 3.900 2.100 2.100 ! could be commented out due to major violation after round 14
assign ((resid 106 and name HN)
or (resid 62 and name HN))
((resid 62 and name HB*)
or (resid 106 and name HB*))
2.300 0.500 0.500
assign ((resid 67 and name HN)
or (resid 52 and name HN))
((resid 70 and name HB*)
or (resid 71 and name HG*))
3.400 1.600 1.600
assign ((resid 10 and name HN))
((resid 113 and name HN)
or (resid 117 and name HN))
3.900 2.100 2.100 ! incr to 6.0 after round 2. (85 viol avg 0.709)
assign ((resid 117 and name HN))
((resid 113 and name HD*)
or (resid 120 and name HG*))
2.900 1.100 1.100
assign ((resid 119 and name HN))
((resid 120 and name HG*)
or (resid 117 and name HD*))
2.900 1.100 1.100
assign ((resid 16 and name HN))
((resid 17 and name HA)
or (resid 12 and name HA*)
or (resid 15 and name HA))
2.900 1.100 1.100
!assign ((resid 85 and name HN))
((resid 34 and name HN)
or (resid 31 and name HN))
3.900 2.100 2.100 ! could be commented out due to major violation after round 4
assign ((resid 173 and name HN)
or (resid 176 and name HN))
((resid 173 and name HA)
or (resid 175 and name HA))
2.900 1.100 1.100
assign ((resid 42 and name HN))
((resid 42 and name HA)
or (resid 40 and name HB*))
2.900 1.100 1.100
assign ((resid 10 and name HN))
((resid 11 and name HA*)
or (resid 12 and name HA*))
3.400 1.600 1.600 ! incr to 5.0 after round 2. (89 viol avg 0.967)
assign ((resid 127 and name HN))
((resid 129 and name HD1*)
or (resid 127 and name HD*))
2.900 1.100 1.100
assign ((resid 141 and name HN)
or (resid 138 and name HN))
((resid 139 and name HB*))
3.400 1.600 1.600
assign ((resid 111 and name HN))
((resid 111 and name HA)
or (resid 110 and name HA))
2.900 1.100 1.100
assign ((resid 16 and name HN))
((resid 15 and name HB*)
or (resid 13 and name HB*))
2.900 1.100 1.100
assign ((resid 14 and name HN))
((resid 14 and name HA)
or (resid 13 and name HA))
2.300 0.500 0.500
assign ((resid 147 and name HN))
((resid 145 and name HA)
or (resid 146 and name HA))
2.900 1.100 1.100
assign ((resid 116 and name HN)
or (resid 26 and name HN))
((resid 113 and name HD*)
or (resid 31 and name HD*))
2.900 1.100 1.100
assign ((resid 53 and name HA)
or (resid 60 and name HA*))
((resid 62 and name HN))
3.400 1.600 1.600 ! incr to 5.0 after round 13. (78 viol avg 0.490)
assign ((resid 123 and name HN))
((resid 119 and name HA*)
or (resid 117 and name HA)
or (resid 121 and name HB*))
3.400 1.600 1.600 ! incr to 5.0 after round 5. (63 viol avg 0.356)
assign ((resid 67 and name HN)
or (resid 42 and name HN))
((resid 65 and name HA)
or (resid 40 and name HA))
2.900 1.100 1.100
assign ((resid 85 and name HN))
((resid 86 and name HN)
or (resid 86 and name HH))
2.900 1.100 1.100
assign ((resid 43 and name HN))
((resid 42 and name HB*)
or (resid 43 and name HB))
2.300 0.500 0.500
assign ((resid 52 and name HN)
or (resid 113 and name HN))
((resid 113 and name HB*)
or (resid 52 and name HB*))
2.300 0.500 0.500
assign ((resid 26 and name HN))
((resid 26 and name HA)
or (resid 24 and name HA))
2.900 1.100 1.100
assign ((resid 147 and name HN)
or (resid 141 and name HN))
((resid 144 and name HN))
3.400 1.600 1.600 ! incr to 5.0 after round 12. (59 viol avg 0.519)
assign ((resid 108 and name HN))
((resid 109 and name HA*)
or (resid 107 and name HB))
2.900 1.100 1.100
assign ((resid 161 and name HN))
((resid 161 and name HA)
or (resid 160 and name HA))
2.900 1.100 1.100
!assign ((resid 37 and name HN))
((resid 82 and name HA)
or (resid 104 and name HA))
3.900 2.100 2.100 ! could be commented out due to major violation after round 3
assign ((resid 142 and name HN))
((resid 141 and name HA)
or (resid 142 and name HA))
2.900 1.100 1.100
assign ((resid 142 and name HN))
((resid 141 and name HB*)
or (resid 142 and name HB*))
2.300 0.500 0.500
assign ((resid 116 and name HN))
((resid 117 and name HG)
or (resid 113 and name HB*))
3.400 1.600 1.600 ! incr to 5.0 after round 2. (58 viol avg 0.716)
assign ((resid 23 and name HN))
((resid 21 and name HG*)
or (resid 31 and name HD*))
2.900 1.100 1.100
assign ((resid 110 and name HN))
((resid 108 and name HG)
or (resid 117 and name HG))
3.400 1.600 1.600 ! incr to 5.0 after round 11. (64 viol avg 0.689)
assign ((resid 157 and name HN)
or (resid 150 and name HN))
((resid 150 and name HB*)
