NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
10692 |
1q56   |
cing | 1-original | 5 | XPLOR/CNS | distance | NOE | ambi |
!NN NOESY OTHERS
assign (resid {G} 76 and name HN) (resid {D} 75 and name HN) 1.8 0.0 1.0
assign (resid {G} 76 and name HN) (resid {V} 74 and name HN) 1.8 0.0 3.2
assign (resid {G} 76 and name HN) (resid {F} 77 and name HN) 1.8 0.0 2.2
assign (resid {G} 76 and name HN) (resid {Q} 53 and name HN) 1.8 0.0 4.2
assign (resid {D} 173 and name HN) (resid {Q} 175 and name HN) 1.8 0.0 3.2
assign (resid {D} 173 and name HN) (resid {R} 174 and name HN) 1.8 0.0 1.0
assign (resid {A} 51 and name HN) (resid {T} 52 and name HN) 1.8 0.0 3.2
assign (resid {A} 51 and name HN) (resid {E} 50 and name HN) 1.8 0.0 1.0
assign (resid {D} 75 and name HN) (resid {Q} 53 and name HE21) 1.8 0.0 1.5
assign (resid {D} 75 and name HN) (resid {Q} 53 and name HE22) 1.8 0.0 1.5
assign (resid {D} 75 and name HN) (resid {T} 52 and name HN) 1.8 0.0 4.7 {vw}
assign (resid {D} 75 and name HN) (resid {F} 77 and name HN) 1.8 0.0 3.2
assign (resid {V} 31 and name HN) (resid {A} 30 and name HN) 1.8 0.0 3.2
assign (resid {I} 189 and name HN) (resid {T} 188 and name HN) 1.8 0.0 3.2
assign (resid {V} 172 and name HN) (resid {R} 174 and name HN) 1.8 0.0 3.2
assign (resid {I} 124 and name HN) (resid {T} 125 and name HN) 1.8 0.0 3.2
assign (resid {A} 18 and name HN) (resid {C} 192 and name HN) 1.8 0.0 3.2
assign (resid {I} 73 and name HN) (resid {V} 74 and name HN) 1.8 0.0 3.2
assign (resid {V} 74 and name HN) (resid {G} 54 and name HN) 1.8 0.0 3.2
assign (resid {W} 58 and name HN) (resid {G} 145 and name HN) 1.8 0.0 3.2
assign (resid {A} 72 and name HN) (resid {L} 71 and name HN) 1.8 0.0 2.2
assign (resid {L} 179 and name HN) (resid {V} 180 and name HN) 1.8 0.0 1.5
assign (resid {L} 179 and name HN) (resid {E} 181 and name HN) 1.8 0.0 3.2
assign (resid {V} 95 and name HN) (resid {T} 94 and name HN) 1.8 0.0 1.0
assign (resid {A} 132 and name HN) (resid {G} 131 and name HN) 1.8 0.0 2.2
assign (resid {A} 140 and name HN) (resid {G} 139 and name HN) 1.8 0.0 1.5
assign (resid {A} 16 and name HN) (resid {E} 15 and name HN) 1.8 0.0 2.2
assign (resid {A} 14 and name HN) (resid {E} 15 and name HN) 1.8 0.0 1.5
assign (resid {L} 155 and name HN) (resid {K} 154 and name HN) 1.8 0.0 1.5
assign (resid {T} 49 and name HN) (resid {H} 101 and name HN) 1.8 0.0 3.2
assign (resid {T} 49 and name HN) (resid {N} 100 and name HN) 1.8 0.0 2.2
assign (resid {T} 49 and name HN) (resid {T} 99 and name HN) 1.8 0.0 3.2
assign (resid {N} 120 and name HN) (resid {E} 121 and name HN) 1.8 0.0 1.5
assign (resid {A} 158 and name HN) (resid {Y} 159 and name HN) 1.8 0.0 1.5
assign (resid {A} 158 and name HN) (resid {S} 160 and name HN) 1.8 0.0 3.2
assign (resid {R} 92 and name HN) (resid {S} 93 and name HN) 1.8 0.0 3.2
assign (resid {D} 20 and name HN) (resid {G} 21 and name HN) 1.8 0.0 1.0
assign (resid {D} 20 and name HN) (resid {R} 22 and name HN) 1.8 0.0 1.5
assign (resid {H} 153 and name HN) (resid {K} 154 and name HN) 1.8 0.0 2.2
assign (resid {L} 143 and name HN) (resid {W} 142 and name HN) 1.8 0.0 3.2
assign (resid {E} 50 and name HN) (resid {T} 52 and name HN) 1.8 0.0 4.2 {vw}
assign (resid {A} 183 and name HN) (resid {E} 182 and name HN) 1.8 0.0 1.0
assign (resid {A} 183 and name HN) (resid {E} 181 and name HN) 1.8 0.0 3.2
assign (resid {I} 97 and name HN) (resid {N} 98 and name HN) 1.8 0.0 1.0
assign (resid {I} 97 and name HN) (resid {T} 99 and name HN) 1.8 0.0 3.2
assign (resid {E} 147 and name HN) (resid {M} 146 and name HN) 1.8 0.0 3.2
assign (resid {L} 177 and name HN) (resid {H} 178 and name HN) 1.8 0.0 3.2
assign (resid {K} 61 and name HN) (resid {G} 62 and name HN) 1.8 0.0 1.5
assign (resid {N} 98 and name HN) (resid {T} 99 and name HN) 1.8 0.0 2.2
assign (resid {R} 168 and name HN) (resid {D} 169 and name HN) 1.8 0.0 3.2
assign (resid {T} 32 and name HN) (resid {S} 34 and name HN) 1.8 0.0 3.2
assign (resid {D} 13 and name HN) (resid {G} 12 and name HN) 1.8 0.0 3.2
assign (resid {A} 13 and name HN) (resid {D} 14 and name HN) 1.8 0.0 1.5
assign (resid {Q} 175 and name HN) (resid {V} 174 and name HN) 1.8 0.0 1.0
assign (resid {N} 100 and name HN) (resid {H} 101 and name HN) 1.8 0.0 1.5
assign (resid {N} 100 and name HN) (resid {T} 99 and name HN) 1.8 0.0 1.0
assign (resid {E} 121 and name HN) (resid {A} 122 and name HN) 1.8 0.0 3.2
assign ((resid {E} 121 and name HN)) ((resid {Q} 117 and name HE21) or
(resid {Q} 117 and name HE22)) 1.8 0.0 3.2 !
assign (resid {L} 57 and name HN) (resid {I} 56 and name HN) 1.8 0.0 2.2
assign (resid {L} 184 and name HN) (resid {N} 185 and name HN) 1.8 0.0 1.5
assign (resid {V} 170 and name HN) (resid {D} 169 and name HN) 1.8 0.0 1.5
assign (resid {V} 170 and name HN) (resid {S} 46 and name HN) 1.8 0.0 4.2 {vw}
assign (resid {R} 22 and name HN) (resid {G} 21 and name HN) 1.8 0.0 1.5
assign (resid {R} 22 and name HN) (resid {T} 23 and name HN) 1.8 0.0 1.0
assign (resid {S} 34 and name HN) (resid {E} 35 and name HN) 1.8 0.0 1.5
assign (resid {T} 23 and name HN) (resid {G} 21 and name HN) 1.8 0.0 1.5
assign (resid {T} 23 and name HN) (resid {D} 20 and name HN) 1.8 0.0 3.2
assign (resid {T} 161 and name HN) (resid {Y} 159 and name HN) 1.8 0.0 2.2
assign (resid {T} 161 and name HN) (resid {S} 160 and name HN) 1.8 0.0 1.0
assign (resid {S} 128 and name HN) (resid {R} 112 and name HN) 1.8 0.0 3.2
assign (resid {E} 181 and name HN) (resid {V} 180 and name HN) 1.8 0.0 1.0
assign (resid {E} 181 and name HN) (resid {D} 182 and name HN) 1.8 0.0 1.0
assign (resid {Q} 53 and name HN) (resid {T} 52 and name HN) 1.8 0.0 1.0
assign (resid {S} 93 and name HN) (resid {V} 95 and name HN) 1.8 0.0 3.2
assign (resid {S} 93 and name HN) (resid {T} 94 and name HN) 1.8 0.0 4.2 {vw}
assign (resid {S} 93 and name HN) (resid {T} 124 and name HN) 1.8 0.0 5.2 {vw}
assign (resid {R} 65 and name HN) (resid {S} 66 and name HN) 1.8 0.0 1.5
assign (resid {G} 85 and name HN) (resid {S} 86 and name HN) 1.8 0.0 1.5 !
assign (resid {N} 186 and name HN) (resid {N} 185 and name HN) 1.8 0.0 1.0
assign (resid {N} 186 and name HN) (resid {L} 184 and name HN) 1.8 0.0 3.2
assign (resid {G} 162 and name HN) (resid {T} 161 and name HN) 1.8 0.0 3.2
assign (resid {S} 66 and name HN) (resid {D} 67 and name HN) 1.8 0.0 3.2
assign (resid {V} 180 and name HN) (resid {A} 183 and name HN) 1.8 0.0 3.2
assign (resid {H} 101 and name HN) (resid {T} 99 and name HN) 1.8 0.0 2.2
assign ((resid {Q} 117 and name HE21) or
(resid {Q} 117 and name HE22)) ((resid {A} 107 and name HN)) 1.8 0.0 4.2 {vw}!
assign (resid {Q} 117 and name HE21) (resid {L} 116 and name HN) 1.8 0.0 4.2 {vw}!
assign (resid {Q} 117 and name HE22) (resid {L} 116 and name HN) 1.8 0.0 4.2 {vw}!
assign (resid {S} 160 and name HN) (resid {Y} 159 and name HN) 1.8 0.0 2.2
assign (resid {G} 145 and name HN) (resid {G} 144 and name HN) 1.8 0.0 1.0
assign (resid {G} 54 and name HN) (resid {L} 55 and name HN) 1.8 0.0 2.2
assign (resid {G} 12 and name HN) (resid {A} 11 and name HN) 1.8 0.0 3.2
assign (resid {G} 12 and name HN) (resid {A} 10 and name HN) 1.8 0.0 3.2
assign (resid {G} 126 and name HN) (resid {S} 127 and name HN) 1.8 0.0 3.2
assign (resid {G} 139 and name HN) (resid {T} 137 and name HN) 1.8 0.0 2.7
assign (resid {G} 145 and name HN) (resid {L} 143 and name HN) 1.8 0.0 3.2
assign (resid {G} 145 and name HN) (resid {F} 163 and name HN) 1.8 0.0 3.2
assign (resid {V} 118 and name HN) (resid {T} 94 and name HN) 1.8 0.0 3.2
assign (resid {V} 118 and name HN) (resid {G} 119 and name HN) 1.8 0.0 2.2
assign (resid {L} 149 and name HN) (resid {G} 148 and name HN) 1.8 0.0 1.5
!completely changed
assign (resid {A} 70 and name HN) (resid {S} 59 and name HN) 1.8 0.0 3.2
assign (resid {L} 55 and name HN) (resid {T} 161 and name HN) 1.8 0.0 3.2
!L149 pl 121.71
!assign (resid {L} 149 and name HN) (resid {G} 144 and name HN) 1.8 0.0 4.2
!From first batch
assign (resid {A} 11 and name HN) (resid {A} 10 and name HN) 1.8 0.0 2.7
assign (resid {A} 11 and name HN) (resid {A} 10 and name HA) 1.8 0.0 1.0
assign (resid {G} 12 and name HN) (resid {A} 11 and name HA) 1.8 0.0 3.2
assign (resid {A} 14 and name HN) (resid {D} 13 and name HA) 1.8 0.0 2.2
!!!***********************************************************************************
!!!***********************************************************************************
!!!
!START OF RESIDUES
!!!
!!!***********************************************************************************
!!!***********************************************************************************
!
!P96
assign ((resid {P} 96 and name HD2) or
(resid {P} 96 and name HD1)) ((resid {V} 95 and name HA)) 1.8 0.0 1.0 !
assign (resid {P} 96 and name HG1) (resid {T} 99 and name HG2#) 1.8 0.0 5.2
assign (resid {P} 96 and name HG2) (resid {T} 99 and name HG2#) 1.8 0.0 4.2
!P187
assign ((resid {P} 187 and name HA)) ((resid {P} 187 and name HB2) or
(resid {P} 187 and name HB1)) 1.8 0.0 1.0 !
!P88
!P123
!P129
!V151
assign ((resid {V} 151 and name HG1#)) ((resid {W} 58 and name HZ2)) 1.8 0.0 5.2 !
assign ((resid {V} 151 and name HG1#)) ((resid {W} 58 and name HH2)) 1.8 0.0 5.2 !
!V180
assign (resid {V} 180 and name HN) (resid {H} 178 and name HA) 1.8 0.0 2.2
assign (resid {V} 180 and name HN) (resid {H} 178 and name HB1) 1.8 0.0 3.2
assign (resid {V} 180 and name HN) (resid {H} 178 and name HB2) 1.8 0.0 3.2
assign (resid {V} 180 and name HN) (resid {V} 180 and name HB) 1.8 0.0 1.0
assign ((resid {V} 180 and name HN)) ((resid {L} 179 and name HB1)) 1.8 0.0 2.2 !
assign ((resid {V} 180 and name HN)) ((resid {L} 179 and name HB2)) 1.8 0.0 3.2 {vw 1.51}!
assign ((resid {V} 180 and name HN)) ((resid {L} 179 and name HD2#)) 1.8 0.0 3.0 !
assign ((resid {V} 180 and name HN)) ((resid {L} 179 and name HD1#)) 1.8 0.0 4.7 !
!H178
assign (resid {H} 178 and name HA) (resid {H} 178 and name HE1) 1.8 0.0 3.2
assign ((resid {H} 178 and name HB1)) ((resid {E} 181 and name HB1)) 1.8 0.0 3.2 !
assign ((resid {H} 178 and name HB2)) ((resid {E} 181 and name HB1)) 1.8 0.0 3.2 !
assign ((resid {H} 178 and name HB1)) ((resid {E} 181 and name HB1)) 1.8 0.0 3.2 !
assign ((resid {H} 178 and name HB2)) ((resid {E} 181 and name HB1)) 1.8 0.0 3.2 !
!A132
assign (resid {A} 132 and name HB#) (resid {L} 84 and name HB1) 1.8 0.0 3.7
assign (resid {A} 132 and name HB#) (resid {L} 84 and name HB2) 1.8 0.0 3.7
!L155
assign (resid {L} 155 and name HN) (resid {K} 154 and name HA) 1.8 0.0 1.5
assign (resid {L} 155 and name HN) (resid {K} 154 and name HB1) 1.8 0.0 3.2
assign (resid {L} 155 and name HN) (resid {K} 154 and name HB2) 1.8 0.0 3.2
assign (resid {L} 155 and name HN) (resid {K} 154 and name HG#) 1.8 0.0 3.7
assign ((resid {L} 155 and name HN)) ((resid {L} 155 and name HB1) or
(resid {L} 155 and name HB2) or
(resid {L} 155 and name HG)) 1.8 0.0 2.2
assign (resid {L} 155 and name HN) (resid {K} 154 and name HD1#) 1.8 0.0 3.7
assign (resid {L} 155 and name HN) (resid {K} 154 and name HD2#) 1.8 0.0 3.7
!L141
assign (resid {L} 141 and name HN) (resid {A} 140 and name HA) 1.8 0.0 1.0
assign (resid {L} 141 and name HN) (resid {L} 141 and name HB1) 1.8 0.0 1.0
!V90
assign (resid {V} 90 and name HN) (resid {V} 90 and name HB) 1.8 0.0 2.2
assign ((resid {V} 90 and name HN)) ((resid {V} 90 and name HG2#) or
(resid {V} 90 and name HG1#)) 1.8 0.0 2.5
assign ((resid {V} 90 and name HN)) ((resid {V} 89 and name HG1#) or
(resid {V} 89 and name HG2#)) 1.8 0.0 4.7
assign ((resid {V} 90 and name HN)) ((resid {L} 91 and name HD1#) or
(resid {L} 91 and name HD2#)) 1.8 0.0 4.7
!A140 (Ha 5.15, HB 1.55 Ca 50.73, cB 21.43)
assign (resid {A} 140 and name HN) (resid {G} 139 and name HA1) 1.8 0.0 3.2
assign (resid {A} 140 and name HN) (resid {G} 139 and name HA2) 1.8 0.0 3.2
assign ((resid {A} 140 and name HN)) ((resid {S} 59 and name HB2) or
(resid {S} 59 and name HB1)) 1.8 0.0 3.2 !
assign ((resid {A} 140 and name HN)) ((resid {D} 138 and name HA)) 1.8 0.0 2.2
assign ((resid {A} 140 and name HB#)) ((resid {W} 142 and name HD1)) 1.8 0.0 4.2 !
assign ((resid {A} 140 and name HB#)) ((resid {H} 28 and name HE1)) 1.8 0.0 3.0 !
assign ((resid {A} 140 and name HB#)) ((resid {H} 28 and name HD2)) 1.8 0.0 4.7 !