or (resid 157 and name HB*))
2.300 0.500 0.500
assign ((resid 20 and name HN))
((resid 24 and name HB*)
or (resid 18 and name HB))
3.400 1.600 1.600 ! incr to 5.0 after round 192. (37 viol avg 0.234)
assign ((resid 157 and name HN)
or (resid 170 and name HN))
((resid 169 and name HB*)
or (resid 156 and name HB*))
2.900 1.100 1.100
assign ((resid 110 and name HN))
((resid 110 and name HA)
or (resid 109 and name HA*))
2.300 0.500 0.500
assign ((resid 40 and name HN))
((resid 40 and name HB*)
or (resid 40 and name HA))
2.900 1.100 1.100
assign ((resid 44 and name HN))
((resid 40 and name HB*)
or (resid 42 and name HA))
3.400 1.600 1.600 ! incr to 5.0 after round 11. (61 viol avg 0.678)
assign ((resid 56 and name HN)
or (resid 146 and name HN))
((resid 145 and name HB*)
or (resid 56 and name HA)
or (resid 55 and name HA))
2.300 0.500 0.500
assign ((resid 43 and name HN))
((resid 44 and name HN)
or (resid 42 and name HN))
2.300 0.500 0.500
assign ((resid 27 and name HN))
((resid 28 and name HA)
or (resid 145 and name HA))
3.900 2.100 2.100 ! incr to 6.0 after round 162. (36 viol avg 0.283)
assign ((resid 134 and name HA*)
or (resid 133 and name HB*))
((resid 132 and name HN))
3.900 2.100 2.100 ! incr to 6.0 after round 182w. (64 viol avg 0.169)
assign ((resid 22 and name HN)
or (resid 82 and name HN))
((resid 19 and name HA)
or (resid 81 and name HA)
or (resid 83 and name HA)
or (resid 85 and name HA)
or (resid 20 and name HA))
2.900 1.100 1.100 ! incr to 4.0 after round 12. (52 viol avg 0.367)
assign ((resid 73 and name HN))
((resid 75 and name HB*)
or (resid 70 and name HA))
3.400 1.600 1.600 ! incr to 5.0 after round 5. (60 viol avg 0.439)
!assign ((resid 92 and name HN))
((resid 21 and name HB)
or (resid 96 and name HB*))
3.900 2.100 2.100 ! could be commented out due to major violation after round 13
assign (resid 92 and name HN) (resid 21 and name HB) 3.900 2.100 2.100 ! could be commented out due to major violation after round 15
assign ((resid 26 and name HN)
or (resid 116 and name HN))
((resid 9 and name HB*)
or (resid 26 and name HB*))
2.300 0.500 0.500
assign ((resid 120 and name HN))
((resid 117 and name HA)
or (resid 119 and name HA*))
2.900 1.100 1.100
assign ((resid 197 and name HN)
or (resid 192 and name HN))
((resid 192 and name HB*)
or (resid 197 and name HB*))
2.900 1.100 1.100
assign ((resid 129 and name HN)
or (resid 89 and name HN))
((resid 89 and name HB*)
or (resid 129 and name HG1*))
2.300 0.500 0.500
assign ((resid 140 and name HN))
((resid 136 and name HB)
or (resid 137 and name HB*))
3.400 1.600 1.600
assign ((resid 40 and name HN))
((resid 43 and name HB)
or (resid 42 and name HB*))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (53 viol avg 0.690)
!assign ((resid 120 and name HN))
((resid 51 and name HB*)
or (resid 97 and name HB*))
3.900 2.100 2.100 ! could be commented out due to major violation after round 3
assign ((resid 160 and name HN)
or (resid 114 and name HN))
((resid 160 and name HA)
or (resid 114 and name HA))
2.900 1.100 1.100
assign ((resid 84 and name HN)
or (resid 23 and name HN))
((resid 83 and name HN)
or (resid 22 and name HN))
2.900 1.100 1.100
assign ((resid 51 and name HN))
((resid 56 and name HN)
or (resid 48 and name HN))
3.400 1.600 1.600 ! incr to 5.0 after round 15. (42 viol avg 0.347)
assign ((resid 146 and name HN))
((resid 146 and name HA)
or (resid 145 and name HA))
2.300 0.500 0.500
assign ((resid 128 and name HN))
((resid 129 and name HB)
or (resid 123 and name HB*))
3.400 1.600 1.600 ! incr to 5.0 after round 13. (49 viol avg 0.476)
assign ((resid 117 and name HN)
or (resid 4 and name HN))
((resid 3 and name HB*)
or (resid 117 and name HB*)
or (resid 4 and name HB*))
2.900 1.100 1.100
assign ((resid 18 and name HN)
or (resid 17 and name HN))
((resid 14 and name HN))
3.400 1.600 1.600
assign ((resid 86 and name HN)
or (resid 86 and name HH))
((resid 87 and name HN))
3.400 1.600 1.600 ! incr to 5.0 after round 192. (45 viol avg 0.246)
assign ((resid 102 and name HN))
((resid 105 and name HD1*)
or (resid 17 and name HD*)
or (resid 99 and name HG*))
3.900 2.100 2.100 ! incr to 6.0 after round 5. (59 viol avg 0.377)
assign ((resid 44 and name HN))
((resid 45 and name HA)
or (resid 86 and name HA))
3.400 1.600 1.600 ! incr to 5.0 after round 5. (89 viol avg 0.438)
assign ((resid 87 and name HN)
or (resid 116 and name HN))
((resid 114 and name HB*)
or (resid 87 and name HA)
or (resid 116 and name HA))
2.300 0.500 0.500
assign ((resid 55 and name HN))
((resid 54 and name HB*)
or (resid 55 and name HA))
2.300 0.500 0.500
assign ((resid 73 and name HN))
((resid 73 and name HA)
or (resid 72 and name HA))
2.900 1.100 1.100
assign ((resid 67 and name HN)
or (resid 113 and name HN))
((resid 66 and name HD*)
or (resid 112 and name HG*))
2.900 1.100 1.100
assign ((resid 4 and name HA)
or (resid 164 and name HA))
((resid 166 and name HN)
or (resid 8 and name HN))
2.900 1.100 1.100
assign ((resid 101 and name HN))
((resid 21 and name HG*)
or (resid 100 and name HG))
2.900 1.100 1.100
assign ((resid 72 and name HN))
((resid 74 and name HA)
or (resid 67 and name HA))
3.900 2.100 2.100 ! incr to 6.0 after round 14. (58 viol avg 0.500)
assign ((resid 159 and name HA)
or (resid 158 and name HA))
((resid 159 and name HN))
2.900 1.100 1.100
assign ((resid 129 and name HG2*)
or (resid 131 and name HG*))
((resid 131 and name HN)
or (resid 129 and name HN))
2.300 0.500 0.500
assign ((resid 71 and name HN))
((resid 72 and name HA)
or (resid 66 and name HA))
3.400 1.600 1.600 ! incr to 5.0 after round 7. (96 viol avg 0.329)
assign ((resid 9 and name HN)
or (resid 167 and name HN))
((resid 167 and name HB*)
or (resid 9 and name HB*))
2.300 0.500 0.500
assign ((resid 143 and name HN)
or (resid 65 and name HN))
((resid 142 and name HA)
or (resid 65 and name HA))
2.300 0.500 0.500
assign ((resid 167 and name HA)
or (resid 170 and name HA))
((resid 169 and name HN))
2.900 1.100 1.100
assign ((resid 35 and name HN))
((resid 35 and name HB*)
or (resid 35 and name HD*))
2.900 1.100 1.100
assign ((resid 121 and name HA)
or (resid 145 and name HA))
((resid 145 and name HN)
or (resid 122 and name HN))
2.300 0.500 0.500
!assign ((resid 92 and name HN))
((resid 17 and name HD*)
or (resid 99 and name HG*))
3.900 2.100 2.100 ! could be commented out due to major violation after round 23
assign ((resid 109 and name HN))
((resid 113 and name HD*)
or (resid 112 and name HG*))
2.900 1.100 1.100
assign ((resid 81 and name HN)
or (resid 24 and name HN))
((resid 82 and name HN)
or (resid 22 and name HN))
2.900 1.100 1.100
assign ((resid 187 and name HN)
or (resid 5 and name HN))
((resid 4 and name HA)
or (resid 186 and name HA))
2.900 1.100 1.100
assign ((resid 173 and name HN))
((resid 172 and name HA)
or (resid 173 and name HA))
2.300 0.500 0.500
assign ((resid 126 and name HN))
((resid 123 and name HA)
or (resid 125 and name HA))
2.900 1.100 1.100
assign ((resid 90 and name HN))
((resid 93 and name HB*)
or (resid 18 and name HB))
3.400 1.600 1.600 ! incr to 5.0 after round 1. (60 viol avg 0.791)
assign ((resid 124 and name HN))
((resid 123 and name HN)
or (resid 125 and name HN))
2.900 1.100 1.100 ! incr to 4.0 after round 22. (47 viol avg 0.134)
!assign ((resid 95 and name HN)
or (resid 68 and name HN))
((resid 62 and name HN)
or (resid 22 and name HN)
or (resid 37 and name HN))
3.900 2.100 2.100 ! could be commented out due to major violation after round 5
assign ((resid 29 and name HN))
((resid 34 and name HA)
or (resid 30 and name HB))
3.900 2.100 2.100 ! incr to 6.0 after round 1. (70 viol avg 0.714)
assign ((resid 124 and name HN)
or (resid 113 and name HN))
((resid 113 and name HD*)
or (resid 120 and name HG*))
2.900 1.100 1.100
assign ((resid 59 and name HN))
((resid 61 and name HG*)
or (resid 59 and name HD*))
2.900 1.100 1.100
assign ((resid 76 and name HN))
((resid 75 and name HA)
or (resid 76 and name HA))
2.900 1.100 1.100
assign ((resid 45 and name HN))
((resid 43 and name HD1*)
or (resid 48 and name HG*))
2.900 1.100 1.100
assign ((resid 69 and name HN)
or (resid 94 and name HN))
((resid 68 and name HN)
or (resid 95 and name HN))
2.300 0.500 0.500
assign ((resid 162 and name HN))
((resid 159 and name HA)
or (resid 161 and name HA))
2.900 1.100 1.100
assign ((resid 43 and name HN))
((resid 42 and name HA)
or (resid 40 and name HB*))
3.400 1.600 1.600
assign ((resid 42 and name HN)
or (resid 67 and name HN))
((resid 9 and name HB*)
or (resid 68 and name HG*))
3.400 1.600 1.600 ! incr to 5.0 after round 162. (36 viol avg 0.255)
assign ((resid 140 and name HN)