!A37 (HA 5.11, b 1.60, Ca 50.73, cB 21.43 IMPORTANT THIS IS A37 degenerate with A140)
assign (resid {A} 37 and name HN) (resid {K} 36 and name HA) 1.8 0.0 1.0
assign ((resid {A} 37 and name HN)) ((resid {L} 38 and name HD1#) or
(resid {L} 38 and name HD2#)) 1.8 0.0 3.7
assign (resid {A} 37 and name HB#) (resid {K} 36 and name HA) 1.8 0.0 4.7
!T137 IMPORTANT HA-HA NOE to D138 (HA 5.11 HB 4.33 HG2# 1.15 Ca CB 72.71 CG2)
assign (resid {T} 137 and name HG2#) (resid {D} 136 and name HA) 1.8 0.0 3.7
!D136 IMPORTANT HA-HA NOE to A37 (HA 5.70, HB 2.60,2.69 Ca 54.39 CB 41.83)
assign (resid {D} 136 and name HA) (resid {A} 37 and name HA) 1.8 0.0 0.9
!V95
assign (resid {V} 95 and name HN) (resid {S} 93 and name HA) 1.8 0.0 2.2
assign (resid {V} 95 and name HN) (resid {T} 94 and name HA) 1.8 0.0 1.5
assign ((resid {V} 95 and name HN)) ((resid {P} 96 and name HD2) or
(resid {P} 96 and name HD1)) 1.8 0.0 3.2 !
assign (resid {V} 95 and name HN) (resid {P} 96 and name HA) 1.8 0.0 3.2
assign (resid {V} 95 and name HN) (resid {V} 118 and name HB) 1.8 0.0 3.2
assign (resid {V} 95 and name HN) (resid {V} 95 and name HB) 1.8 0.0 1.0
assign (resid {V} 95 and name HN) (resid {T} 94 and name HG2#) 1.8 0.0 4.7
assign ((resid {V} 95 and name HN)) ((resid {V} 95 and name HG2#) or
(resid {V} 95 and name HG1#)) 1.8 0.0 2.5 !
assign (resid {V} 95 and name HN) (resid {F} 77 and name HD*) 1.8 0.0 4.7
assign (resid {V} 95 and name HA) (resid {F} 77 and name HD*) 1.8 0.0 4.7 !
assign (resid {V} 95 and name HA) (resid {F} 77 and name HE*) 1.8 0.0 5.2 !
!A16
assign (resid {A} 16 and name HN) (resid {E} 15 and name HA) 1.8 0.0 1.0
assign (resid {A} 16 and name HN) (resid {E} 15 and name HB#) 1.8 0.0 4.2
assign (resid {A} 16 and name HN) (resid {E} 15 and name HG1) 1.8 0.0 3.2
assign (resid {A} 16 and name HN) (resid {E} 15 and name HG2) 1.8 0.0 3.2
assign (resid {A} 16 and name HA) (resid {W} 102 and name HZ2) 1.8 0.0 3.2
assign (resid {A} 16 and name HA) (resid {W} 102 and name HH2) 1.8 0.0 3.2
assign ((resid {A} 16 and name HA)) ((resid {E} 15 and name HG1) or
(resid {E} 15 and name HG2)) 1.8 0.0 3.2 {2.15 w Alt I17 HB} !
assign ((resid {A} 16 and name HB#)) ((resid {I} 167 and name HN)) 1.8 0.0 4.7 !
assign (resid {A} 16 and name HB#) (resid {W} 102 and name HZ2) 1.8 0.0 3.0
assign (resid {A} 16 and name HB#) (resid {W} 102 and name HH2) 1.8 0.0 3.0
assign (resid {A} 16 and name HB#) (resid {C} 166 and name HB#) 1.8 0.0 4.0
!L179
assign (resid {L} 179 and name HN) (resid {H} 178 and name HA) 1.8 0.0 2.2
assign (resid {L} 179 and name HN) (resid {L} 179 and name HB1) 1.8 0.0 1.5
assign ((resid {L} 179 and name HN)) ((resid {L} 179 and name HB2)) 1.8 0.0 3.2 !
assign (resid {L} 179 and name HN) (resid {L} 179 and name HD1#) 1.8 0.0 5.2
assign (resid {L} 179 and name HN) (resid {L} 179 and name HD2#) 1.8 0.0 5.2
!A122 (Differences HCCH left out keeps giving NOE to 3.92 G119?)
assign (resid {A} 122 and name HN) (resid {V} 121 and name HA) 1.8 0.0 1.0
assign ((resid {A} 122 and name HN)) ((resid {P} 123 and name HD1) or
(resid {P} 123 and name HD2)) 1.8 0.0 3.2 !
assign (resid {A} 122 and name HN) (resid {E} 121 and name HG#) 1.8 0.0 2.0
assign (resid {A} 122 and name HN) (resid {A} 122 and name HB#) 1.8 0.0 2.5
assign ((resid {A} 122 and name HB#)) ((resid {P} 123 and name HD1) or
(resid {P} 123 and name HD2) ) 1.8 0.0 3.0
assign ((resid {A} 122 and name HB#)) ((resid {E} 121 and name HG#)) 1.8 0.0 4.7
assign (resid {A} 122 and name HB#) (resid {P} 123 and name HA) 1.8 0.0 3.7
!V74
assign (resid {V} 74 and name HN) (resid {I} 73 and name HA) 1.8 0.0 1.0
assign (resid {V} 74 and name HN) (resid {V} 74 and name HB) 1.8 0.0 1.5
assign ((resid {V} 74 and name HN)) ((resid {V} 74 and name HG1#)) 1.8 0.0 4.2 !
assign (resid {V} 74 and name HN) (resid {V} 74 and name HG2#) 1.8 0.0 4.2
assign (resid {V} 74 and name HN) (resid {I} 73 and name HG2#) 1.8 0.0 4.2
assign (resid {V} 74 and name HA) (resid {I} 73 and name HG2#) 1.8 0.0 4.7
assign (resid {V} 74 and name HA) (resid {I} 74 and name HG1#) 1.8 0.0 3.0
assign (resid {V} 74 and name HA) (resid {I} 74 and name HG2#) 1.8 0.0 3.0
assign (resid {V} 74 and name HA) (resid {A} 158 and name HB#) 1.8 0.0 3.7
!V78
assign (resid {V} 78 and name HN) (resid {F} 77 and name HA) 1.8 0.0 1.5
assign ((resid {V} 78 and name HN)) ((resid {S} 93 and name HB2) or
(resid {S} 93 and name HB1)) 1.8 0.0 2.2
assign (resid {V} 78 and name HN) (resid {F} 77 and name HB1) 1.8 0.0 2.2
assign (resid {V} 78 and name HN) (resid {V} 78 and name HB) 1.8 0.0 1.5
assign ((resid {V} 78 and name HN)) ((resid {V} 78 and name HG2#)) 1.8 0.0 2.5 !
assign ((resid {V} 78 and name HN)) ((resid {V} 78 and name HG1#)) 1.8 0.0 4.2 !
assign ((resid {V} 78 and name HB)) ((resid {I} 56 and name HG11) or
(resid {I} 56 and name HG12)) 1.8 0.0 4.2 {vw -0.10}!
!K195
assign (resid {K} 195 and name HN) (resid {A} 194 and name HA) 1.8 0.0 1.0
assign ((resid {K} 195 and name HN)) ((resid {S} 193 and name HB2) or
(resid {S} 193 and name HB1)) 1.8 0.0 3.2 !
assign (resid {K} 195 and name HA) (resid {A} 194 and name HB#) 1.8 0.0 3.0
assign (resid {K} 195 and name HB1) (resid {A} 194 and name HB#) 1.8 0.0 4.7
assign (resid {K} 195 and name HB2) (resid {A} 194 and name HB#) 1.8 0.0 4.7
!K87 (NOE-HSQC extreme weak)
assign (resid {K} 87 and name HN) (resid {D} 83 and name HA) 1.8 0.0 2.2
assign ((resid {K} 87 and name HA)) ((resid {K} 87 and name HB2) or
(resid {K} 87 and name HB1)) 1.8 0.0 1.0
assign (resid {K} 87 and name HA) (resid {K} 87 and name HE#) 1.8 0.0 3.2
assign ((resid {K} 87 and name HG1) or
(resid {K} 87 and name HG2)) ((resid {S} 86 and name HB1) or
(resid {S} 86 and name HB2)) 1.8 0.0 2.2 !
assign ((resid {K} 87 and name HG1) or
(resid {K} 87 and name HG2)) ((resid {G} 85 and name HA1)) 1.8 0.0 4.2 {vw, 4.68} !
!Y108(HN too noisy only NOE to 107 HA shows up)
!Q117
assign (resid {Q} 117 and name HN) (resid {A} 107 and name HA) 1.8 0.0 3.2
assign (resid {Q} 117 and name HN) (resid {L} 116 and name HA) 1.8 0.0 1.0
assign (resid {Q} 117 and name HN) (resid {I} 105 and name HA) 1.8 0.0 2.7
assign (resid {Q} 117 and name HN) (resid {Q} 117 and name HB#) 1.8 0.0 2.5
assign (resid {Q} 117 and name HN) (resid {K} 106 and name HB#) 1.8 0.0 2.0
assign (resid {Q} 117 and name HN) (resid {A} 107 and name HB#) 1.8 0.0 4.2
assign ((resid {Q} 117 and name HN)) ((resid {L} 116 and name HB1) or
(resid {L} 116 and name HB2)) 1.8 0.0 2.7
assign (resid {Q} 117 and name HN) (resid {I} 105 and name HG2#) 1.8 0.0 4.7
assign ((resid {Q} 117 and name HN)) ((resid {L} 116 and name HD1#) or
(resid {L} 116 and name HD2#)) 1.8 0.0 3.0
assign (resid {Q} 117 and name HA) (resid {Q} 117 and name HG1) 1.8 0.0 1.0
assign (resid {Q} 117 and name HA) (resid {Q} 117 and name HG2) 1.8 0.0 1.5
!K106
assign (resid {K} 106 and name HN) (resid {V} 118 and name HA) 1.8 0.0 2.2
assign (resid {K} 106 and name HN) (resid {I} 105 and name HA) 1.8 0.0 1.2
assign (resid {K} 106 and name HN) (resid {Q} 117 and name HB#) 1.8 0.0 4.2 {vw 2.10}
assign (resid {K} 106 and name HN) (resid {V} 118 and name HB#) 1.8 0.0 4.2 {vw 2.19}
assign (resid {K} 106 and name HN) (resid {K} 106 and name HD#) 1.8 0.0 4.2
assign (resid {K} 106 and name HN) (resid {I} 105 and name HG2#) 1.8 0.0 4.7
assign ((resid {K} 106 and name HN)) ((resid {L} 116 and name HD1#) or
(resid {L} 116 and name HD2#)) 1.8 0.0 1.5
assign (resid {K} 106 and name HB#) (resid {K} 106 and name HN) 1.8 0.0 3.2
assign (resid {K} 106 and name HB#) (resid {A} 107 and name HN) 1.8 0.0 4.2
assign (resid {K} 106 and name HB#) (resid {Q} 117 and name HA) 1.8 0.0 4.2
!I105
assign (resid {I} 105 and name HN) (resid {H} 104 and name HE1) 1.8 0.0 3.2
assign (resid {I} 105 and name HN) (resid {H} 104 and name HA) 1.8 0.0 1.0
assign (resid {I} 105 and name HN) (resid {H} 104 and name HB1) 1.8 0.0 2.7
assign (resid {I} 105 and name HN) (resid {H} 104 and name HB2) 1.8 0.0 3.2
assign (resid {I} 105 and name HN) (resid {K} 106 and name HB#) 1.8 0.0 3.7
assign (resid {I} 105 and name HN) (resid {I} 105 and name HB) 1.8 0.0 1.5
assign (resid {I} 105 and name HN) (resid {I} 105 and name HG2#) 1.8 0.0 4.7
assign (resid {I} 105 and name HN) (resid {I} 105 and name HD1#) 1.8 0.0 3.7
assign ((resid {I} 105 and name HN)) ((resid {L} 45 and name HD2#)) 1.8 0.0 4.7 !
assign ((resid {I} 105 and name HB)) ((resid {V} 118 and name HA)) 1.8 0.0 3.7 !
assign ((resid {I} 105 and name HB)) ((resid {I} 105 and name HG2#)) 1.8 0.0 2.5 !
assign (resid {I} 105 and name HB) (resid {L} 45 and name HD2#) 1.8 0.0 3.0 !
!Y24 (Ha close to 41,50 CB misassigned to N41)
assign (resid {Y} 24 and name HN) (resid {T} 23 and name HA) 1.8 0.0 1.0
assign (resid {Y} 24 and name HN) (resid {T} 23 and name HG2#) 1.8 0.0 3.7
assign (resid {Y} 24 and name HN) (resid {T} 24 and name HD*) 1.8 0.0 4.2
assign (resid {Y} 24 and name HA) (resid {Y} 24 and name HD*) 1.8 0.0 3.0
assign (resid {Y} 24 and name HA) (resid {Y} 24 and name HE*) 1.8 0.0 4.2
assign (resid {Y} 24 and name HA) (resid {W} 142 and name HE3) 1.8 0.0 3.2
assign (resid {Y} 24 and name HB1) (resid {Y} 24 and name HD*) 1.8 0.0 5.2
assign (resid {Y} 24 and name HB2) (resid {Y} 24 and name HD*) 1.8 0.0 4.2
assign (resid {Y} 24 and name HB1) (resid {Y} 24 and name HE*) 1.8 0.0 5.2
assign (resid {Y} 24 and name HB2) (resid {Y} 24 and name HE*) 1.8 0.0 5.2
!A194
assign (resid {A} 194 and name HN) (resid {S} 193 and name HA) 1.8 0.0 1.5
assign ((resid {A} 194 and name HN)) ((resid {S} 193 and name HB1) or
(resid {S} 193 and name HB2)) 1.8 0.0 1.5
assign ((resid {A} 194 and name HN)) ((resid {K} 195 and name HB#) or
(resid {K} 195 and name HD#)) 1.8 0.0 3.2
!Y82
assign (resid {Y} 82 and name HN) (resid {M} 81 and name HA) 1.8 0.0 1.5
assign (resid {Y} 82 and name HN) (resid {V} 89 and name HB) 1.8 0.0 1.5
assign ((resid {Y} 82 and name HN)) ((resid {L} 91 and name HD1#) or
(resid {L} 91 and name HD2#)) 1.8 0.0 4.7
assign (resid {Y} 82 and name HA) (resid {Y} 82 and name HD*) 1.8 0.0 5.2
assign (resid {Y} 82 and name HA) (resid {Y} 68 and name HE*) 1.8 0.0 6.2
assign (resid {Y} 82 and name HA) (resid {V} 89 and name HN) 1.8 0.0 5.2
assign ((resid {Y} 82 and name HB2) or
(resid {Y} 82 and name HB1)) ((resid {Y} 82 and name HE*)) 1.8 0.0 4.7
!A18
assign (resid {A} 18 and name HN) (resid {I} 17 and name HA) 1.8 0.0 1.0
assign (resid {A} 18 and name HN) (resid {H} 191 and name HA) 1.8 0.0 2.2
assign ((resid {A} 18 and name HN)) ((resid {I} 17 and name HG12) or
(resid {F} 163 and name HG11)) 1.8 0.0 3.2 !
assign (resid {A} 18 and name HN) (resid {I} 17 and name HG2#) 1.8 0.0 3.0
assign (resid {A} 18 and name HN) (resid {I} 17 and name HD1#) 1.8 0.0 3.7
assign (resid {A} 18 and name HN) (resid {L} 190 and name HB1) 1.8 0.0 3.2
assign (resid {A} 18 and name HA) (resid {I} 17 and name HG2#) 1.8 0.0 4.7
assign (resid {A} 18 and name HA) (resid {C} 166 and name HB2) 1.8 0.0 2.7
assign ((resid {A} 18 and name HA)) ((resid {C} 192 and name HB1) or
(resid {C} 192 and name HB2)) 1.8 0.0 5.2 !
assign (resid {A} 18 and name HB#) (resid {H} 191 and name HA) 1.8 0.0 4.7
assign (resid {A} 18 and name HB#) (resid {C} 166 and name HB2) 1.8 0.0 4.7
assign ((resid {A} 18 and name HB#)) ((resid {L} 190 and name HD1#) or
(resid {L} 190 and name HD2#)) 1.8 0.0 4.5 !
!W102
!K157
!A70
assign ((resid {A} 70 and name HA)) ((resid {L} 57 and name HD2#)) 1.8 0.0 3.7 !
assign ((resid {A} 70 and name HA)) ((resid {L} 71 and name HD2#)) 1.8 0.0 3.7 !
assign ((resid {A} 70 and name HA)) ((resid {L} 71 and name HD1#)) 1.8 0.0 4.7 !
assign ((resid {A} 70 and name HB#)) ((resid {L} 149 and name HD1#) or
(resid {L} 149 and name HD2#)) 1.8 0.0 6.2
assign ((resid {A} 70 and name HB#)) ((resid {L} 57 and name HD2#)) 1.8 0.0 6.2 !
assign ((resid {A} 70 and name HB#)) ((resid {W} 58 and name HA)) 1.8 0.0 3.7 !
assign ((resid {A} 70 and name HB#)) ((resid {Y} 159 and name HE*)) 1.8 0.0 4.5 !
assign ((resid {A} 70 and name HB#)) ((resid {Y} 159 and name HE*)) 1.8 0.0 6.2 !
assign ((resid {A} 70 and name HB#)) ((resid {W} 58 and name HE3)) 1.8 0.0 4.7 !
assign ((resid {A} 70 and name HB#)) ((resid {M} 81 and name HN)) 1.8 0.0 4.7 !
assign ((resid {A} 70 and name HB#)) ((resid {I} 69 and name HN)) 1.8 0.0 3.7 !
!W58
assign (resid {W} 58 and name HN) (resid {L} 57 and name HA) 1.8 0.0 1.0
assign (resid {W} 58 and name HN) (resid {A} 70 and name HA) 1.8 0.0 3.2
assign (resid {W} 58 and name HN) (resid {W} 58 and name HB1) 1.8 0.0 2.2
assign (resid {W} 58 and name HN) (resid {W} 58 and name HB2) 1.8 0.0 2.2
assign (resid {W} 58 and name HN) (resid {W} 142 and name HB2) 1.8 0.0 3.2
assign ((resid {W} 58 and name HN)) ((resid {L} 57 and name HB1) or
(resid {L} 57 and name HB2)) 1.8 0.0 2.2
assign ((resid {W} 58 and name HN)) ((resid {L} 141 and name HD*)) 1.8 0.0 4.6 !
assign ((resid {W} 58 and name HN)) ((resid {L} 57 and name HD2#)) 1.8 0.0 3.7 !
assign ((resid {W} 58 and name HN)) ((resid {L} 57 and name HG)) 1.8 0.0 1.5 !
assign (resid {W} 58 and name HA) (resid {W} 58 and name HE3) 1.8 0.0 1.5
!W142
assign (resid {W} 142 and name HN) (resid {L} 141 and name HA) 1.8 0.0 1.0
assign (resid {W} 142 and name HN) (resid {W} 142 and name HB1) 1.8 0.0 2.2
assign (resid {W} 142 and name HN) (resid {W} 142 and name HB2) 1.8 0.0 1.5
assign ((resid {W} 142 and name HN)) ((resid {L} 141 and name HB2)) 1.8 0.0 2.2 !
assign (resid {W} 142 and name HN) (resid {L} 141 and name HG) 1.8 0.0 2.2
assign ((resid {W} 142 and name HN)) ((resid {L} 57 and name HB1) or
(resid {L} 57 and name HB2)) 1.8 0.0 4.2 {vw 1.19}!
assign ((resid {W} 142 and name HN)) ((resid {L} 141 and name HD2#) or
(resid {L} 141 and name HD1#)) 1.8 0.0 3.0 !
assign ((resid {W} 142 and name HA)) ((resid {W} 142 and name HD1)) 1.8 0.0 2.7 !
assign ((resid {W} 142 and name HA)) ((resid {W} 142 and name HB1)) 1.8 0.0 1.0 !
assign ((resid {W} 142 and name HA)) ((resid {W} 141 and name HG)) 1.8 0.0 2.2 !
assign (resid {W} 142 and name HB1) (resid {W} 142 and name HD1) 1.8 0.0 2.2
assign (resid {W} 142 and name HB2) (resid {W} 142 and name HD1) 1.8 0.0 2.2
!I189
assign (resid {I} 189 and name HN) (resid {T} 188 and name HA) 1.8 0.0 1.5
assign (resid {I} 189 and name HN) (resid {T} 188 and name HB) 1.8 0.0 2.2
assign (resid {I} 189 and name HN) (resid {I} 189 and name HB) 1.8 0.0 1.0
assign (resid {I} 189 and name HN) (resid {I} 189 and name HG1#) 1.8 0.0 2.0
assign (resid {I} 189 and name HN) (resid {T} 188 and name HG2#) 1.8 0.0 3.0
assign (resid {I} 189 and name HN) (resid {I} 189 and name HG2#) 1.8 0.0 3.7
assign (resid {I} 189 and name HN) (resid {I} 189 and name HD1#) 1.8 0.0 3.7
assign (resid {I} 189 and name HA) (resid {I} 189 and name HG2#) 1.8 0.0 2.5
assign ((resid {I} 189 and name HA)) ((resid {I} 189 and name HG1#)) 1.8 0.0 2.5 !
assign ((resid {I} 189 and name HA)) ((resid {L} 190 and name HA)) 1.8 0.0 3.2 !
assign ((resid {I} 189 and name HB)) ((resid {I} 189 and name HG2#)) 1.8 0.0 2.5 !
assign ((resid {I} 189 and name HB)) ((resid {V} 180 and name HG2#) or
(resid {V} 180 and name HG1#) ) 1.8 0.0 4.7 !
!V172
assign (resid {V} 172 and name HN) (resid {I} 171 and name HA) 1.8 0.0 1.0
assign (resid {V} 172 and name HN) (resid {I} 171 and name HB) 1.8 0.0 1.5
assign ((resid {V} 172 and name HN)) ((resid {V} 172 and name HG1#) or
(resid {V} 172 and name HG1#) ) 1.8 0.0 3.7 !
assign (resid {V} 172 and name HN) (resid {I} 171 and name HG2#) 1.8 0.0 3.7
assign (resid {V} 172 and name HA) (resid {F} 43 and name HD*) 1.8 0.0 4.2
assign (resid {V} 172 and name HA) (resid {F} 43 and name HB#) 1.8 0.0 4.2
assign ((resid {V} 172 and name HG1#)) ((resid {F} 43 and name HD*)) 1.8 0.0 5.0 !
assign ((resid {V} 172 and name HG2#)) ((resid {F} 43 and name HD*)) 1.8 0.0 5.0 !
assign ((resid {V} 172 and name HG1#)) ((resid {F} 43 and name HA)) 1.8 0.0 4.7 !
assign ((resid {V} 172 and name HG2#)) ((resid {F} 43 and name HA)) 1.8 0.0 4.7 !
assign ((resid {V} 172 and name HG1#)) ((resid {L} 57 and name HD*)) 1.8 0.0 6.1 !
assign ((resid {V} 172 and name HG2#)) ((resid {L} 57 and name HD*)) 1.8 0.0 6.1 !
!F163(done)
assign (resid {F} 163 and name HA) (resid {I} 164 and name HD1#) 1.8 0.0 4.7
assign (resid {F} 163 and name HA) (resid {I} 164 and name HN) 1.8 0.0 1.0
assign (resid {F} 163 and name HA) (resid {F} 163 and name HD*) 1.8 0.0 3.5
assign (resid {F} 163 and name HB1) (resid {F} 163 and name HD*) 1.8 0.0 3.0
assign (resid {F} 163 and name HB2) (resid {F} 163 and name HD*) 1.8 0.0 3.0
assign ((resid {F} 163 and name HN)) ((resid {F} 163 and name HD*)) 1.8 0.0 5.2 !
assign ((resid {F} 163 and name HN)) ((resid {G} 21 and name HA2)) 1.8 0.0 2.2 !
assign ((resid {F} 163 and name HN)) ((resid {G} 145 and name HA2)) 1.8 0.0 2.2 !
!I164 (CONTINUE WITH 164 HCCH 1 NOE to 1.46 fromk HN still unassigned 2nd I164G ?)
assign (resid {I} 164 and name HN) (resid {F} 163 and name HD*) 1.8 0.0 3.5
assign ((resid {I} 164 and name HN)) ((resid {G} 54 and name HA2) or
(resid {G} 54 and name HA1)) 1.8 0.0 3.2 !
assign ((resid {I} 164 and name HN)) ((resid {G} 165 and name HA1) or
(resid {G} 165 and name HA2)) 1.8 0.0 3.2 !
assign ((resid {I} 164 and name HN)) ((resid {I} 163 and name HB1)) 1.8 0.0 2.2 !
assign ((resid {I} 164 and name HN)) ((resid {I} 163 and name HB2)) 1.8 0.0 2.2 !
assign ((resid {I} 164 and name HN)) ((resid {I} 164 and name HB)) 1.8 0.0 1.0 !
assign ((resid {I} 164 and name HN)) ((resid {A} 51 and name HB#)) 1.8 0.0 4.7 !
assign ((resid {I} 164 and name HN)) ((resid {I} 164 and name HG12) or
(resid {I} 164 and name HG11)) 1.8 0.0 2.2 !
assign ((resid {I} 164 and name HG2#)) ((resid {E} 50 and name HG2) or
(resid {E} 50 and name HG1)) 1.8 0.0 4.7 !
assign ((resid {I} 164 and name HD1#)) ((resid {F} 50 and name HG2) or
(resid {F} 50 and name HG1)) 1.8 0.0 4.7 !
assign ((resid {I} 164 and name HG2#)) ((resid {D} 20 and name HA)) 1.8 0.0 4.2 !
assign ((resid {I} 164 and name HD1#)) ((resid {D} 20 and name HA)) 1.8 0.0 4.7 !
assign ((resid {I} 164 and name HD1#)) ((resid {G} 21 and name HA1)) 1.8 0.0 3.0 !
assign ((resid {I} 164 and name HG2#)) ((resid {G} 21 and name HA1)) 1.8 0.0 4.7 !
assign ((resid {I} 164 and name HD1#)) ((resid {G} 21 and name HA2)) 1.8 0.0 4.7 !
assign ((resid {I} 164 and name HG2#)) ((resid {G} 164 and name HA)) 1.8 0.0 2.5 !
assign ((resid {I} 164 and name HD1#)) ((resid {G} 164 and name HA)) 1.8 0.0 4.2 !
assign ((resid {I} 164 and name HD1#)) ((resid {G} 164 and name HB)) 1.8 0.0 2.5 !
assign ((resid {I} 164 and name HG2#)) ((resid {E} 50 and name HG1) or
(resid {E} 50 and name HG2)) 1.8 0.0 4.7 !
assign ((resid {I} 164 and name HD1#)) ((resid {D} 20 and name HB2)) 1.8 0.0 4.7 !
assign ((resid {I} 164 and name HA)) ((resid {G} 21 and name HA1)) 1.8 0.0 3.2 {vw} !
assign ((resid {I} 164 and name HG11) or
(resid {I} 164 and name HG12)) ((resid {D} 20 and name HB1)) 1.8 0.0 4.2 {vw 3.21} !
!V89 former V118 HCCH)
assign (resid {V} 89 and name HA) (resid {V} 89 and name HG2#) 1.8 0.0 3.0
assign (resid {V} 89 and name HA) (resid {V} 89 and name HG1#) 1.8 0.0 3.7
assign (resid {V} 89 and name HB) (resid {P} 88 and name HA) 1.8 0.0 3.2
assign (resid {V} 89 and name HB) (resid {P} 88 and name HA) 1.8 0.0 3.2
assign (resid {V} 89 and name HG2#) (resid {S} 127 and name HA) 1.8 0.0 4.7
assign ((resid {I} 89 and name HG2#)) ((resid {G} 114 and name HA1) or
(resid {G} 114 and name HA2)) 1.8 0.0 4.7 !
assign (resid {V} 89 and name HG2#) (resid {P} 88 and name HA) 1.8 0.0 4.7
assign (resid {V} 89 and name HG2#) (resid {S} 127 and name HB1) 1.8 0.0 4.7
assign (resid {V} 89 and name HG1#) (resid {Y} 82 and name HE*) 1.8 0.0 5.2
assign (resid {V} 89 and name HG1#) (resid {Y} 82 and name HD*) 1.8 0.0 4.2
assign (resid {V} 89 and name HG1#) (resid {S} 127 and name HA) 1.8 0.0 4.7
assign (resid {V} 89 and name HG1#) (resid {T} 125 and name HA) 1.8 0.0 4.7
assign (resid {V} 89 and name HG1#) (resid {P} 88 and name HA) 1.8 0.0 4.7
assign ((resid {I} 89 and name HG1#)) ((resid {G} 114 and name HA1) or
(resid {G} 114 and name HA2)) 1.8 0.0 4.2 !
!I124
assign (resid {I} 124 and name HN) (resid {I} 124 and name HB) 1.8 0.0 1.0
assign ((resid {I} 124 and name HN)) ((resid {L} 116 and name HB2) or
(resid {L} 116 and name HB1)) 1.8 0.0 1.5 !
assign (resid {I} 124 and name HN) (resid {I} 124 and name HD1#) 1.8 0.0 2.7
assign (resid {I} 124 and name HN) (resid {L} 116 and name HD2#) 1.8 0.0 4.7
assign ((resid {I} 124 and name HA)) ((resid {I} 124 and name HG11) or
(resid {L} 116 and name HG12)) 1.8 0.0 1.5 !
assign (resid {I} 124 and name HB) (resid {L} 116 and name HN) 1.8 0.0 3.2
assign (resid {I} 124 and name HG2#) (resid {L} 124 and name HN) 1.8 0.0 3.7
assign (resid {I} 124 and name HG2#) (resid {L} 116 and name HN) 1.8 0.0 4.7
assign (resid {I} 124 and name HD1#) (resid {L} 116 and name HN) 1.8 0.0 4.7
assign (resid {I} 124 and name HG2#) (resid {I} 124 and name HA) 1.8 0.0 3.0
assign (resid {I} 124 and name HD1#) (resid {I} 124 and name HA) 1.8 0.0 3.0
assign (resid {I} 124 and name HG2#) (resid {S} 93 and name HA) 1.8 0.0 3.0
assign (resid {I} 124 and name HD1#) (resid {S} 93 and name HA) 1.8 0.0 2.5
assign (resid {I} 124 and name HG2#) (resid {L} 116 and name HG) 1.8 0.0 4.7
!L116
assign (resid {L} 116 and name HN) (resid {S} 115 and name HA) 1.8 0.0 1.0
assign (resid {L} 116 and name HN) (resid {P} 123 and name HA) 1.8 0.0 3.2
assign (resid {L} 116 and name HN) (resid {S} 115 and name HB2) 1.8 0.0 2.7
assign (resid {L} 116 and name HN) (resid {Q} 117 and name HB#) 1.8 0.0 3.7
assign ((resid {L} 116 and name HN)) ((resid {L} 116 and name HB2) or
(resid {L} 116 and name HB1)) 1.8 0.0 3.2 !
assign ((resid {L} 116 and name HN)) ((resid {T} 125 and name HG2#)) 1.8 0.0 4.7 !
assign ((resid {L} 116 and name HN)) ((resid {L} 116 and name HD1#)) 1.8 0.0 3.0 !
assign ((resid {L} 116 and name HN)) ((resid {L} 116 and name HD2#)) 1.8 0.0 3.0 !
assign ((resid {L} 116 and name HA)) ((resid {Y} 108 and name HE*)) 1.8 0.0 5.2 !
assign ((resid {L} 116 and name HA)) ((resid {Y} 108 and name HD*)) 1.8 0.0 5.2 !
assign (resid {H} 116 and name HA) (resid {L} 116 and name HD2#) 1.8 0.0 2.5
!E64
!H104
assign (resid {H} 104 and name HN) (resid {T} 103 and name HA) 1.8 0.0 1.0
assign (resid {H} 104 and name HN) (resid {T} 103 and name HB) 1.8 0.0 3.2
assign (resid {H} 104 and name HN) (resid {H} 104 and name HB1) 1.8 0.0 1.5
assign (resid {H} 104 and name HN) (resid {H} 104 and name HB2) 1.8 0.0 1.5
assign ((resid {H} 104 and name HN)) ((resid {I} 105 and name HG11)) 1.8 0.0 3.2 !
assign (resid {H} 104 and name HN) (resid {T} 103 and name HG2#) 1.8 0.0 2.5
assign (resid {H} 104 and name HN) (resid {I} 105 and name HG2#) 1.8 0.0 4.7
assign ((resid {H} 104 and name HN)) ((resid {V} 118 and name HG1#)) 1.8 0.0 3.7 !
!D75
assign (resid {D} 75 and name HN) (resid {D} 75 and name HA) 1.8 0.0 1.0
assign (resid {D} 75 and name HN) (resid {V} 74 and name HA) 1.8 0.0 1.0
assign (resid {D} 75 and name HN) (resid {T} 52 and name HB) 1.8 0.0 3.2
assign ((resid {D} 75 and name HN)) ((resid {V} 74 and name HG1#)) 1.8 0.0 3.7 !
assign ((resid {D} 75 and name HN)) ((resid {V} 74 and name HG2#)) 1.8 0.0 4.2 !
assign (resid {D} 75 and name HN) (resid {I} 73 and name HG2#) 1.8 0.0 4.7
!assign ((resid {D} 75 and name HA)) ((resid {V} 74 and name HG1#)) 1.8 0.0 4.2
!assign ((resid {D} 75 and name HB2)) ((resid {V} 74 and name HG1#)) 1.8 0.0 5.2
!L91 too much ovlp
!A51
assign (resid {A} 51 and name HN) (resid {E} 50 and name HA) 1.8 0.0 1.5
assign (resid {A} 51 and name HN) (resid {T} 49 and name HA) 1.8 0.0 3.2
assign (resid {A} 51 and name HN) (resid {T} 49 and name HB) 1.8 0.0 1.5
assign (resid {A} 51 and name HN) (resid {T} 49 and name HG2#) 1.8 0.0 3.0
assign ((resid {A} 51 and name HB#)) ((resid {I} 73 and name HG2#)) 1.8 0.0 6.2 !
assign ((resid {A} 51 and name HB#)) ((resid {I} 73 and name HD1#)) 1.8 0.0 5.5 !
assign ((resid {A} 51 and name HB#)) ((resid {F} 163 and name HD*)) 1.8 0.0 5.2 !