or (resid 139 and name HN))
((resid 139 and name HB*))
2.900 1.100 1.100
assign ((resid 139 and name HN)
or (resid 55 and name HN))
((resid 138 and name HA)
or (resid 54 and name HA))
2.900 1.100 1.100
assign ((resid 101 and name HN))
((resid 102 and name HB*)
or (resid 22 and name HB*))
3.900 2.100 2.100 ! incr to 6.0 after round 15. (42 viol avg 0.341)
assign ((resid 34 and name HN))
((resid 29 and name HA)
or (resid 33 and name HB))
2.900 1.100 1.100
assign ((resid 146 and name HN)
or (resid 56 and name HN))
((resid 147 and name HD*)
or (resid 55 and name HD*))
2.900 1.100 1.100
assign ((resid 97 and name HN)
or (resid 94 and name HN))
((resid 96 and name HN))
2.900 1.100 1.100
assign ((resid 13 and name HN))
((resid 12 and name HN)
or (resid 14 and name HN))
2.300 0.500 0.500
assign ((resid 101 and name HN))
((resid 100 and name HB*)
or (resid 100 and name HD*))
2.900 1.100 1.100
assign ((resid 65 and name HA)
or (resid 64 and name HA))
((resid 68 and name HN))
2.900 1.100 1.100
assign ((resid 18 and name HN))
((resid 93 and name HB*)
or (resid 18 and name HB)
or (resid 17 and name HB*))
2.900 1.100 1.100 ! incr to 4.0 after round 12. (88 viol avg 0.402)
assign ((resid 46 and name HN))
((resid 45 and name HA)
or (resid 41 and name HA)
or (resid 46 and name HB*))
2.300 0.500 0.500
assign ((resid 94 and name HN)
or (resid 141 and name HN))
((resid 140 and name HD1*)
or (resid 94 and name HB*))
2.300 0.500 0.500
assign ((resid 45 and name HN))
((resid 74 and name HA)
or (resid 43 and name HA))
3.900 2.100 2.100 ! incr to 6.0 after round 5. (58 viol avg 0.388)
assign ((resid 126 and name HN))
((resid 124 and name HB*)
or (resid 123 and name HB*))
2.900 1.100 1.100
assign ((resid 170 and name HN)
or (resid 150 and name HN)
or (resid 97 and name HN)
or (resid 157 and name HN))
((resid 157 and name HA)
or (resid 170 and name HA)
or (resid 150 and name HA)
or (resid 96 and name HA))
2.300 0.500 0.500
!assign ((resid 88 and name HN))
((resid 94 and name HB*)
or (resid 39 and name HB))
3.900 2.100 2.100 ! could be commented out due to major violation after round 12
assign ((resid 50 and name HB*)
or (resid 111 and name HB*))
((resid 50 and name HE)
or (resid 111 and name HE))
2.900 1.100 1.100
assign ((resid 178 and name HN)
or (resid 174 and name HN))
((resid 171 and name HA*)
or (resid 188 and name HA*))
2.900 1.100 1.100
assign ((resid 121 and name HN))
((resid 117 and name HD*)
or (resid 120 and name HG*))
2.900 1.100 1.100
assign ((resid 29 and name HN))
((resid 28 and name HA)
or (resid 28 and name HB))
2.300 0.500 0.500
assign ((resid 59 and name HN))
((resid 47 and name HG*)
or (resid 61 and name HG*))
2.900 1.100 1.100
assign ((resid 67 and name HN)
or (resid 52 and name HN))
((resid 70 and name HB*)
or (resid 71 and name HG*)
or (resid 129 and name HG1*))
2.900 1.100 1.100
assign ((resid 108 and name HN))
((resid 105 and name HD1*)
or (resid 105 and name HG2*))
3.400 1.600 1.600 ! incr to 5.0 after round 15. (62 viol avg 0.293)
assign ((resid 56 and name HN)
or (resid 146 and name HN))
((resid 55 and name HA)
or (resid 145 and name HB*))
2.900 1.100 1.100
assign ((resid 61 and name HB)
or (resid 53 and name HB*))
((resid 62 and name HN))
2.900 1.100 1.100 ! incr to 4.0 after round 11. (76 viol avg 0.809)
assign ((resid 70 and name HN))
((resid 73 and name HB*)
or (resid 67 and name HB*))
3.400 1.600 1.600 ! incr to 5.0 after round 5. (96 viol avg 0.603)
assign ((resid 48 and name HN))
((resid 56 and name HB*)
or (resid 73 and name HB*))
3.400 1.600 1.600 ! incr to 5.0 after round 5. (81 viol avg 0.406)
assign ((resid 91 and name HN)
or (resid 103 and name HN))
((resid 104 and name HB*)
or (resid 101 and name HB*)
or (resid 90 and name HB*))
2.900 1.100 1.100
assign ((resid 92 and name HN))
((resid 18 and name HD1*)
or (resid 100 and name HD*))
3.400 1.600 1.600
assign ((resid 56 and name HN))
((resid 50 and name HE)
or (resid 53 and name HE2*))
3.900 2.100 2.100
assign ((resid 181 and name HN)
or (resid 196 and name HN))
((resid 181 and name HA*)
or (resid 196 and name HA*))
2.300 0.500 0.500
!assign ((resid 44 and name HN))
((resid 77 and name HG)
or (resid 77 and name HB*))
3.900 2.100 2.100 ! could be commented out due to major violation after round 11