!D173
assign (resid {D} 173 and name HN) (resid {V} 172 and name HA) 1.8 0.0 1.0
assign ((resid {D} 173 and name HN)) ((resid {V} 172 and name HG2#) or
(resid {V} 172 and name HG1#)) 1.8 0.0 4.7 !
assign (resid {D} 173 and name HN) (resid {R} 174 and name HD#) 1.8 0.0 4.2
!I171
assign (resid {I} 171 and name HN) (resid {V} 170 and name HA) 1.8 0.0 1.0
assign ((resid {I} 171 and name HN)) ((resid {E} 44 and name HG1) or
(resid {I} 44 and name HG2)) 1.8 0.0 3.2 {W 2.50 TENT DISC}!
assign (resid {I} 171 and name HN) (resid {E} 44 and name HB1) 1.8 0.0 3.2
assign (resid {I} 171 and name HN) (resid {E} 44 and name HB2) 1.8 0.0 3.2
assign ((resid {I} 171 and name HN)) ((resid {I} 171 and name HG11) or
(resid {I} 171 and name HG12)) 1.8 0.0 1.5 !
assign ((resid {I} 171 and name HN)) ((resid {V} 170 and name HG1#) or
(resid {I} 170 and name HG2#)) 1.8 0.0 3.0 !
assign ((resid {I} 171 and name HN)) ((resid {V} 170 and name HG1#) or
(resid {I} 170 and name HG2#)) 1.8 0.0 4.7 !
assign (resid {I} 171 and name HN) (resid {I} 171 and name HG2#) 1.8 0.0 3.7
assign (resid {I} 171 and name HN) (resid {I} 171 and name HD1#) 1.8 0.0 4.7
assign (resid {I} 171 and name HA) (resid {I} 171 and name HG2#) 1.8 0.0 2.5
assign ((resid {I} 171 and name HB)) ((resid {E} 44 and name HB2)) 1.8 0.0 3.2 !
assign (resid {I} 171 and name HD1#) (resid {I} 171 and name HB) 1.8 0.0 3.0
assign (resid {I} 171 and name HD1#) (resid {E} 44 and name HA) 1.8 0.0 5.2 { 5.42 w-vw TENT DISC}
assign (resid {I} 171 and name HD1#) (resid {R} 174 and name HA) 1.8 0.0 3.7
!W102 indole HN (10.22 pl 129.58
assign (resid {W} 102 and name HE1) (resid {K} 48 and name HD#) 1.8 0.0 3.2
!A107
assign (resid {A} 107 and name HN) (resid {K} 106 and name HA) 1.8 0.0 1.0
assign ((resid {A} 107 and name HN)) ((resid {F} 43 and name HB#)) 1.8 0.0 4.2 !
assign ((resid {A} 107 and name HN)) ((resid {E} 44 and name HG1)) 1.8 0.0 3.2 !
assign ((resid {A} 107 and name HN)) ((resid {E} 44 and name HG2)) 1.8 0.0 3.2 !
assign (resid {A} 107 and name HN) (resid {K} 106 and name HG#) 1.8 0.0 2.5
assign (resid {A} 107 and name HN) (resid {K} 106 and name HD#) 1.8 0.0 3.2
assign (resid {A} 107 and name HN) (resid {L} 45 and name HD2#) 1.8 0.0 5.7 {vw}
assign (resid {A} 107 and name HA) (resid {Y} 108 and name HD*) 1.8 0.0 5.2
assign ((resid {A} 107 and name HA)) ((resid {F} 43 and name HB#)) 1.8 0.0 3.2 !
assign (resid {A} 107 and name HA) (resid {L} 116 and name HD2#) 1.8 0.0 3.0
assign ((resid {A} 107 and name HB#)) ((resid {F} 43 and name HB#)) 1.8 0.0 4.0 !
assign (resid {A} 107 and name HB#) (resid {L} 116 and name HD2#) 1.8 0.0 4.0
assign (resid {A} 107 and name HB#) (resid {F} 43 and name HD*) 1.8 0.0 5.0
assign (resid {A} 107 and name HB#) (resid {K} 106 and name HA) 1.8 0.0 4.7
assign (resid {A} 107 and name HB#) (resid {F} 43 and name HA) 1.8 0.0 4.7
assign (resid {A} 107 and name HB#) (resid {L} 71 and name HD2#) 1.8 0.0 4.0
assign (resid {A} 107 and name HB#) (resid {L} 57 and name HD1#) 1.8 0.0 6.2
!L190
assign (resid {L} 190 and name HN) (resid {H} 191 and name HA) 1.8 0.0 3.2
assign (resid {L} 190 and name HN) (resid {I} 189 and name HA) 1.8 0.0 1.0
assign ((resid {L} 190 and name HN)) ((resid {L} 190 and name HB2)) 1.8 0.0 2.2 !
assign (resid {L} 190 and name HN) (resid {I} 189 and name HB) 1.8 0.0 3.2
assign (resid {L} 190 and name HN) (resid {L} 190 and name HG) 1.8 0.0 1.5
assign ((resid {L} 190 and name HN)) ((resid {L} 190 and name HD1#) or
(resid {L} 190 and name HD2#)) 1.8 0.0 3.7 !
assign (resid {L} 190 and name HN) (resid {I} 189 and name HD1#) 1.8 0.0 4.7
assign (resid {L} 190 and name HN) (resid {I} 17 and name HD1#) 1.8 0.0 3.7
assign ((resid {L} 190 and name HA)) ((resid {L} 190 and name HD1#) or
(resid {L} 190 and name HD2#)) 1.8 0.0 2.5 !
assign (resid {L} 190 and name HA) (resid {L} 190 and name HB1) 1.8 0.0 1.0
assign (resid {L} 190 and name HA) (resid {L} 190 and name HB2) 1.8 0.0 1.0
assign ((resid {L} 190 and name HB1)) ((resid {A} 18 and name HB#)) 1.8 0.0 3.7 !
assign ((resid {L} 190 and name HB2)) ((resid {A} 18 and name HB#)) 1.8 0.0 3.7 !
!F43 after 43 switched and went backwards from L190
assign (resid {F} 43 and name HN) (resid {F} 43 and name HD*) 1.8 0.0 5.2
assign (resid {F} 43 and name HN) (resid {H} 42 and name HA) 1.8 0.0 1.0
assign ((resid {F} 43 and name HN)) ((resid {F} 43 and name HB#)) 1.8 0.0 2.0 !
assign (resid {F} 43 and name HN) (resid {A} 107 and name HB#) 1.8 0.0 4.7
assign (resid {F} 43 and name HA) (resid {F} 43 and name HD*) 1.8 0.0 3.0
assign (resid {F} 43 and name HA) (resid {K} 106 and name HD#) 1.8 0.0 5.2 {vw 1.47 alt A107 B#}
assign ((resid {F} 43 and name HA)) ((resid {V} 172 and name HG1#) or
(resid {V} 172 and name HG2#)) 1.8 0.0 3.7 !
assign (resid {F} 43 and name HB#) (resid {K} 106 and name HD#) 1.8 0.0 4.2
assign ((resid {F} 43 and name HB#)) ((resid {V} 172 and name HG1#) or
(resid {V} 172 and name HG2#)) 1.8 0.0 4.7 !
assign (resid {F} 43 and name HB1) (resid {F} 43 and name HD*) 1.8 0.0 4.2
assign (resid {F} 43 and name HB2) (resid {F} 43 and name HD*) 1.8 0.0 4.2
!I17
assign (resid {I} 17 and name HN) (resid {A} 16 and name HA) 1.8 0.0 1.0
assign (resid {I} 17 and name HN) (resid {I} 17 and name HB) 1.8 0.0 1.5
assign (resid {I} 17 and name HA) (resid {I} 17 and name HG2#) 1.8 0.0 3.0
assign (resid {I} 17 and name HD1#) (resid {H} 191 and name HE1) 1.8 0.0 3.0
assign (resid {I} 17 and name HG2#) (resid {H} 189 and name HA) 1.8 0.0 3.0
assign (resid {I} 17 and name HG2#) (resid {H} 191 and name HE1) 1.8 0.0 3.7
!A158 (helix)
assign (resid {A} 158 and name HN) (resid {K} 157 and name HA) 1.8 0.0 3.2
!assign (resid {A} 158 and name HN) (resid {L} 155 and name HA) 1.8 0.0 3.2
assign (resid {A} 158 and name HA) (resid {T} 161 and name HA) 1.8 0.0 4.2
assign (resid {A} 158 and name HA) (resid {Q} 53 and name HA) 1.8 0.0 3.2
assign (resid {A} 158 and name HA) (resid {T} 161 and name HB) 1.8 0.0 1.5
assign (resid {A} 158 and name HA) (resid {Q} 53 and name HB2) 1.8 0.0 2.7
assign ((resid {A} 158 and name HA)) ((resid {Q} 53 and name HG2) or
(resid {Q} 53 and name HG1)) 1.8 0.0 1.5 !
assign (resid {A} 158 and name HA) (resid {T} 161 and name HG2#) 1.8 0.0 3.0
assign (resid {A} 158 and name HA) (resid {A} 72 and name HB#) 1.8 0.0 4.2
assign (resid {A} 158 and name HB#) (resid {A} 72 and name HB#) 1.8 0.0 4.0
assign (resid {A} 158 and name HB#) (resid {T} 161 and name HB) 1.8 0.0 4.7
assign (resid {A} 158 and name HB#) (resid {Q} 53 and name HA) 1.8 0.0 3.7
assign (resid {A} 158 and name HB#) (resid {Y} 159 and name HD*) 1.8 0.0 6.7
assign (resid {A} 158 and name HB#) (resid {I} 73 and name HG2#) 1.8 0.0 6.2
!N120
assign ((resid {N} 120 and name HA)) ((resid {G} 119 and name HA#)) 1.8 0.0 3.2 !
!T49
assign (resid {T} 49 and name HN) (resid {K} 48 and name HA) 1.8 0.0 1.0
assign (resid {T} 49 and name HN) (resid {N} 98 and name HA) 1.8 0.0 2.7
assign (resid {T} 49 and name HN) (resid {N} 100 and name HA) 1.8 0.0 2.7
assign (resid {T} 49 and name HN) (resid {K} 48 and name HG1) 1.8 0.0 3.2
assign (resid {T} 49 and name HN) (resid {K} 48 and name HG2) 1.8 0.0 3.2
assign ((resid {T} 49 and name HN)) ((resid {K} 48 and name HB2)) 1.8 0.0 3.2 !
assign (resid {T} 49 and name HA) (resid {F} 163 and name HE*) 1.8 0.0 5.2
assign (resid {T} 49 and name HB) (resid {F} 163 and name HE*) 1.8 0.0 4.2
assign (resid {T} 49 and name HB) (resid {I} 47 and name HD1#) 1.8 0.0 4.7
!H153
assign (resid {H} 153 and name HN) (resid {H} 153 and name HD2) 1.8 0.0 2.2
assign (resid {H} 153 and name HN) (resid {V} 151 and name HA) 1.8 0.0 2.2
assign (resid {H} 153 and name HN) (resid {A} 152 and name HB#) 1.8 0.0 3.0
assign (resid {H} 153 and name HN) (resid {V} 151 and name HG1#) 1.8 0.0 3.7
assign (resid {H} 153 and name HN) (resid {V} 151 and name HG2#) 1.8 0.0 3.7
!K48
assign (resid {K} 48 and name HN) (resid {F} 163 and name HZ) 1.8 0.0 2.2
assign (resid {K} 48 and name HN) (resid {I} 47 and name HA) 1.8 0.0 1.0
assign (resid {K} 48 and name HN) (resid {I} 167 and name HA) 1.8 0.0 3.2
assign (resid {K} 48 and name HN) (resid {K} 48 and name HA) 1.8 0.0 1.0
assign ((resid {K} 48 and name HN)) ((resid {C} 166 and name HB2)) 1.8 0.0 2.2 !
assign ((resid {K} 48 and name HN)) ((resid {I} 47 and name HB)) 1.8 0.0 1.0 !
assign ((resid {K} 48 and name HN)) ((resid {I} 167 and name HG12) or
(resid {I} 167 and name HG11)) 1.8 0.0 3.2 !
assign (resid {K} 48 and name HN) (resid {I} 47 and name HG2#) 1.8 0.0 3.0
assign (resid {K} 48 and name HN) (resid {I} 47 and name HD1#) 1.8 0.0 4.7
assign (resid {K} 48 and name HN) (resid {K} 48 and name HB1) 1.8 0.0 2.2
assign ((resid {K} 48 and name HN)) ((resid {K} 48 and name HG1) or
(resid {K} 48 and name HG2)) 1.8 0.0 3.2 !
assign (resid {K} 48 and name HA) (resid {K} 48 and name HG1) 1.8 0.0 1.5
assign (resid {K} 48 and name HA) (resid {K} 48 and name HG2) 1.8 0.0 1.5
assign ((resid {K} 48 and name HA)) ((resid {I} 47 and name HG11) or
(resid {I} 47 and name HG12)) 1.8 0.0 2.2 !
assign (resid {K} 48 and name HA) (resid {F} 163 and name HZ) 1.8 0.0 3.2
assign (resid {K} 48 and name HG1) (resid {K} 48 and name HE#) 1.8 0.0 3.2 !
assign (resid {K} 48 and name HG1) (resid {K} 48 and name HE#) 1.8 0.0 3.2 !
assign ((resid {K} 48 and name HG1) or
(resid {K} 48 and name HG2)) ((resid {H} 101 and name HA)) 1.8 0.0 3.2 !
assign (resid {K} 48 and name HD#) (resid {K} 48 and name HA) 1.8 0.0 3.2
assign (resid {K} 48 and name HD#) (resid {W} 102 and name HZ2) 1.8 0.0 3.2
assign (resid {K} 48 and name HD#) (resid {W} 102 and name HH2) 1.8 0.0 4.2
assign (resid {K} 48 and name HD#) (resid {W} 102 and name HA) 1.8 0.0 4.2
assign ((resid {K} 48 and name HD#)) ((resid {W} 102 and name HB2) or
(resid {W} 102 and name HB1)) 1.8 0.0 4.2 !
assign ((resid {K} 48 and name HE1)) ((resid {K} 48 and name HB2)) 1.8 0.0 3.2 !
assign ((resid {K} 48 and name HE2)) ((resid {K} 48 and name HB2)) 1.8 0.0 3.2 !
assign (resid {K} 48 and name HE1) (resid {K} 48 and name HA) 1.8 0.0 3.2
assign (resid {K} 48 and name HE2) (resid {K} 48 and name HA) 1.8 0.0 3.2
assign (resid {K} 48 and name HE1) (resid {W} 102 and name HZ2) 1.8 0.0 3.2
assign (resid {K} 48 and name HE2) (resid {W} 102 and name HZ2) 1.8 0.0 3.7
assign (resid {K} 48 and name HE1) (resid {A} 194 and name HB#) 1.8 0.0 4.7
assign (resid {K} 48 and name HE2) (resid {A} 194 and name HB#) 1.8 0.0 4.7
!D20
assign (resid {D} 20 and name HN) (resid {D} 20 and name HA) 1.8 0.0 1.5
assign (resid {D} 20 and name HN) (resid {F} 19 and name HA) 1.8 0.0 1.0
assign ((resid {D} 20 and name HN)) (resid {F} 19 and name HB1) 1.8 0.0 2.2 !
assign ((resid {D} 20 and name HB1)) ((resid {L} 190 and name HD*)) 1.8 0.0 5.6 !
assign ((resid {D} 20 and name HB2)) ((resid {L} 190 and name HD*)) 1.8 0.0 5.6 !
!Q111 8.13, 122.17
assign ((resid {Q} 111 and name HN)) ((resid {S} 40 and name HA)) 1.8 0.0 2.2 !
assign (resid {Q} 111 and name HN) (resid {V} 110 and name HB) 1.8 0.0 3.2
assign (resid {Q} 111 and name HN) (resid {Q} 111 and name HB#) 1.8 0.0 2.0
!R92
assign (resid {R} 92 and name HA) (resid {R} 92 and name HB1) 1.8 0.0 1.5
assign (resid {R} 92 and name HA) (resid {R} 92 and name HB2) 1.8 0.0 1.0
assign ((resid {R} 92 and name HN)) ((resid {L} 91 and name HB1)) 1.8 0.0 3.2 !
assign ((resid {R} 92 and name HN)) ((resid {L} 91 and name HB2)) 1.8 0.0 2.2 !
assign (resid {R} 92 and name HA) (resid {R} 92 and name HD#) 1.8 0.0 3.2
assign ((resid {R} 92 and name HA)) ((resid {R} 92 and name HG1) or
(resid {R} 92 and name HG2)) 1.8 0.0 3.2 !
assign ((resid {R} 92 and name HA)) ((resid {V} 90 and name HG1#) or
(resid {V} 90 and name HG2#)) 1.8 0.0 3.0 !
assign ((resid {R} 92 and name HB1)) ((resid {V} 90 and name HG1#) or
(resid {V} 90 and name HG2#)) 1.8 0.0 4.7 !
assign ((resid {R} 92 and name HB2)) ((resid {V} 90 and name HG1#) or
(resid {V} 90 and name HG2#)) 1.8 0.0 4.7 !
!salt bridge R92-D75 R92 HE upfied shifted visible Arg sc
assign ((resid {D} 75 and name OD1) or
(resid {D} 75 and name OD2)) ((resid {R} 92 and name NH1) or
(resid {R} 92 and name NH2)) 1.8 0.0 2.2
!E176 (HN->Ha 5.07)
!D83
assign (resid {D} 83 and name HA) (resid {L} 84 and name HG) 1.8 0.0 2.2
!D67
assign (resid {D} 67 and name HN) (resid {D} 67 and name HA) 1.8 0.0 2.2
assign (resid {D} 67 and name HN) (resid {S} 66 and name HA) 1.8 0.0 2.2
assign ((resid {D} 67 and name HN)) ((resid {D} 67 and name HB1) or
(resid {D} 67 and name HB2)) 1.8 0.0 1.0 !