!assign (resid 77 and name HG) (resid 44 and name HN) 3.900 2.100 2.100 ! could be commented out due to major violation after round 12
assign ((resid 26 and name HN)
or (resid 87 and name HN))
((resid 23 and name HN)
or (resid 84 and name HN))
3.400 1.600 1.600
assign ((resid 129 and name HN)
or (resid 131 and name HN))
((resid 131 and name HA)
or (resid 128 and name HA*))
2.300 0.500 0.500
assign ((resid 10 and name HN))
((resid 9 and name HA)
or (resid 10 and name HA))
2.900 1.100 1.100
assign ((resid 60 and name HN))
((resid 59 and name HA)
or (resid 57 and name HA))
2.900 1.100 1.100
assign ((resid 105 and name HN))
((resid 105 and name HD1*)
or (resid 105 and name HG2*))
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 90 and name HN))
((resid 88 and name HA)
or (resid 87 and name HA))
2.900 1.100 1.100
assign ((resid 64 and name HN))
((resid 66 and name HA)
or (resid 60 and name HA*))
3.900 2.100 2.100 ! incr to 6.0 after round 15. (44 viol avg 0.282)
assign ((resid 21 and name HN))
((resid 20 and name HD*)
or (resid 18 and name HA))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (51 viol avg 0.629)
assign ((resid 68 and name HN)
or (resid 95 and name HN))
((resid 67 and name HA)
or (resid 94 and name HA))
2.900 1.100 1.100
assign ((resid 15 and name HN))
((resid 14 and name HA)
or (resid 13 and name HA))
2.900 1.100 1.100 ! incr to 4.0 after round 11. (64 viol avg 0.543)
assign ((resid 104 and name HN))
((resid 105 and name HG2*)
or (resid 105 and name HD1*))
3.400 1.600 1.600 ! incr to 5.0 after round 13. (44 viol avg 0.421)
assign ((resid 3 and name HB*)
or (resid 3 and name HG*))
((resid 9 and name HN))
3.400 1.600 1.600
assign ((resid 89 and name HN)
or (resid 129 and name HN))
((resid 129 and name HA)
or (resid 89 and name HA))
2.300 0.500 0.500
assign ((resid 84 and name HN))
((resid 84 and name HA)
or (resid 84 and name HB*))
2.300 0.500 0.500
assign ((resid 193 and name HN))
((resid 194 and name HA)
or (resid 191 and name HA))
2.900 1.100 1.100
assign ((resid 96 and name HN))
((resid 93 and name HB*)
or (resid 124 and name HB*))
3.400 1.600 1.600 ! incr to 5.0 after round 13. (73 viol avg 0.531)
assign ((resid 66 and name HN))
((resid 67 and name HA)
or (resid 63 and name HA*))
2.900 1.100 1.100
assign ((resid 74 and name HN))
((resid 74 and name HG*)
or (resid 71 and name HG*)
or (resid 70 and name HB*))
2.300 0.500 0.500
assign ((resid 34 and name HN)
or (resid 31 and name HN))
((resid 28 and name HA)
or (resid 28 and name HB))
3.400 1.600 1.600 ! incr to 5.0 after round 15. (38 viol avg 0.537)
assign ((resid 95 and name HN)
or (resid 68 and name HN))
((resid 68 and name HA)
or (resid 91 and name HA))
2.900 1.100 1.100
assign ((resid 56 and name HN))
((resid 50 and name HG*)
or (resid 50 and name HB*))
2.900 1.100 1.100
assign ((resid 116 and name HN)
or (resid 87 and name HN))
((resid 116 and name HB*)
or (resid 87 and name HB*))
2.300 0.500 0.500
assign ((resid 47 and name HN))
((resid 41 and name HA)
or (resid 46 and name HB*))
2.900 1.100 1.100
assign ((resid 65 and name HN))
((resid 65 and name HB*)
or (resid 64 and name HB*))
2.900 1.100 1.100
assign ((resid 180 and name HN)
or (resid 144 and name HN))
((resid 180 and name HA)
or (resid 144 and name HA))
2.900 1.100 1.100
assign ((resid 192 and name HN)
or (resid 7 and name HN))
((resid 192 and name HA)
or (resid 7 and name HA))
2.900 1.100 1.100
assign ((resid 109 and name HN))
((resid 112 and name HB)
or (resid 105 and name HB))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (56 viol avg 0.595)
assign ((resid 28 and name HN))
((resid 28 and name HB)
or (resid 28 and name HA))
2.900 1.100 1.100
assign ((resid 74 and name HN))
((resid 48 and name HG*)
or (resid 71 and name HG*))
3.400 1.600 1.600 ! incr to 5.0 after round 7. (85 viol avg 0.269)
assign ((resid 136 and name HN)
or (resid 61 and name HN))
((resid 59 and name HN)
or (resid 135 and name HN))
2.900 1.100 1.100
assign ((resid 53 and name HN))
((resid 53 and name HB*)
or (resid 61 and name HB))
2.900 1.100 1.100 ! incr to 4.0 after round 14. (75 viol avg 0.509)
!assign ((resid 107 and name HN))
((resid 113 and name HN)
or (resid 117 and name HN))
3.900 2.100 2.100 ! could be commented out due to major violation after round 2
assign ((resid 66 and name HN))