!Y27
assign (resid {Y} 27 and name HN) (resid {Y} 27 and name HD*) 1.8 0.0 3.0
assign (resid {Y} 27 and name HN) (resid {M} 26 and name HA) 1.8 0.0 3.0
assign (resid {Y} 27 and name HN) (resid {Y} 27 and name HB2) 1.8 0.0 1.0 !
assign (resid {Y} 27 and name HN) (resid {Y} 27 and name HB2) 1.8 0.0 2.2 !
assign (resid {Y} 27 and name HN) (resid {L} 141 and name HD*) 1.8 0.0 4.6
assign (resid {Y} 27 and name HN) (resid {L} 141 and name HG) 1.8 0.0 2.2
assign (resid {Y} 27 and name HA) (resid {Y} 27 and name HD*) 1.8 0.0 4.2
assign (resid {Y} 27 and name HA) (resid {Y} 27 and name HE*) 1.8 0.0 4.2
assign (resid {Y} 27 and name HB1) (resid {Y} 27 and name HD*) 1.8 0.0 3.0
!A183 (helix, HCCH ovlp)
assign (resid {A} 183 and name HN) (resid {Y} 27 and name HE*) 1.8 0.0 3.7
assign (resid {A} 183 and name HN) (resid {A} 183 and name HA) 1.8 0.0 1.5
assign (resid {A} 183 and name HN) (resid {D} 182 and name HA) 1.8 0.0 2.2
assign (resid {A} 183 and name HN) (resid {D} 182 and name HB#) 1.8 0.0 3.2
assign (resid {A} 183 and name HN) (resid {E} 181 and name HB1) 1.8 0.0 3.2
assign ((resid {A} 183 and name HN)) ((resid {H} 178 and name HB1) or
(resid {H} 178 and name HB2)) 1.8 0.0 4.2 {vw 3.58} !
assign ((resid {A} 183 and name HN)) ((resid {L} 179 and name HD1#) or
(resid {L} 179 and name HD2#) or
(resid {V} 180 and name HG1#) or
(resid {V} 180 and name HG2#)) 1.8 0.0 4.7 !
assign (resid {A} 183 and name HA) (resid {Y} 27 and name HD*) 1.8 0.0 3.5
assign (resid {A} 183 and name HA) (resid {Y} 27 and name HE*) 1.8 0.0 3.5
assign (resid {A} 183 and name HB#) (resid {Y} 27 and name HD*) 1.8 0.0 5.0
assign (resid {A} 183 and name HB#) (resid {Y} 27 and name HE*) 1.8 0.0 5.7
!L63 (nothing interpretable)
!A30
assign (resid {A} 30 and name HN) (resid {G139} 30 and name HA#) 1.8 0.0 3.2
!E50 {Hb NOE'S to F163 misassigned b/g's in HCCH?)
assign (resid {E} 50 and name HN) (resid {E} 50 and name HA) 1.8 0.0 2.2
assign (resid {E} 50 and name HN) (resid {T} 49 and name HA) 1.8 0.0 1.5
assign (resid {E} 50 and name HN) (resid {T} 49 and name HB) 1.8 0.0 1.5
assign ((resid {E} 50 and name HN)) ((resid {E} 50 and name HB1) or
(resid {E} 50 and name HB2)) 1.8 0.0 2.2 !
assign ((resid {E} 50 and name HN)) ((resid {E} 50 and name HG1) or
(resid {E} 50 and name HG2)) 1.8 0.0 2.2 !
assign (resid {E} 50 and name HN) (resid {A} 51 and name HB#) 1.8 0.0 3.0
!assign (resid {E} 50 and name HN) (resid {T} 52 and name HG2#) 1.8 0.0 4.7
assign ((resid {E} 50 and name HA)) ((resid {E} 50 and name HG1) or
(resid {E} 50 and name HG2)) 1.8 0.0 1.5 !
assign (resid {E} 50 and name HB1) (resid {F} 163 and name HD*) 1.8 0.0 6.2
assign (resid {E} 50 and name HB2) (resid {F} 163 and name HD*) 1.8 0.0 5.2
assign ((resid {E} 50 and name HG1) or
(resid {E} 50 and name HG2)) ((resid {F} 163 and name HD*)) 1.8 0.0 4.2 !
!R112
assign (resid {R} 112 and name HN) (resid {Q} 111 and name HA) 1.8 0.0 1.5
! T103
assign (resid {T} 103 and name HN) (resid {T} 103 and name HA) 1.8 0.0 2.2
assign (resid {T} 103 and name HN) (resid {W} 102 and name HA) 1.8 0.0 1.0
assign (resid {T} 103 and name HN) (resid {T} 103 and name HB) 1.8 0.0 1.5
assign (resid {T} 103 and name HN) (resid {W} 102 and name HB#) 1.8 0.0 2.5
assign (resid {T} 103 and name HN) (resid {W} 102 and name HZ3) 1.8 0.0 3.2
assign ((resid {T} 103 and name HA)) ((resid {I} 97 and name HD1#)) 1.8 0.0 4.7 !
assign (resid {T} 103 and name HG2#) (resid {I} 97 and name HD1#) 1.8 0.0 4.0
assign (resid {T} 103 and name HG2#) (resid {V} 118 and name HB) 1.8 0.0 4.7
!L143
assign (resid {L} 143 and name HN) (resid {W} 142 and name HA) 1.8 0.0 1.0
assign (resid {L} 143 and name HN) (resid {Y} 27 and name HD*) 1.8 0.0 5.2
assign (resid {L} 143 and name HN) (resid {L} 143 and name HB1) 1.8 0.0 2.2
assign (resid {L} 143 and name HN) (resid {L} 143 and name HB2) 1.8 0.0 3.2
assign (resid {L} 143 and name HN) (resid {L} 143 and name HG) 1.8 0.0 3.2
!A152 ( Ha 3.67, Hb 1.27, Ca 54.39, Cb 18.29)
assign ((resid {A} 152 and name HA)) ((resid {L} 149 and name HD1#) or
(resid {L} 149 and name HD2#)) 1.8 0.0 3.7 !
assign ((resid {A} 152 and name HA)) ((resid {V} 151 and name HG1#) or
(resid {V} 151 and name HG2#)) 1.8 0.0 4.2 !
assign (resid {A} 152 and name HB#) (resid {L} 149 and name HD*) 1.8 0.0 5.4
assign (resid {A} 152 and name HB#) (resid {Y} 159 and name HB2) 1.8 0.0 4.7
!L55
assign ((resid {L} 55 and name HN)) ((resid {G} 54 and name HA1)) 1.8 0.0 1.5 !
assign ((resid {L} 55 and name HN)) ((resid {G} 54 and name HA2)) 1.8 0.0 1.5 !
assign ((resid {L} 55 and name HN)) ((resid {G} 145 and name HA2)) 1.8 0.0 2.2 !
assign ((resid {L} 55 and name HN)) ((resid {L} 55 and name HB1) or
(resid {L} 55 and name HB2)) 1.8 0.0 1.0 !
assign (resid {L} 55 and name HB1) (resid {L} 55 and name HA) 1.8 0.0 1.5
assign (resid {L} 55 and name HB2) (resid {L} 55 and name HA) 1.8 0.0 1.5
assign (resid {L} 55 and name HB1) (resid {A} 158 and name HA) 1.8 0.0 3.5
assign (resid {L} 55 and name HB2) (resid {A} 158 and name HA) 1.8 0.0 4.2
assign (resid {L} 55 and name HB1) (resid {G} 145 and name HA2) 1.8 0.0 3.5
assign (resid {L} 55 and name HB2) (resid {G} 145 and name HA2) 1.8 0.0 3.5
assign ((resid {L} 55 and name HG)) ((resid {L} 149 and name HD1#) or
(resid {L} 149 and name HD2#)) 1.8 0.0 3.0 !
assign ((resid {L} 55 and name HG)) ((resid {Y} 159 and name HB1)) 1.8 0.0 4.2 {vw 2.79}!
assign ((resid {L} 55 and name HG)) ((resid {Y} 159 and name HE*)) 1.8 0.0 4.2 !
assign ((resid {L} 55 and name HG)) ((resid {G} 145 and name HA1)) 1.8 0.0 2.2 !
assign ((resid {L} 55 and name HD1#)) ((resid {V} 151 and name HG1#) or
(resid {V} 151 and name HG2#)) 1.8 0.0 4.5 !
assign ((resid {L} 55 and name HD2#)) ((resid {V} 151 and name HG1#) or
(resid {V} 151 and name HG2#)) 1.8 0.0 4.5 !
assign (resid {L} 55 and name HD1#) (resid {A} 152 and name HB#) 1.8 0.0 5.2
assign (resid {L} 55 and name HD2#) (resid {A} 152 and name HB#) 1.8 0.0 4.5
assign (resid {L} 55 and name HD1#) (resid {A} 152 and name HA) 1.8 0.0 3.7
assign (resid {L} 55 and name HD2#) (resid {A} 152 and name HA) 1.8 0.0 3.7
assign (resid {L} 55 and name HD1#) (resid {L} 55 and name HA) 1.8 0.0 3.0
assign (resid {L} 55 and name HD2#) (resid {L} 55 and name HA) 1.8 0.0 3.0
assign (resid {L} 55 and name HD1#) (resid {G} 145 and name HA1) 1.8 0.0 4.7
assign (resid {L} 55 and name HD2#) (resid {G} 145 and name HA1) 1.8 0.0 4.7
assign (resid {L} 55 and name HD1#) (resid {Y} 159 and name HD*) 1.8 0.0 5.7
assign (resid {L} 55 and name HD2#) (resid {Y} 159 and name HD*) 1.8 0.0 5.7
!A72 ( 8.94 pl 124.48 HA 4.80 BMe 0.69 never change again!!!!)
assign (resid {A} 72 and name HN) (resid {L} 71 and name HA) 1.8 0.0 1.0
assign (resid {A} 72 and name HN) (resid {A} 72 and name HA) 1.8 0.0 2.2
assign (resid {A} 72 and name HN) (resid {M} 80 and name HA) 1.8 0.0 3.2
assign (resid {A} 72 and name HN) (resid {L} 55 and name HA) 1.8 0.0 3.2
assign ((resid {A} 72 and name HN)) ((resid {Q} 79 and name HG1) or
(resid {Q} 79 and name HG2)) 1.8 0.0 3.2 !
assign (resid {A} 72 and name HN) (resid {L} 71 and name HB2) 1.8 0.0 3.2
assign (resid {A} 72 and name HN) (resid {I} 56 and name HB) 1.8 0.0 3.2
assign (resid {A} 72 and name HN) (resid {V} 78 and name HG1#) 1.8 0.0 3.0
assign (resid {A} 72 and name HN) (resid {A} 72 and name HB#) 1.8 0.0 3.0
assign (resid {A} 72 and name HN) (resid {I} 56 and name HD1#) 1.8 0.0 3.0
assign (resid {A} 72 and name HB#) (resid {L} 71 and name HA) 1.8 0.0 3.7
assign (resid {A} 72 and name HB#) (resid {L} 55 and name HA) 1.8 0.0 3.0
assign (resid {A} 72 and name HB#) (resid {Y} 159 and name HA) 1.8 0.0 4.7
assign (resid {A} 72 and name HB#) (resid {Y} 159 and name HE*) 1.8 0.0 5.0
assign (resid {A} 72 and name HB#) (resid {Y} 159 and name HD*) 1.8 0.0 5.7
assign (resid {A} 72 and name HB#) (resid {L} 71 and name HN) 1.8 0.0 3.0
assign (resid {A} 72 and name HB#) (resid {L} 57 and name HN) 1.8 0.0 3.7
assign (resid {A} 72 and name HB#) (resid {V} 74 and name HN) 1.8 0.0 4.7
assign ((resid {A} 72 and name HN)) ((resid {L} 55 and name HB2) or
(resid {L} 55 and name HB1)) 1.8 0.0 3.7 !
!I56
assign ((resid {I} 56 and name HA)) ((resid {I} 56 and name HB)) 1.8 0.0 2.2
assign ((resid {I} 56 and name HA)) ((resid {I} 56 and name HG11)) 1.8 0.0 2.2
assign ((resid {I} 56 and name HA)) ((resid {L} 55 and name HG)) 1.8 0.0 2.2
assign ((resid {I} 56 and name HA)) ((resid {I} 56 and name HG12)) 1.8 0.0 2.2
assign ((resid {I} 56 and name HA)) ((resid {I} 56 and name HD1#)) 1.8 0.0 4.7
assign ((resid {I} 56 and name HA)) ((resid {I} 56 and name HG2#)) 1.8 0.0 3.0
assign ((resid {I} 56 and name HA)) ((resid {I} 56 and name HN)) 1.8 0.0 3.2
assign ((resid {I} 56 and name HB)) ((resid {I} 56 and name HD1#)) 1.8 0.0 3.7
assign ((resid {I} 56 and name HB)) ((resid {I} 56 and name HG2#)) 1.8 0.0 3.0
assign ((resid {I} 56 and name HB)) ((resid {L} 71 and name HD1#)) 1.8 0.0 3.7
assign ((resid {I} 56 and name HB)) ((resid {A} 72 and name HA)) 1.8 0.0 3.2
assign ((resid {I} 56 and name HB)) ((resid {A} 72 and name HN)) 1.8 0.0 3.2
assign ((resid {I} 56 and name HG11) or
(resid {I} 56 and name HG12)) ((resid {L} 55 and name HA)) 1.8 0.0 4.7 !
assign ((resid {I} 56 and name HG11) or
(resid {I} 56 and name HG12)) ((resid {A} 72 and name HB#)) 1.8 0.0 4.7 !
assign ((resid {I} 56 and name HG2#)) ((resid {L} 57 and name HA)) 1.8 0.0 3.7 !
assign ((resid {I} 56 and name HG2#)) ((resid {L} 55 and name HA)) 1.8 0.0 4.7 !
assign ((resid {I} 56 and name HD1#)) ((resid {I} 73 and name HA)) 1.8 0.0 3.7
assign ((resid {I} 56 and name HD1#)) ((resid {V} 78 and name HA)) 1.8 0.0 4.7
assign ((resid {I} 56 and name HD1#)) ((resid {A} 72 and name HA)) 1.8 0.0 3.7
assign ((resid {I} 56 and name HD1#)) ((resid {L} 71 and name HA)) 1.8 0.0 3.7
assign ((resid {I} 56 and name HD1#)) ((resid {Q} 79 and name HN)) 1.8 0.0 4.2
assign ((resid {I} 56 and name HD1#)) ((resid {L} 71 and name HN)) 1.8 0.0 3.7
assign ((resid {I} 56 and name HD1#)) ((resid {V} 78 and name HG2#)) 1.8 0.0 4.0
assign ((resid {I} 56 and name HD1#)) ((resid {I} 73 and name HD1#)) 1.8 0.0 4.0
assign (resid {I} 56 and name HD1#) (resid {F} 163 and name HD*) 1.8 0.0 6.2
assign (resid {I} 56 and name HD1#) (resid {F} 163 and name HE*) 1.8 0.0 5.7
!L149
assign (resid {L} 149 and name HA) (resid {Y} 159 and name HD*) 1.8 0.0 6.2 {vw 6.97}
assign (resid {L} 149 and name HA) (resid {Y} 159 and name HE*) 1.8 0.0 6.2 {vw 6.52}
assign (resid {L} 149 and name HN) (resid {R} 148 and name HA) 1.8 0.0 2.2
assign ((resid {L} 149 and name HN)) ((resid {L} 149 and name HB2) or
(resid {L} 149 and name HB1)) 1.8 0.0 1.0 !
assign ((resid {L} 149 and name HN)) ((resid {L} 149 and name HD1#) or
(resid {L} 149 and name HD2#)) 1.8 0.0 3.7 !
!assign (resid {L} 149 and name HA) (resid {G} 144 and name HA1) 1.8 0.0 2.2
!assign (resid {L} 149 and name HA) (resid {G} 145 and name HA2) 1.8 0.0 3.2
assign (resid {L} 149 and name HA) (resid {L} 149 and name HG) 1.8 0.0 3.2
assign ((resid {L} 149 and name HA)) ((resid {L} 149 and name HD2#) or
(resid {L} 149 and name HD1#)) 1.8 0.0 3.0 !
assign ((resid {L} 149 and name HD2#) or
(resid {L} 149 and name HD1#)) ((resid {L} 55 and name HD1#)) 1.8 0.0 5.2 !
assign ((resid {L} 149 and name HD2#) or
(resid {L} 149 and name HD1#)) ((resid {L} 55 and name HD2#)) 1.8 0.0 5.2 !
assign ((resid {L} 149 and name HD2#) or
(resid {L} 149 and name HD1#)) ((resid {W} 58 and name HB2)) 1.8 0.0 4.7 !
assign ((resid {L} 149 and name HD2#) or
(resid {L} 149 and name HD1#)) ((resid {V} 151 and name HG1#) or
(resid {V} 151 and name HG2#)) 1.8 0.0 4.5 !