((resid 65 and name HB*)
or (resid 62 and name HB*))
2.900 1.100 1.100
!assign ((resid 111 and name HN))
((resid 113 and name HA)
or (resid 117 and name HA))
3.900 2.100 2.100 ! could be commented out due to major violation after round 14
!assign (resid 111 and name HN) (resid 117 and name HA) 3.900 2.100 2.100 ! could be commented out due to major violation after round 162
assign ((resid 65 and name HD2*))
((resid 47 and name HB)
or (resid 53 and name HB*))
3.400 1.600 1.600 ! incr to 5.0 after round 15. (49 viol avg 0.487)
assign ((resid 69 and name HN))
((resid 70 and name HB*)
or (resid 71 and name HG*))
3.400 1.600 1.600 ! incr to 5.0 after round 7. (87 viol avg 0.270)
assign ((resid 96 and name HN))
((resid 96 and name HB*)
or (resid 94 and name HG))
2.900 1.100 1.100
assign ((resid 93 and name HN))
((resid 94 and name HD*)
or (resid 100 and name HD*))
3.400 1.600 1.600 ! incr to 5.0 after round 192. (55 viol avg 0.282)
assign ((resid 48 and name HN))
((resid 58 and name HB)
or (resid 46 and name HA))
3.900 2.100 2.100 ! incr to 6.0 after round 13. (55 viol avg 0.497)
assign ((resid 52 and name HN)
or (resid 42 and name HN))
((resid 40 and name HB*)
or (resid 52 and name HA))
2.300 0.500 0.500
assign ((resid 170 and name HN)
or (resid 97 and name HN))
((resid 175 and name HG*)
or (resid 96 and name HB*))
2.900 1.100 1.100
assign ((resid 64 and name HN))
((resid 64 and name HA)
or (resid 62 and name HA))
2.900 1.100 1.100
assign ((resid 131 and name HN)
or (resid 129 and name HN))
((resid 130 and name HA)
or (resid 132 and name HA))
2.300 0.500 0.500
!assign ((resid 46 and name HN))
((resid 49 and name HA)
or (resid 43 and name HA))
3.900 2.100 2.100 ! could be commented out due to major violation after round 13
!assign (resid 46 and name HN) (resid 43 and name HA) 3.900 2.100 2.100 ! could be commented out due to major violation after round 15
assign ((resid 71 and name HN))
((resid 71 and name HG*)
or (resid 70 and name HB*))
2.300 0.500 0.500
assign ((resid 132 and name HN))
((resid 136 and name HB)
or (resid 71 and name HB))
3.400 1.600 1.600 ! incr to 5.0 after round 162. (44 viol avg 0.458)
assign ((resid 9 and name HN)
or (resid 167 and name HN))
((resid 167 and name HA)
or (resid 9 and name HA))
2.900 1.100 1.100
assign ((resid 106 and name HN)
or (resid 62 and name HN))
((resid 105 and name HG2*)
or (resid 105 and name HD1*)
or (resid 70 and name HB*))
2.900 1.100 1.100
assign ((resid 101 and name HD2*))
((resid 101 and name HB*)
or (resid 104 and name HB*))
2.900 1.100 1.100
assign ((resid 163 and name HN))
((resid 162 and name HA)
or (resid 164 and name HA))
2.300 0.500 0.500
assign ((resid 131 and name HN)
or (resid 89 and name HN))
((resid 132 and name HN)
or (resid 84 and name HN))
3.400 1.600 1.600
assign ((resid 25 and name HB*)
or (resid 177 and name HG2*))
((resid 178 and name HN)
or (resid 181 and name HN))
3.400 1.600 1.600
assign ((resid 186 and name HN))
((resid 187 and name HA*)
or (resid 180 and name HB*))
3.400 1.600 1.600 ! incr to 5.0 after round 15. (40 viol avg 0.398)
assign ((resid 156 and name HN))
((resid 154 and name HA)
or (resid 155 and name HA))
2.900 1.100 1.100 ! incr to 4.0 after round 182w. (36 viol avg 0.203)
assign ((resid 59 and name HN)
or (resid 135 and name HN))
((resid 135 and name HA)
or (resid 59 and name HA))
2.300 0.500 0.500
assign ((resid 42 and name HN))
((resid 44 and name HB*)
or (resid 39 and name HG*)
or (resid 10 and name HG2*))
3.400 1.600 1.600
assign ((resid 94 and name HN)
or (resid 141 and name HN))
((resid 95 and name HA)
or (resid 139 and name HA))
3.400 1.600 1.600 ! incr to 5.0 after round 7. (67 viol avg 0.311)
!assign ((resid 136 and name HN)
or (resid 95 and name HD*))
((resid 131 and name HN))
3.900 2.100 2.100 ! could be commented out due to major violation after round 192
!assign ((resid 32 and name HN))
((resid 43 and name HB)
or (resid 120 and name HB))
3.900 2.100 2.100 ! could be commented out due to major violation after round 3
assign ((resid 32 and name HN))
((resid 28 and name HA)
or (resid 28 and name HB))
3.900 2.100 2.100 ! incr to 6.0 after round 1. (54 viol avg 0.749)
assign ((resid 19 and name HN)
or (resid 138 and name HN))
((resid 18 and name HG2*)
or (resid 136 and name HG*))
2.900 1.100 1.100
assign ((resid 90 and name HN))
((resid 89 and name HA)
or (resid 91 and name HA))
2.900 1.100 1.100
assign ((resid 147 and name HB*)
or (resid 76 and name HB*))
((resid 149 and name HN)
or (resid 74 and name HN))
3.400 1.600 1.600
assign ((resid 143 and name HN)
or (resid 124 and name HN))
((resid 122 and name HN)
or (resid 145 and name HN))
3.400 1.600 1.600 ! incr to 5.0 after round 15. (54 viol avg 0.376)
assign ((resid 13 and name HB*)
or (resid 161 and name HB*))
((resid 14 and name HN)
or (resid 162 and name HN))
2.900 1.100 1.100
assign ((resid 17 and name HN))
((resid 17 and name HB*)
or (resid 13 and name HB*))
2.900 1.100 1.100
assign ((resid 67 and name HN)
or (resid 113 and name HN))
((resid 67 and name HA)
or (resid 113 and name HA))
2.300 0.500 0.500
assign ((resid 127 and name HN))
((resid 123 and name HB*)
or (resid 124 and name HB*)
or (resid 129 and name HB))
3.400 1.600 1.600 ! incr to 5.0 after round 182w. (62 viol avg 0.160)
!assign ((resid 39 and name HN))
((resid 51 and name HA)
or (resid 87 and name HA))
3.900 2.100 2.100 ! could be commented out due to major violation after round 5
assign ((resid 2 and name HN))
((resid 1 and name HA)
or (resid 2 and name HA*))
3.400 1.600 1.600
assign ((resid 127 and name HN))
((resid 120 and name HG*)
or (resid 129 and name HG2*))
3.900 2.100 2.100 ! incr to 6.0 after round 172. (45 viol avg 0.341)
assign ((resid 70 and name HN))
((resid 71 and name HG*)
or (resid 48 and name HG*))
2.900 1.100 1.100
assign ((resid 20 and name HN))
((resid 19 and name HA)
or (resid 20 and name HA))
2.900 1.100 1.100
assign ((resid 134 and name HN))
((resid 135 and name HB*)
or (resid 67 and name HA))
3.400 1.600 1.600 ! incr to 5.0 after round 13. (45 viol avg 0.591)
assign ((resid 41 and name HN))
((resid 41 and name HA)
or (resid 40 and name HB*))
2.900 1.100 1.100
assign ((resid 124 and name HN))
((resid 123 and name HB*)
or (resid 124 and name HB*))
2.300 0.500 0.500
assign ((resid 131 and name HN)
or (resid 129 and name HN)
or (resid 53 and name HN))
((resid 130 and name HN))
2.900 1.100 1.100
assign ((resid 15 and name HN))
((resid 14 and name HB*)
or (resid 15 and name HA))
2.300 0.500 0.500
assign ((resid 33 and name HN))
((resid 31 and name HA)
or (resid 34 and name HA))
3.400 1.600 1.600 ! incr to 5.0 after round 5. (77 viol avg 0.444)
assign ((resid 62 and name HN)
or (resid 106 and name HN))
((resid 105 and name HG1*)
or (resid 56 and name HB*))
3.400 1.600 1.600 ! incr to 5.0 after round 7. (63 viol avg 0.334)
assign ((resid 186 and name HN))
((resid 185 and name HA)
or (resid 186 and name HA))
2.900 1.100 1.100
assign ((resid 31 and name HN)
or (resid 34 and name HN))
((resid 31 and name HA)
or (resid 34 and name HA))
2.300 0.500 0.500
assign ((resid 121 and name HN))
((resid 124 and name HB*)
or (resid 123 and name HB*))
3.400 1.600 1.600 ! incr to 5.0 after round 5. (70 viol avg 0.342)
assign ((resid 39 and name HN))
((resid 39 and name HG*)
or (resid 43 and name HD1*))
2.300 0.500 0.500
assign ((resid 18 and name HN))
((resid 15 and name HA)
or (resid 17 and name HA))
2.900 1.100 1.100
assign ((resid 92 and name HN))
((resid 92 and name HB*)
or (resid 92 and name HA))
2.300 0.500 0.500
assign ((resid 12 and name HN)
or (resid 189 and name HN))
((resid 12 and name HA*)
or (resid 189 and name HA*))
2.300 0.500 0.500
assign ((resid 46 and name HN))
((resid 48 and name HG*)
or (resid 47 and name HG*))
2.900 1.100 1.100
assign ((resid 111 and name HN))
((resid 113 and name HD*)
or (resid 112 and name HG*))
2.900 1.100 1.100
assign ((resid 142 and name HN))
((resid 140 and name HG2*)
or (resid 140 and name HD1*))
3.900 2.100 2.100 ! incr to 6.0 after round 172. (47 viol avg 0.374)
assign ((resid 91 and name HN)
or (resid 103 and name HN))
((resid 101 and name HB*)
or (resid 90 and name HB*))
2.900 1.100 1.100
assign ((resid 97 and name HN)
or (resid 58 and name HN))
((resid 58 and name HA)
or (resid 97 and name HA))
2.300 0.500 0.500
assign ((resid 139 and name HN))
((resid 143 and name HB*)
or (resid 135 and name HB*))
3.400 1.600 1.600 ! incr to 5.0 after round 182w. (80 viol avg 0.361)
assign ((resid 22 and name HN)
or (resid 82 and name HN))
((resid 99 and name HG*)
or (resid 77 and name HD*))
3.400 1.600 1.600 ! incr to 5.0 after round 5. (87 viol avg 0.575)