!I97
assign (resid {I} 97 and name HN) (resid {F} 77 and name HA) 1.8 0.0 2.2
assign (resid {I} 97 and name HN) (resid {I} 97 and name HA) 1.8 0.0 2.2
assign (resid {I} 97 and name HN) (resid {I} 96 and name HA) 1.8 0.0 1.5
assign ((resid {I} 97 and name HN)) ((resid {P} 96 and name HB2) or
(resid {P} 96 and name HB1)) 1.8 0.0 3.2 !
assign (resid {I} 97 and name HN) (resid {I} 97 and name HB) 1.8 0.0 1.5
assign (resid {I} 97 and name HN) (resid {I} 97 and name HD1#) 1.8 0.0 3.7
assign (resid {I} 97 and name HN) (resid {I} 97 and name HG2#) 1.8 0.0 2.5
assign (resid {I} 97 and name HA) (resid {I} 97 and name HB) 1.8 0.0 1.5
assign (resid {I} 97 and name HA) (resid {I} 97 and name HD1#) 1.8 0.0 2.5
assign (resid {I} 97 and name HA) (resid {T} 103 and name HB) 1.8 0.0 3.2
! Note 97 HG2 part ovlps with I47 HG2 from pl 14.62
assign ((resid {I} 97 and name HG2#)) ((resid {F} 77 and name HD*)) 1.8 0.0 4.5
assign ((resid {I} 97 and name HG2#)) ((resid {F} 77 and name HE*)) 1.8 0.0 5.0
assign ((resid {I} 97 and name HG2#)) ((resid {P} 96 and name HA)) 1.8 0.0 4.7
assign ((resid {I} 97 and name HG2#)) ((resid {N} 98 and name HA)) 1.8 0.0 4.7
assign ((resid {I} 97 and name HG2#)) ((resid {F} 77 and name HA)) 1.8 0.0 4.7
!assign ((resid {I} 97 and name HG2#)) ((resid {F} 77 and name HB2)) 1.8 0.0 3.7
assign ((resid {I} 97 and name HG2#)) ((resid {V} 78 and name HN)) 1.8 0.0 5.7 {vw, D2O 10.02}
assign (resid {I} 97 and name HD1#) (resid {T} 103 and name HB) 1.8 0.0 2.5
assign (resid {I} 97 and name HD1#) (resid {T} 103 and name HN) 1.8 0.0 4.7
assign ((resid {I} 97 and name HD1#)) ((resid {V} 78 and name HN)) 1.8 0.0 4.7
assign ((resid {I} 97 and name HD1#)) ((resid {T} 47 and name HN)) 1.8 0.0 4.7
assign (resid {I} 97 and name HD1#) (resid {V} 78 and name HB) 1.8 0.0 4.7
!M25 [HE# 1.80, 18.81]
assign ((resid {M} 25 and name HE#)) ((resid {I} 167 and name HD1#)) 1.8 0.0 6.2 !
assign ((resid {M} 25 and name HE#)) ((resid {I} 17 and name HG2#)) 1.8 0.0 4.0 !
assign ((resid {M} 25 and name HE#)) ((resid {I} 17 and name HG11) or
(resid {I} 17 and name HG11)) 1.8 0.0 4.2 !
assign ((resid {M} 25 and name HE#)) ((resid {L} 179 and name HD2#)) 1.8 0.0 4.5 !
assign ((resid {M} 25 and name HE#)) ((resid {M} 25 and name HN)) 1.8 0.0 5.7 {vw 9.79 D2O} !
assign ((resid {M} 25 and name HE#)) ((resid {M} 25 and name HA)) 1.8 0.0 5.7 {vw 5.65} !
assign ((resid {M} 25 and name HE#)) ((resid {A} 18 and name HA)) 1.8 0.0 5.7 {vw 5.65} !
!assign ((resid {M} 25 and name HE#)) ((resid {D} 20 and name HA)) 1.8 0.0 4.7 !
assign ((resid {M} 25 and name HE#)) ((resid {F} 19 and name HA)) 1.8 0.0 4.7 !
assign ((resid {M} 25 and name HE#)) ((resid {L} 179 and name HA)) 1.8 0.0 4.7 !
assign ((resid {M} 25 and name HE#)) ((resid {I} 189 and name HA)) 1.8 0.0 4.7 !
assign (resid {M} 25 and name HE#) (resid {F} 19 and name HZ) 1.8 0.0 2.5 !
assign (resid {M} 25 and name HE#) (resid {F} 19 and name HE*) 1.8 0.0 5.7 !
assign (resid {M} 25 and name HE#) (resid {F} 19 and name HD*) 1.8 0.0 5.7 !
assign (resid {M} 25 and name HE#) (resid {Y} 27 and name HE*) 1.8 0.0 5.7
!M81 [HE# 1.09, 16.19]
assign (resid {M} 81 and name HN) (resid {M} 80 and name HA) 1.8 0.0 1.0
assign ((resid {M} 81 and name HN)) ((resid {M} 80 and name HB1) or
(resid {M} 80 and name HB2)) 1.8 0.0 3.2 !
assign ((resid {M} 81 and name HN)) ((resid {M} 80 and name HG2) or
(resid {M} 80 and name HG1)) 1.8 0.0 3.2 !
assign (resid {M} 81 and name HN) (resid {M} 81 and name HE#) 1.8 0.0 3.0
assign ((resid {M} 81 and name HE#)) ((resid {L} 55 and name HD1#) or
(resid {L} 55 and name HD2#)) 1.8 0.0 4.0
assign ((resid {M} 81 and name HE#)) ((resid {A} 152 and name HA)) 1.8 0.0 3.7 !
assign ((resid {M} 81 and name HE#)) ((resid {W} 58 and name HZ3)) 1.8 0.0 3.7 !
assign ((resid {M} 81 and name HE#)) ((resid {L} 55 and name HA)) 1.8 0.0 4.7 !
assign ((resid {M} 81 and name HE#)) ((resid {W} 58 and name HB1)) 1.8 0.0 4.7 !
assign ((resid {M} 81 and name HE#)) ((resid {W} 58 and name HB2)) 1.8 0.0 4.7 !
! M80 [HE# 2.05, 19.33]
assign (resid {M} 80 and name HN) (resid {Q} 79 and name HA) 1.8 0.0 1.0
assign (resid {M} 80 and name HN) (resid {R} 92 and name HA) 1.8 0.0 2.2
assign (resid {M} 80 and name HN) (resid {L} 116 and name HD2#) 1.8 0.0 2.5
assign (resid {M} 80 and name HA) (resid {L} 71 and name HD1#) 1.8 0.0 3.7
assign (resid {M} 80 and name HA) (resid {M} 81 and name HE#) 1.8 0.0 4.7
assign ((resid {M} 80 and name HE#)) ((resid {Y} 108 and name HN)) 1.8 0.0 2.5 !
assign ((resid {M} 80 and name HE#)) ((resid {L} 116 and name HN)) 1.8 0.0 2.5 !
assign ((resid {M} 80 and name HE#)) ((resid {Y} 82 and name HE*)) 1.8 0.0 4.5 !
assign ((resid {M} 80 and name HE#)) ((resid {F} 43 and name HD*)) 1.8 0.0 5.7 !
assign ((resid {M} 80 and name HE#)) ((resid {A} 107 and name HA)) 1.8 0.0 4.7 !
assign ((resid {M} 80 and name HE#)) ((resid {G} 114 and name HA2)) 1.8 0.0 3.7 !
assign ((resid {M} 80 and name HE#)) ((resid {G} 114 and name HA1)) 1.8 0.0 4.7 !
assign ((resid {M} 80 and name HE#)) ((resid {L} 116 and name HA)) 1.8 0.0 4.7 !
assign ((resid {M} 80 and name HE#)) ((resid {R} 109 and name HA)) 1.8 0.0 4.7 !
assign ((resid {M} 80 and name HE#)) ((resid {A} 107 and name HB#)) 1.8 0.0 4.0 !
assign ((resid {M} 80 and name HE#)) ((resid {L} 91 and name HD1#) or
(resid {L} 91 and name HD2#)) 1.8 0.0 4.0 !
assign ((resid {M} 80 and name HE#)) ((resid {L} 91 and name HB1)) 1.8 0.0 3.7 !
assign ((resid {M} 80 and name HE#)) ((resid {V} 89 and name HG1#)) 1.8 0.0 5.2 !
!N41 (HN ovlps M80, Ha ovlp w E50)
assign (resid {N} 41 and name HN) (resid {N} 41 and name HA) 1.8 0.0 3.2
assign (resid {N} 41 and name HN) (resid {S} 40 and name HA) 1.8 0.0 1.0
assign (resid {N} 41 and name HA) (resid {F} 43 and name HE*) 1.8 0.0 3.5
!N98
assign (resid {N} 98 and name HN) (resid {N} 98 and name HA) 1.8 0.0 1.5
assign ((resid {N} 98 and name HN)) ((resid {T} 99 and name HB)) 1.8 0.0 3.2 !
assign (resid {N} 98 and name HN) (resid {P} 96 and name HA) 1.8 0.0 2.2
assign (resid {N} 98 and name HN) (resid {N} 98 and name HB1) 1.8 0.0 2.2
assign (resid {N} 98 and name HN) (resid {N} 98 and name HB2) 1.8 0.0 2.2
assign (resid {N} 98 and name HN) (resid {I} 97 and name HB) 1.8 0.0 2.2
assign (resid {N} 98 and name HN) (resid {I} 97 and name HG2#) 1.8 0.0 3.0
!E147
assign ((resid {E} 147 and name HN)) ((resid {M} 146 and name HB2) or
(resid {M} 146 and name HB1)) 1.8 0.0 3.2 !
assign ((resid {E} 147 and name HN)) ((resid {R} 148 and name HD#)) 1.8 0.0 3.2 !
!L177
assign (resid {L} 177 and name HN) (resid {E} 176 and name HA) 1.8 0.0 1.5
assign ((resid {L} 177 and name HN)) ((resid {L} 177 and name HD2#) or
(resid {L} 177 and name HD1#)) 1.8 0.0 3.2 !
!L71
assign (resid {L} 71 and name HN) (resid {W} 58 and name HA) 1.8 0.0 3.2
assign ((resid {L} 71 and name HN)) ((resid {L} 71 and name HD1#)) 1.8 0.0 3.0 !
assign ((resid {L} 71 and name HN)) ((resid {L} 71 and name HD2#)) 1.8 0.0 4.7 !
assign ((resid {L} 71 and name HB1)) ((resid {L} 57 and name HD2#)) 1.8 0.0 3.7 !
assign ((resid {L} 71 and name HB2)) ((resid {L} 57 and name HD2#)) 1.8 0.0 3.7 !
assign ((resid {L} 71 and name HB1)) ((resid {L} 71 and name HD2#)) 1.8 0.0 3.7 !
assign ((resid {L} 71 and name HB2)) ((resid {L} 71 and name HD2#)) 1.8 0.0 3.7 !
assign ((resid {L} 71 and name HB1)) ((resid {L} 71 and name HD1#)) 1.8 0.0 3.7 !
assign ((resid {L} 71 and name HB2)) ((resid {L} 71 and name HD1#)) 1.8 0.0 3.7 !
assign ((resid {L} 71 and name HB1)) ((resid {L} 57 and name HD1#)) 1.8 0.0 3.0 !
!C192
assign (resid {C} 192 and name HN) (resid {H} 191 and name HA) 1.8 0.0 1.5
assign (resid {C} 192 and name HN) (resid {I} 17 and name HA) 1.8 0.0 3.2
assign (resid {C} 192 and name HN) (resid {C} 192 and name HA) 1.8 0.0 3.2
assign (resid {C} 192 and name HN) (resid {H} 191 and name HB1) 1.8 0.0 2.2
assign (resid {C} 192 and name HN) (resid {H} 191 and name HB2) 1.8 0.0 3.2
assign (resid {C} 192 and name HN) (resid {C} 192 and name HB1) 1.8 0.0 2.2
assign (resid {C} 192 and name HN) (resid {C} 192 and name HB2) 1.8 0.0 2.2
assign (resid {C} 192 and name HN) (resid {A} 18 and name HB#) 1.8 0.0 4.7
assign (resid {C} 192 and name HA) (resid {A} 18 and name HB#) 1.8 0.0 2.5
assign (resid {C} 192 and name HA) (resid {A} 16 and name HB#) 1.8 0.0 3.7
assign ((resid {C} 192 and name HB1)) ((resid {A} 16 and name HB#)) 1.8 0.0 3.0 !
assign ((resid {C} 192 and name HB2)) ((resid {A} 16 and name HB#)) 1.8 0.0 3.0 !
assign ((resid {C} 192 and name HB1)) ((resid {A} 18 and name HB#)) 1.8 0.0 4.7 !
assign ((resid {C} 192 and name HB2)) ((resid {A} 18 and name HB#)) 1.8 0.0 4.7 !
assign ((resid {C} 192 and name HB1) or
(resid {C} 192 and name HB2)) ((resid {C} 166 and name HB#)) 1.8 0.0 3.2 !
!D138
assign (resid {D} 138 and name HN) (resid {K} 61 and name HA) 1.8 0.0 3.2
assign ((resid {D} 138 and name HN)) ((resid {K} 61 and name HB#) or
(resid {K} 61 and name HG#)) 1.8 0.0 2.2 !
!R168
assign (resid {R} 168 and name HN) (resid {I} 167 and name HA) 1.8 0.0 1.0
assign (resid {R} 168 and name HN) (resid {S} 46 and name HB1) 1.8 0.0 3.2
assign ((resid {R} 168 and name HN)) ((resid {R} 168 and name HB1) or
(resid {R} 168 and name HB2)) 1.8 0.0 2.2 !
assign ((resid {R} 168 and name HN)) ((resid {R} 168 and name HG2) or
(resid {R} 168 and name HG1)) 1.8 0.0 2.7 !
!assign (resid {R} 168 and name HN) (resid {L} 179 and name HD2#) 1.8 0.0 3.0
assign ((resid {R} 168 and name HN)) ((resid {V} 170 and name HG1#) or
(resid {V} 170 and name HG2#)) 1.8 0.0 3.0 !
assign (resid {R} 168 and name HN) (resid {I} 47 and name HG2#) 1.8 0.0 3.2
assign (resid {R} 168 and name HG1) (resid {A} 14 and name HA) 1.8 0.0 4.2 {vw}
assign (resid {R} 168 and name HG2) (resid {A} 14 and name HA) 1.8 0.0 4.2 {vw}
!I73 (HCCH ovlp)
assign (resid {I} 73 and name HN) (resid {Q} 53 and name HA) 1.8 0.0 3.2
!assign (resid {I} 73 and name HN) (resid {I} 72 and name HA) 1.8 0.0 1.5
assign ((resid {I} 73 and name HN)) ((resid {Q} 79 and name HG1) or
(resid {Q} 79 and name HG2)) 1.8 0.0 3.2 { 2.41w}!
assign ((resid {I} 73 and name HN)) ((resid {I} 73 and name HG12) or
(resid {I} 73 and name HG11)) 1.8 0.0 2.2 !
assign (resid {I} 73 and name HN) (resid {I} 73 and name HB) 1.8 0.0 1.0
assign (resid {I} 73 and name HN) (resid {V} 74 and name HG1#) 1.8 0.0 4.7
assign (resid {I} 73 and name HN) (resid {I} 73 and name HD1#) 1.8 0.0 4.7
assign (resid {I} 73 and name HN) (resid {A} 72 and name HB#) 1.8 0.0 3.0
assign (resid {I} 73 and name HN) (resid {I} 73 and name HG2#) 1.8 0.0 3.7
assign (resid {I} 73 and name HG2#) (resid {V} 78 and name HA) 1.8 0.0 3.7
assign (resid {I} 73 and name HD1#) (resid {F} 163 and name HE*) 1.8 0.0 3.5
assign (resid {I} 73 and name HD1#) (resid {F} 163 and name HD*) 1.8 0.0 4.2
!Q175
assign (resid {Q} 175 and name HN) (resid {Q} 175 and name HA) 1.8 0.0 1.0
assign (resid {Q} 175 and name HN) (resid {R} 174 and name HA) 1.8 0.0 2.2
assign (resid {Q} 175 and name HN) (resid {Q} 175 and name HB1) 1.8 0.0 1.5
assign (resid {Q} 175 and name HN) (resid {Q} 175 and name HB2) 1.8 0.0 3.2
assign (resid {Q} 175 and name HN) (resid {Q} 175 and name HG1) 1.8 0.0 3.2
assign (resid {Q} 175 and name HN) (resid {Q} 175 and name HG2) 1.8 0.0 3.2
assign ((resid {Q} 175 and name HN)) ((resid {R} 174 and name HB1) or
(resid {R} 174 and name HB2)) 1.8 0.0 3.2 !
assign ((resid {Q} 175 and name HN)) ((resid {V} 172 and name HG1#) or
(resid {V} 172 and name HG2#)) 1.8 0.0 4.7 !
assign ((resid {Q} 175 and name HN)) ((resid {L} 177 and name HD2#) or
(resid {L} 177 and name HD1#)) 1.8 0.0 4.7 !
assign (resid {Q} 175 and name HN) (resid {I} 171 and name HG2#) 1.8 0.0 3.0
assign ((resid {Q} 175 and name HG2) or
(resid {Q} 175 and name HG1)) ((resid {V} 31 and name HG1#) or
(resid {V} 31 and name HG2#)) 1.8 0.0 3.0 !
assign ((resid {Q} 175 and name HG2) or
(resid {Q} 175 and name HG1)) ((resid {V} 172 and name HG2#) or
(resid {V} 172 and name HG1#)) 1.8 0.0 3.7 !
!L130 (problems w HCCH)
assign (resid {L} 130 and name HN) (resid {L} 130 and name HG) 1.8 0.0 1.0
assign (resid {L} 130 and name HN) (resid {P} 129 and name HA) 1.8 0.0 1.5
assign (resid {L} 130 and name HN) (resid {L} 130 and name HD*) 1.8 0.0 5.6
assign (resid {L} 130 and name HA) (resid {L} 130 and name HD*) 1.8 0.0 3.4
!D13
assign (resid {D} 13 and name HN) (resid {D} 13 and name HB1) 1.8 0.0 2.2
assign (resid {D} 13 and name HN) (resid {D} 13 and name HB2) 1.8 0.0 2.2
assign ((resid {D} 13 and name HN)) ((resid {G} 12 and name HA#)) 1.8 0.0 1.0 !