assign ((resid 42 and name HE2*))
((resid 42 and name HA)
or (resid 40 and name HB*))
2.900 1.100 1.100
assign ((resid 124 and name HN)
or (resid 143 and name HN))
((resid 143 and name HB*)
or (resid 124 and name HA))
2.300 0.500 0.500
assign ((resid 134 and name HN))
((resid 134 and name HA*)
or (resid 133 and name HB*))
2.300 0.500 0.500
assign ((resid 82 and name HN)
or (resid 22 and name HN))
((resid 79 and name HA)
or (resid 23 and name HA))
3.400 1.600 1.600 ! incr to 5.0 after round 12. (52 viol avg 0.471)
assign ((resid 32 and name HN))
((resid 29 and name HB*)
or (resid 89 and name HA))
3.900 2.100 2.100 ! incr to 6.0 after round 14. (46 viol avg 0.520)
assign ((resid 136 and name HN))
((resid 131 and name HA)
or (resid 133 and name HA))
3.900 2.100 2.100 ! could be commented out due to major violation after round 20
assign ((resid 47 and name HG*)
or (resid 48 and name HG*))
((resid 49 and name HN))
2.900 1.100 1.100
assign ((resid 108 and name HN))
((resid 100 and name HD*)
or (resid 112 and name HG*)
or (resid 113 and name HD*))
3.400 1.600 1.600 ! incr to 5.0 after round 12. (49 viol avg 0.378)
assign ((resid 108 and name HN))
((resid 108 and name HG)
or (resid 111 and name HG*))
2.900 1.100 1.100
assign ((resid 19 and name HB*)
or (resid 17 and name HA))
((resid 20 and name HN))
2.900 1.100 1.100
assign ((resid 46 and name HN))
((resid 44 and name HA)
or (resid 48 and name HA))
3.900 2.100 2.100 ! incr to 6.0 after round 5. (70 viol avg 0.377)
assign ((resid 83 and name HN)
or (resid 82 and name HN))
((resid 85 and name HN))
3.400 1.600 1.600
assign ((resid 146 and name HN)
or (resid 56 and name HN))
((resid 58 and name HG2*)
or (resid 149 and name HG2*))
3.900 2.100 2.100 ! incr to 6.0 after round 162. (72 viol avg 0.468)
assign ((resid 149 and name HN)
or (resid 177 and name HN)
or (resid 164 and name HN))
((resid 177 and name HA)
or (resid 164 and name HB)
or (resid 149 and name HA))
2.300 0.500 0.500
assign ((resid 67 and name HN)
or (resid 52 and name HN))
((resid 66 and name HN)
or (resid 53 and name HN))
2.300 0.500 0.500
assign ((resid 112 and name HN)
or (resid 64 and name HN))
((resid 66 and name HG)
or (resid 111 and name HG*))
3.400 1.600 1.600 ! incr to 5.0 after round 182w. (47 viol avg 0.142)
assign ((resid 71 and name HN))
((resid 71 and name HB)
or (resid 72 and name HB*))
2.300 0.500 0.500
assign ((resid 6 and name HN))
((resid 6 and name HA*)
or (resid 5 and name HA*))
2.300 0.500 0.500
assign ((resid 112 and name HN))
((resid 113 and name HD*)
or (resid 112 and name HG*))
2.900 1.100 1.100
assign ((resid 116 and name HN)
or (resid 133 and name HN))
((resid 116 and name HA)
or (resid 133 and name HB*))
2.300 0.500 0.500
assign ((resid 153 and name HN)
or (resid 118 and name HN)
or (resid 165 and name HN))
((resid 153 and name HA)
or (resid 118 and name HA)
or (resid 165 and name HA))
2.300 0.500 0.500
!Erronous non-ambiguous restraints go through manually and discard or correct (i.e no HB* to HB* found)
!assign (resid 23 and name HD2*) (resid 23 and name HD2*) 2.300 0.500 0.500
!assign (resid 118 and name HD2*) (resid 118 and name HD2*) 2.300 0.500 0.500
!assign (resid 72 and name HE2*) (resid 72 and name HE2*) 2.300 0.500 0.500
!assign (resid 27 and name HD2*) (resid 27 and name HD2*) 2.300 0.500 0.500
!assign (resid 104 and name HD2*) (resid 104 and name HD2*) 2.300 0.500 0.500
!assign (resid 96 and name HD2*) (resid 96 and name HD2*) 2.300 0.500 0.500
!assign (resid 88 and name HE2*) (resid 88 and name HE2*) 2.300 0.500 0.500
!assign (resid 53 and name HE2*) (resid 53 and name HE2*) 2.300 0.500 0.500
!assign (resid 64 and name HD2*) (resid 64 and name HD2*) 2.300 0.500 0.500
!assign (resid 42 and name HE2*) (resid 42 and name HE2*) 2.300 0.500 0.500
!assign (resid 65 and name HD2*) (resid 65 and name HD2*) 2.300 0.500 0.500
!assign (resid 41 and name HE2*) (resid 41 and name HE2*) 2.300 0.500 0.500
!assign (resid 137 and name HE2*) (resid 137 and name HE2*) 2.300 0.500 0.500
!assign (resid 101 and name HD2*) (resid 101 and name HD2*) 2.300 0.500 0.500
!Erronous ambiguous restraints go through manually and discard or correct (i.e no HB* to HB* found)
Contact the webmaster for help, if required. Thursday, May 23, 2024 7:26:55 AM GMT (wattos1)