!E44
assign (resid {E} 44 and name HN) (resid {F} 43 and name HA) 1.8 0.0 1.0
assign (resid {E} 44 and name HN) (resid {F} 43 and name HD*) 1.8 0.0 4.2
assign (resid {E} 44 and name HN) (resid {I} 172 and name HA) 1.8 0.0 3.2
assign ((resid {E} 44 and name HN)) ((resid {F} 43 and name HB#)) 1.8 0.0 2.5 !
assign ((resid {E} 44 and name HN)) ((resid {E} 44 and name HG2) or
(resid {E} 44 and name HG1)) 1.8 0.0 3.2 !
assign (resid {E} 44 and name HN) (resid {E} 44 and name HB2) 1.8 0.0 3.2
assign (resid {E} 44 and name HN) (resid {E} 44 and name HB1) 1.8 0.0 2.2
assign (resid {E} 44 and name HN) (resid {I} 171 and name HB) 1.8 0.0 2.2
assign ((resid {E} 44 and name HN)) ((resid {I} 171 and name HG11)) 1.8 0.0 3.2 !
assign ((resid {E} 44 and name HN)) ((resid {I} 171 and name HG11)) 1.8 0.0 3.2 !
assign ((resid {E} 44 and name HN)) ((resid {V} 172 and name HG1#)) 1.8 0.0 4.7 !
assign (resid {E} 44 and name HN) (resid {L} 45 and name HD*) 1.8 0.0 5.6
assign ((resid {E} 44 and name HA)) ((resid {K} 106 and name HB#)) 1.8 0.0 4.2 !
assign ((resid {E} 44 and name HA)) ((resid {K} 106 and name HD#)) 1.8 0.0 4.2
assign ((resid {E} 44 and name HA)) ((resid {E} 44 and name HB1)) 1.8 0.0 2.2 !
assign ((resid {E} 44 and name HA)) ((resid {E} 44 and name HB2)) 1.8 0.0 1.5 !
assign ((resid {E} 44 and name HB1)) ((resid {E} 45 and name HD*)) 1.8 0.0 4.6 !
assign ((resid {E} 44 and name HG1)) ((resid {K} 106 and name HA)) 1.8 0.0 3.2 !
assign ((resid {E} 44 and name HG2)) ((resid {K} 106 and name HA)) 1.8 0.0 3.2 !
assign ((resid {E} 44 and name HG1)) ((resid {E} 44 and name HA)) 1.8 0.0 2.2 !
assign ((resid {E} 44 and name HG2)) ((resid {E} 44 and name HA)) 1.8 0.0 2.2 !
assign ((resid {E} 44 and name HG1)) ((resid {F} 43 and name HN)) 1.8 0.0 3.2 !
assign ((resid {E} 44 and name HG2)) ((resid {F} 43 and name HN)) 1.8 0.0 3.2 !
assign ((resid {E} 44 and name HG1)) ((resid {L} 45 and name HN)) 1.8 0.0 3.2 !
assign ((resid {E} 44 and name HG2)) ((resid {L} 45 and name HN)) 1.8 0.0 3.2 !
assign ((resid {E} 44 and name HG1)) ((resid {A} 107 and name HN)) 1.8 0.0 3.2 !
assign ((resid {E} 44 and name HG2)) ((resid {A} 107 and name HN)) 1.8 0.0 3.2 !
assign ((resid {E} 44 and name HG1)) ((resid {K} 106 and name HB#)) 1.8 0.0 3.2 !
assign ((resid {E} 44 and name HG2)) ((resid {K} 106 and name HB#)) 1.8 0.0 3.2 !
assign ((resid {E} 44 and name HG1)) ((resid {K} 106 and name HD#)) 1.8 0.0 3.2 !
assign ((resid {E} 44 and name HG2)) ((resid {K} 106 and name HD#)) 1.8 0.0 3.2 !
!H28
assign (resid {H} 28 and name HN) (resid {A} 140 and name HB#) 1.8 0.0 4.7
assign (resid {H} 28 and name HN) (resid {A} 140 and name HA) 1.8 0.0 4.7
!S193
assign (resid {S} 193 and name HB1) (resid {A} 194 and name HB#) 1.8 0.0 4.7
assign (resid {S} 193 and name HB2) (resid {A} 194 and name HB#) 1.8 0.0 4.7
!N100
assign ((resid {N} 100 and name HN)) ((resid {N} 98 and name HA)) 1.8 0.0 1.5 !
assign ((resid {N} 100 and name HN)) ((resid {T} 49 and name HB)) 1.8 0.0 3.2 !
assign ((resid {N} 100 and name HN)) ((resid {T} 49 and name HG2#)) 1.8 0.0 4.7 !
assign ((resid {N} 100 and name HN)) ((resid {T} 99 and name HG2#)) 1.8 0.0 4.7 !
assign ((resid {N} 100 and name HN)) ((resid {E} 50 and name HB1) or
(resid {E} 50 and name HB2)) 1.8 0.0 4.2 {vw TENT}!
assign ((resid {N} 100 and name HA)) ((resid {K} 48 and name HG1)) 1.8 0.0 2.2
assign ((resid {N} 100 and name HA)) ((resid {K} 48 and name HG2)) 1.8 0.0 2.2
!E26 ( 8.68 pl 120.32)
assign ((resid {E} 26 and name HN)) ((resid {Y} 24 and name HB1)) 1.8 0.0 4.2 {vw}
assign ((resid {E} 26 and name HN)) ((resid {Y} 24 and name HB2)) 1.8 0.0 4.2 {vw}
assign ((resid {E} 26 and name HN)) ((resid {Y} 27 and name HA)) 1.8 0.0 3.2
!H191 + E26
assign (resid {H} 191 and name HN) (resid {H} 191 and name HA) 1.8 0.0 1.5
assign (resid {H} 191 and name HN) (resid {L} 190 and name HA) 1.8 0.0 1.0
assign (resid {H} 191 and name HN) (resid {H} 191 and name HB1) 1.8 0.0 1.5
assign (resid {H} 191 and name HN) (resid {H} 191 and name HB2) 1.8 0.0 1.5
assign (resid {H} 191 and name HN) (resid {L} 190 and name HB2) 1.8 0.0 2.2
assign (resid {H} 191 and name HN) (resid {L} 190 and name HB1) 1.8 0.0 1.5
assign ((resid {H} 191 and name HN)) ((resid {L} 190 and name HD1#)) 1.8 0.0 5.2 !
assign (resid {H} 191 and name HN) (resid {A} 18 and name HB#) 1.8 0.0 5.2
assign (resid {H} 191 and name HN) (resid {I} 189 and name HG2#) 1.8 0.0 5.2
assign (resid {H} 191 and name HA) (resid {H} 191 and name HB1) 1.8 0.0 1.5
assign (resid {H} 191 and name HA) (resid {H} 191 and name HB2) 1.8 0.0 1.0
assign (resid {H} 191 and name HA) (resid {I} 17 and name HD1#) 1.8 0.0 3.7
assign (resid {H} 191 and name HA) (resid {L} 190 and name HD2#) 1.8 0.0 4.7
assign ((resid {H} 191 and name HB1)) ((resid {H} 191 and name HD2)) 1.8 0.0 3.2 !
assign ((resid {H} 191 and name HB1)) ((resid {A} 16 and name HB#)) 1.8 0.0 4.2 !
assign ((resid {H} 191 and name HB2)) ((resid {A} 16 and name HB#)) 1.8 0.0 4.7 !
!E121
assign (resid {E} 121 and name HN) (resid {N} 120 and name HA) 1.8 0.0 2.2
assign (resid {E} 121 and name HN) (resid {E} 121 and name HA) 1.8 0.0 2.2
assign (resid {E} 121 and name HN) (resid {Q} 117 and name HA) 1.8 0.0 3.2
assign (resid {E} 121 and name HN) (resid {N} 119 and name HA#) 1.8 0.0 3.7
assign ((resid {E} 121 and name HN)) ((resid {N} 120 and name HB1) or
(resid {N} 120 and name HB2)) 1.8 0.0 2.2 !
assign (resid {E} 121 and name HN) (resid {E} 121 and name HB1) 1.8 0.0 1.5
assign (resid {E} 121 and name HN) (resid {E} 121 and name HB2) 1.8 0.0 1.5
assign (resid {E} 121 and name HN) (resid {E} 121 and name HG#) 1.8 0.0 2.0
assign (resid {E} 121 and name HN) (resid {A} 122 and name HB#) 1.8 0.0 5.7 {vw 1.41}
assign ((resid {E} 121 and name HN)) ((resid {V} 95 and name HG2#) or
(resid {V} 95 and name HG1#)) 1.8 0.0 5.2 !
!I167
assign (resid {I} 167 and name HN) (resid {C} 166 and name HA) 1.8 0.0 1.0
assign ((resid {I} 167 and name HN)) ((resid {C} 166 and name HB1)) 1.8 0.0 1.5 !
assign (resid {I} 167 and name HN) (resid {I} 167 and name HB) 1.8 0.0 1.5
assign (resid {I} 167 and name HN) (resid {I} 167 and name HG11) 1.8 0.0 2.2
assign (resid {I} 167 and name HN) (resid {I} 167 and name HG12) 1.8 0.0 2.7
assign (resid {I} 167 and name HN) (resid {A} 18 and name HB#) 1.8 0.0 6.2 {vw}
assign (resid {I} 167 and name HN) (resid {I} 167 and name HD1#) 1.8 0.0 4.7
assign ((resid {I} 167 and name HN)) ((resid {I} 17 and name HG2#)) 1.8 0.0 4.7 !
assign ((resid {I} 167 and name HN)) ((resid {L} 179 and name HD2#)) 1.8 0.0 4.7 !
assign (resid {I} 167 and name HA) (resid {I} 167 and name HD1#) 1.8 0.0 4.7
assign (resid {I} 167 and name HA) (resid {I} 167 and name HG2#) 1.8 0.0 4.7
assign ((resid {I} 167 and name HA)) ((resid {I} 167 and name HG12)) 1.8 0.0 1.0 !
assign (resid {I} 167 and name HD1#) (resid {R} 168 and name HN) 1.8 0.0 4.7
assign (resid {I} 167 and name HD1#) (resid {C} 166 and name HA) 1.8 0.0 2.2
assign ((resid {I} 167 and name HD1#)) ((resid {C} 166 and name HB2)) 1.8 0.0 4.7 !
assign ((resid {I} 167 and name HD1#)) ((resid {F} 19 and name HB2)) 1.8 0.0 4.7 !
assign ((resid {I} 167 and name HD1#)) ((resid {F} 163 and name HB2) or
(resid {F} 163 and name HB1)) 1.8 0.0 3.2 !
assign (resid {I} 167 and name HN) (resid {F} 19 and name HZ) 1.8 0.0 3.2
assign (resid {I} 167 and name HN) (resid {F} 19 and name HD*) 1.8 0.0 5.2
assign (resid {I} 167 and name HN) (resid {F} 19 and name HE*) 1.8 0.0 5.2
assign (resid {I} 167 and name HA) (resid {F} 163 and name HE*) 1.8 0.0 4.2
assign (resid {I} 167 and name HB) (resid {F} 19 and name HZ) 1.8 0.0 3.2
assign (resid {I} 167 and name HD1#) (resid {F} 19 and name HD*) 1.8 0.0 6.7
assign (resid {I} 167 and name HD1#) (resid {F} 19 and name HZ) 1.8 0.0 3.0
assign (resid {I} 167 and name HD1#) (resid {F} 163 and name HE*) 1.8 0.0 5.7
!L184 (misassigned to ala before)
assign (resid {L} 184 and name HN) (resid {A} 183 and name HB#) 1.8 0.0 2.5
assign (resid {L} 184 and name HN) (resid {L} 184 and name HD1#) 1.8 0.0 4.7
!V170
assign (resid {V} 170 and name HN) (resid {D} 169 and name HA) 1.8 0.0 1.0
assign (resid {V} 170 and name HG1#) (resid {I} 171 and name HN) 1.8 0.0 3.0
assign (resid {V} 170 and name HG2#) (resid {I} 171 and name HN) 1.8 0.0 3.0
assign (resid {V} 170 and name HG1#) (resid {V} 170 and name HN) 1.8 0.0 3.7
assign (resid {V} 170 and name HG2#) (resid {V} 170 and name HN) 1.8 0.0 3.0
assign ((resid {V} 170 and name HG1#)) ((resid {L} 45 and name HA)) 1.8 0.0 4.7 !
assign ((resid {V} 170 and name HG2#)) ((resid {L} 45 and name HA)) 1.8 0.0 4.7 !
!assign ((resid {V} 170 and name HG1#)) ((resid {E} 44 and name HA)) 1.8 0.0 5.7 !
!assign ((resid {V} 170 and name HG2#)) ((resid {E} 44 and name HA)) 1.8 0.0 5.7 !
!T133
assign (resid {T} 133 and name HA) (resid {L} 84 and name HD1#) 1.8 0.0 4.7
!L57
assign (resid {L} 57 and name HN) (resid {L} 57 and name HA) 1.8 0.0 1.0
assign (resid {L} 57 and name HN) (resid {W} 58 and name HA) 1.8 0.0 3.2
assign (resid {L} 57 and name HN) (resid {L} 71 and name HA) 1.8 0.0 3.2
assign (resid {L} 57 and name HN) (resid {A} 71 and name HB2) 1.8 0.0 3.7
assign (resid {L} 57 and name HN) (resid {W} 58 and name HB1) 1.8 0.0 4.2 {vw 3.08}
assign ((resid {L} 57 and name HN)) ((resid {L} 143 and name HD1#) or
(resid {L} 143 and name HD2#)) 1.8 0.0 5.7 {vw}!
assign ((resid {L} 57 and name HA)) ((resid {W} 58 and name HB#)) 1.8 0.0 4.2 !
assign ((resid {L} 57 and name HN)) ((resid {L} 143 and name HD1#) or
(resid {L} 143 and name HD2#)) 1.8 0.0 3.7 !
assign ((resid {L} 57 and name HB2) or
(resid {L} 57 and name HB1)) ((resid {L} 143 and name HD1#) or
(resid {L} 143 and name HD2#)) 1.8 0.0 3.0 !
assign ((resid {L} 57 and name HB1)) ((resid {L} 45 and name HD*)) 1.8 0.0 5.6 !
assign ((resid {L} 57 and name HB2)) ((resid {L} 45 and name HD*)) 1.8 0.0 5.6 !
assign ((resid {L} 57 and name HB1)) ((resid {L} 71 and name HB2)) 1.8 0.0 2.2 !
assign ((resid {L} 57 and name HB2)) ((resid {L} 71 and name HB2)) 1.8 0.0 2.2 !
assign ((resid {L} 57 and name HD*)) ((resid {L} 71 and name HD1#)) 1.8 0.0 4.9 !
assign ((resid {L} 57 and name HD1#)) ((resid {W} 58 and name HN)) 1.8 0.0 4.7 !
assign ((resid {L} 57 and name HD2#)) ((resid {W} 58 and name HN)) 1.8 0.0 4.7 !
assign ((resid {L} 57 and name HD1#)) ((resid {F} 43 and name HD*)) 1.8 0.0 5.0 !
assign ((resid {L} 57 and name HD2#)) ((resid {F} 43 and name HD*)) 1.8 0.0 4.5 !
assign ((resid {L} 57 and name HD2#)) ((resid {L} 57 and name HA)) 1.8 0.0 3.7 !
assign ((resid {L} 57 and name HD2#)) ((resid {W} 58 and name HA)) 1.8 0.0 3.0 !
assign ((resid {L} 57 and name HD1#)) ((resid {L} 57 and name HA)) 1.8 0.0 4.7 !
assign ((resid {L} 57 and name HD1#)) ((resid {W} 58 and name HA)) 1.8 0.0 4.7 !
assign ((resid {L} 57 and name HD1#)) ((resid {L} 143 and name HD*)) 1.8 0.0 4.9 !
assign ((resid {L} 57 and name HD2#)) ((resid {L} 143 and name HD*)) 1.8 0.0 4.9 !
assign ((resid {L} 57 and name HD2#)) ((resid {G} 144 and name HN)) 1.8 0.0 4.7 !
assign ((resid {L} 57 and name HD2#)) ((resid {I} 69 and name HN)) 1.8 0.0 4.7 !
!R22 (too fuzzy)
assign (resid {R} 22 and name HN) (resid {D} 20 and name HA) 1.8 0.0 3.2
assign (resid {R} 22 and name HN) (resid {R} 22 and name HA) 1.8 0.0 1.5
assign (resid {R} 22 and name HN) (resid {G} 21 and name HA2) 1.8 0.0 2.2
assign ((resid {R} 22 and name HN)) ((resid {D} 20 and name HB2) or
(resid {D} 20 and name HB1)) 1.8 0.0 2.2 !
assign (resid {R} 22 and name HN) (resid {R} 22 and name HG#) 1.8 0.0 3.2
assign (resid {R} 22 and name HN) (resid {R} 22 and name HB1) 1.8 0.0 1.5
assign (resid {R} 22 and name HN) (resid {R} 22 and name HB2) 1.8 0.0 1.5
assign (resid {R} 22 and name HA) (resid {R} 22 and name HB2) 1.8 0.0 1.0
!E35
assign ((resid {E} 35 and name HN)) ((resid {S} 34 and name HB1) or
(resid {S} 34 and name HB2)) 1.8 0.0 3.2 !
!E15
assign (resid {E} 15 and name HN) (resid {E} 15 and name HA) 1.8 0.0 1.0
assign (resid {E} 15 and name HN) (resid {E} 15 and name HB#) 1.8 0.0 3.2
assign (resid {E} 15 and name HN) (resid {E} 15 and name HG1) 1.8 0.0 3.2
assign (resid {E} 15 and name HN) (resid {E} 15 and name HG1) 1.8 0.0 3.2
assign (resid {E} 15 and name HN) (resid {A} 14 and name HB#) 1.8 0.0 4.7
!V110
assign (resid {V} 110 and name HN) (resid {V} 110 and name HB) 1.8 0.0 1.0
assign ((resid {V} 110 and name HN)) ((resid {E} 113 and name HB1) or
(resid {E} 113 and name HB2)) 1.8 0.0 3.2 !
assign ((resid {V} 110 and name HN)) ((resid {R} 109 and name HG2) or
(resid {R} 109 and name HG1)) 1.8 0.0 2.2 !
assign ((resid {V} 110 and name HN)) ((resid {R} 109 and name HG1) or
(resid {R} 109 and name HG2)) 1.8 0.0 2.2 !
!S128
assign (resid {S} 128 and name HN) (resid {S} 127 and name HA) 1.8 0.0 1.0
assign (resid {S} 128 and name HN) (resid {R} 112 and name HA) 1.8 0.0 1.5
assign (resid {S} 128 and name HN) (resid {L} 130 and name HA) 1.8 0.0 3.3
assign (resid {S} 128 and name HA) (resid {V} 89 and name HG2#) 1.8 0.0 3.0
assign (resid {S} 128 and name HA) (resid {P} 129 and name HG#) 1.8 0.0 4.2
assign ((resid {S} 128 and name HB1) or
(resid {S} 128 and name HB2)) ((resid {R} 112 and name HB#)) 1.8 0.0 4.2 !
assign ((resid {S} 128 and name HB1) or
(resid {S} 128 and name HB2)) ((resid {P} 129 and name HG#)) 1.8 0.0 3.2 !
!T161
assign (resid {T} 161 and name HN) (resid {G} 54 and name HA#) 1.8 0.0 3.2
assign (resid {T} 161 and name HN) (resid {S} 160 and name HA) 1.8 0.0 1.5
assign (resid {T} 161 and name HN) (resid {T} 161 and name HA) 1.8 0.0 1.5
assign (resid {T} 161 and name HN) (resid {T} 161 and name HB) 1.8 0.0 1.0
assign (resid {T} 161 and name HN) (resid {S} 160 and name HB1) 1.8 0.0 2.2
assign (resid {T} 161 and name HN) (resid {S} 160 and name HB2) 1.8 0.0 2.2
assign (resid {T} 161 and name HN) (resid {T} 161 and name HG2#) 1.8 0.0 3.7
assign ((resid {T} 161 and name HN)) ((resid {K} 157 and name HB2) or
(resid {K} 157 and name HB1)) 1.8 0.0 3.7 !
assign (resid {T} 161 and name HN) (resid {A} 158 and name HB#) 1.8 0.0 4.7
assign ((resid {T} 161 and name HA)) ((resid {S} 160 and name HB1)) 1.8 0.0 2.7 !
!R148
assign ((resid {R} 148 and name HN)) ((resid {M} 146 and name HA)) 1.8 0.0 3.2 !
assign ((resid {R} 148 and name HN)) ((resid {L} 149 and name HD2#)) 1.8 0.0 4.7 !
!T23
assign ((resid {T} 23 and name HN)) ((resid {F} 19 and name HA)) 1.8 0.0 3.2 !
assign ((resid {T} 23 and name HN)) ((resid {T} 23 and name HB)) 1.8 0.0 2.2 !
assign (resid {T} 23 and name HA) (resid {R} 22 and name HA) 1.8 0.0 3.2
assign ((resid {T} 23 and name HA)) ((resid {Y} 24 and name HB1)) 1.8 0.0 3.2 !
!E181 (helix ? 184 and 185 contacts are tentative)
assign ((resid {E} 181 and name HN)) ((resid {E} 181 and name HA)) 1.8 0.0 1.5 !
assign ((resid {E} 181 and name HN)) ((resid {E} 181 and name HG2) or
(resid {E} 181 and name HG1)) 1.8 0.0 3.2 !
assign ((resid {E} 181 and name HN)) ((resid {E} 181 and name HB2) or
(resid {E} 181 and name HB1)) 1.8 0.0 3.2 !
assign (resid {E} 181 and name HN) (resid {V} 180 and name HB) 1.8 0.0 1.5
assign (resid {E} 181 and name HN) (resid {L} 179 and name HD2#) 1.8 0.0 5.2
assign ((resid {E} 181 and name HA)) ((resid {E} 181 and name HG2)) 1.8 0.0 1.0 !
assign ((resid {E} 181 and name HA)) ((resid {E} 181 and name HG1)) 1.8 0.0 1.5 !
assign ((resid {E} 181 and name HA)) ((resid {E} 181 and name HB#)) 1.8 0.0 2.0 !
assign ((resid {E} 181 and name HA)) ((resid {L} 184 and name HB2) or
(resid {L} 184 and name HB1)) 1.8 0.0 3.2 !
!G76
assign (resid {G} 76 and name HN) (resid {Q} 53 and name HE2#) 1.8 0.0 3.2
assign (resid {G} 76 and name HN) (resid {D} 75 and name HA) 1.8 0.0 2.2
assign (resid {G} 76 and name HN) (resid {T} 52 and name HB) 1.8 0.0 2.2
assign ((resid {G} 76 and name HN)) ((resid {G} 76 and name HA2) or
(resid {G} 76 and name HA1)) 1.8 0.0 1.0 !
assign ((resid {G} 76 and name HN)) ((resid {V} 74 and name HG1#)) 1.8 0.0 5.7 {vw}!
assign ((resid {G} 76 and name HN)) ((resid {V} 74 and name HG2#)) 1.8 0.0 5.7 {vw}!
assign (resid {G} 76 and name HN) (resid {I} 73 and name HG2#) 1.8 0.0 3.7
assign ((resid {G} 76 and name HA1) or
(resid {G} 76 and name HA2)) ((resid {I} 97 and name HG2#)) 1.8 0.0 4.7 !
assign ((resid {G} 76 and name HA1)) ((resid {I} 73 and name HG2#)) 1.8 0.0 4.7 !
assign ((resid {G} 76 and name HA2)) ((resid {I} 73 and name HG2#)) 1.8 0.0 4.7 !
assign ((resid {G} 76 and name HA1)) ((resid {T} 52 and name HG2#)) 1.8 0.0 3.7 !
assign ((resid {G} 76 and name HA2)) ((resid {T} 52 and name HG2#)) 1.8 0.0 3.7 !
!F77
assign (resid {F} 77 and name HN) (resid {F} 77 and name HD*) 1.8 0.0 3.0
assign (resid {F} 77 and name HN) (resid {F} 77 and name HE*) 1.8 0.0 5.2
assign (resid {F} 77 and name HN) (resid {F} 77 and name HA) 1.8 0.0 1.5
assign (resid {F} 77 and name HN) (resid {V} 74 and name HA) 1.8 0.0 3.2
assign ((resid {F} 77 and name HN)) ((resid {G} 76 and name HA2)) 1.8 0.0 2.2 !
assign ((resid {F} 77 and name HN)) ((resid {G} 76 and name HA1)) 1.8 0.0 2.2 !
assign ((resid {F} 77 and name HN)) ((resid {F} 77 and name HB1)) 1.8 0.0 2.2 !
assign ((resid {F} 77 and name HN)) ((resid {V} 74 and name HB)) 1.8 0.0 4.2 {vw}!
assign ((resid {F} 77 and name HN)) ((resid {V} 74 and name HG2#)) 1.8 0.0 3.7 !
assign (resid {F} 77 and name HN) (resid {I} 73 and name HG2#) 1.8 0.0 3.0
assign ((resid {F} 77 and name HB1)) ((resid {F} 77 and name HD*)) 1.8 0.0 3.5 !
assign ((resid {F} 77 and name HB2)) ((resid {F} 77 and name HD*)) 1.8 0.0 4.2 !
!I69
assign (resid {I} 69 and name HN) (resid {Y} 68 and name HN) 1.8 0.0 2.2
assign (resid {I} 69 and name HN) (resid {W} 58 and name HA) 1.8 0.0 3.2
assign (resid {I} 69 and name HN) (resid {I} 69 and name HB) 1.8 0.0 2.2
assign ((resid {I} 69 and name HN)) ((resid {I} 69 and name HG11) or
(resid {I} 69 and name HG12)) 1.8 0.0 2.2 !
assign (resid {I} 69 and name HN) (resid {I} 69 and name HG2#) 1.8 0.0 2.5
assign (resid {I} 69 and name HN) (resid {I} 69 and name HD1#) 1.8 0.0 4.7
assign ((resid {I} 69 and name HN)) ((resid {L} 135 and name HD1#) or
(resid {L} 135 and name HG2#)) 1.8 0.0 4.7 !
assign ((resid {I} 69 and name HA)) ((resid {Y} 68 and name HB2) or
(resid {Y} 68 and name HB1)) 1.8 0.0 3.2 !
!F19 (chi = -60)
assign (resid {F} 19 and name HN) (resid {A} 18 and name HA) 1.8 0.0 1.0
assign (resid {F} 19 and name HN) (resid {F} 19 and name HA) 1.8 0.0 1.5
assign (resid {F} 19 and name HN) (resid {F} 19 and name HB1) 1.8 0.0 2.2
assign (resid {F} 19 and name HN) (resid {F} 19 and name HB2) 1.8 0.0 1.5
assign (resid {F} 19 and name HN) (resid {A} 18 and name HB#) 1.8 0.0 2.5
assign (resid {F} 19 and name HN) (resid {F} 19 and name HD*) 1.8 0.0 3.5
assign (resid {F} 19 and name HN) (resid {F} 163 and name HE*) 1.8 0.0 5.2
!C166
assign (resid {C} 166 and name HN) (resid {I} 167 and name HN) 1.8 0.0 3.2
assign (resid {C} 166 and name HN) (resid {C} 166 and name HA) 1.8 0.0 3.2
assign (resid {C} 166 and name HN) (resid {G} 165 and name HA1) 1.8 0.0 1.0
assign (resid {C} 166 and name HN) (resid {G} 165 and name HA2) 1.8 0.0 1.0
assign ((resid {C} 166 and name HN)) ((resid {C} 166 and name HB2)) 1.8 0.0 1.5 !
assign ((resid {C} 166 and name HN)) ((resid {K} 48 and name HB1)) 1.8 0.0 4.7 !
assign ((resid {C} 166 and name HA)) ((resid {I} 167 and name HG11)) 1.8 0.0 2.2 !
assign ((resid {C} 166 and name HA)) ((resid {I} 167 and name HG12)) 1.8 0.0 3.2 !
assign ((resid {C} 166 and name HA)) ((resid {A} 18 and name HB#)) 1.8 0.0 3.7 !
assign ((resid {C} 166 and name HA)) ((resid {K} 48 and name HD#)) 1.8 0.0 4.2 !
assign ((resid {C} 166 and name HB1)) ((resid {I} 167 and name HG11)) 1.8 0.0 3.2 !
assign ((resid {C} 166 and name HB2)) ((resid {I} 167 and name HG11)) 1.8 0.0 3.2 !
assign (resid {C} 166 and name HN) (resid {F} 163 and name HE*) 1.8 0.0 4.7
assign (resid {C} 166 and name HN) (resid {F} 163 and name HZ) 1.8 0.0 2.2
assign (resid {C} 166 and name HA) (resid {F} 19 and name HD*) 1.8 0.0 5.2
assign (resid {C} 166 and name HA) (resid {F} 163 and name HZ) 1.8 0.0 3.2
!Q53
assign (resid {Q} 53 and name HN) (resid {Q} 53 and name HA) 1.8 0.0 2.2
assign (resid {Q} 53 and name HN) (resid {T} 52 and name HA) 1.8 0.0 2.2
assign (resid {Q} 53 and name HN) (resid {T} 52 and name HB) 1.8 0.0 2.2
assign (resid {Q} 53 and name HN) (resid {Q} 53 and name HB1) 1.8 0.0 2.2
assign (resid {Q} 53 and name HN) (resid {Q} 53 and name HB2) 1.8 0.0 3.2
assign (resid {Q} 53 and name HN) (resid {Q} 53 and name HG1) 1.8 0.0 3.2
assign (resid {Q} 53 and name HN) (resid {Q} 53 and name HG2) 1.8 0.0 3.2
assign (resid {Q} 53 and name HN) (resid {T} 52 and name HG2#) 1.8 0.0 4.7
assign (resid {Q} 53 and name HN) (resid {A} 51 and name HB#) 1.8 0.0 3.0
assign (resid {Q} 53 and name HA) (resid {I} 73 and name HB) 1.8 0.0 3.2
assign (resid {Q} 53 and name HA) (resid {I} 73 and name HG2#) 1.8 0.0 4.7
assign ((resid {Q} 53 and name HA)) ((resid {I} 73 and name HD1#)) 1.8 0.0 4.7 !
!L84
assign ((resid {L} 84 and name HN)) ((resid {Y} 82 and name HE*)) 1.8 0.0 4.2 !
assign (resid {L} 84 and name HN) (resid {D} 83 and name HA) 1.8 0.0 1.0
assign (resid {L} 84 and name HN) (resid {L} 84 and name HA) 1.8 0.0 1.5
assign ((resid {L} 84 and name HN)) ((resid {D} 83 and name HB1) or
(resid {D} 83 and name HB2)) 1.8 0.0 2.2 !
assign ((resid {L} 84 and name HB1) or
(resid {L} 84 and name HB2)) ((resid {L} 135 and name HB1) or
(resid {L} 135 and name HB2)) 1.8 0.0 3.2 !
assign (resid {L} 84 and name HG) (resid {L} 84 and name HA) 1.8 0.0 2.2 !
assign ((resid {L} 84 and name HG)) ((resid {R} 112 and name HA)) 1.8 0.0 3.2 !
assign ((resid {L} 84 and name HG)) ((resid {S} 128 and name HB2) or
(resid {S} 128 and name HB1)) 1.8 0.0 3.2 !
assign ((resid {L} 84 and name HD1#)) ((resid {S} 128 and name HB2) or
(resid {S} 128 and name HB1)) 1.8 0.0 4.2 !
assign ((resid {L} 84 and name HD2#)) ((resid {S} 128 and name HB2) or
(resid {S} 128 and name HB1)) 1.8 0.0 4.2 !
assign ((resid {L} 84 and name HD1#)) ((resid {L} 84 and name HN)) 1.8 0.0 3.7 !
assign ((resid {L} 84 and name HD2#)) ((resid {L} 84 and name HN)) 1.8 0.0 3.7 !
assign ((resid {L} 84 and name HD1#)) ((resid {L} 84 and name HA)) 1.8 0.0 4.7 !
assign ((resid {L} 84 and name HD2#)) ((resid {L} 84 and name HA)) 1.8 0.0 2.5 !
assign ((resid {L} 84 and name HD1#)) ((resid {L} 84 and name HB2) or
(resid {L} 84 and name HB1)) 1.8 0.0 2.5 !
assign ((resid {L} 84 and name HD1#)) ((resid {L} 135 and name HB2) or
(resid {L} 135 and name HB1)) 1.8 0.0 3.0 !
assign ((resid {L} 84 and name HD2#)) ((resid {L} 135 and name HB2) or
(resid {L} 135 and name HB1)) 1.8 0.0 3.7 !
assign ((resid {L} 84 and name HD1#)) ((resid {G} 85 and name HA1)) 1.8 0.0 4.7 !
!T188
assign (resid {T} 188 and name HN) (resid {P} 187 and name HA) 1.8 0.0 1.5
assign (resid {T} 188 and name HN) (resid {T} 188 and name HA) 1.8 0.0 1.5
assign (resid {T} 188 and name HN) (resid {T} 188 and name HB) 1.8 0.0 1.0
assign (resid {T} 188 and name HN) (resid {T} 188 and name HG2#) 1.8 0.0 3.7
assign ((resid {T} 188 and name HN)) ((resid {P} 187 and name HB1) or
(resid {P} 187 and name HB2)) 1.8 0.0 1.5 !
!D169
assign (resid {D} 169 and name HN) (resid {D} 169 and name HA) 1.8 0.0 1.0
assign (resid {D} 169 and name HN) (resid {R} 168 and name HA) 1.8 0.0 1.5
assign ((resid {D} 169 and name HN)) ((resid {R} 168 and name HB2) or
(resid {R} 168 and name HB1)) 1.8 0.0 2.2 !
assign ((resid {D} 169 and name HB2)) ((resid {R} 168 and name HG2) or
(resid {R} 168 and name HG1)) 1.8 0.0 2.2 !
assign ((resid {D} 169 and name HN)) ((resid {L} 179 and name HD2#)) 1.8 0.0 3.7 !
assign ((resid {D} 169 and name HB1)) ((resid {V} 170 and name HG2#) or
(resid {V} 170 and name HG1#)) 1.8 0.0 3.7 !
assign ((resid {D} 169 and name HB2)) ((resid {V} 170 and name HG2#) or
(resid {V} 170 and name HG1#)) 1.8 0.0 3.7 !
assign ((resid {D} 169 and name HB2)) ((resid {I} 171 and name HD1#)) 1.8 0.0 4.7 !
!S93
assign (resid {S} 93 and name HN) (resid {S} 93 and name HA) 1.8 0.0 2.2
assign (resid {S} 93 and name HN) (resid {R} 92 and name HA) 1.8 0.0 1.0
assign (resid {S} 93 and name HN) (resid {S} 93 and name HB1) 1.8 0.0 1.5 !
assign (resid {S} 93 and name HN) (resid {S} 93 and name HB2) 1.8 0.0 1.5 !
assign (resid {S} 93 and name HN) (resid {R} 92 and name HB1) 1.8 0.0 2.2
assign (resid {S} 93 and name HN) (resid {R} 92 and name HB2) 1.8 0.0 2.2
assign (resid {S} 93 and name HN) (resid {R} 92 and name HG1) 1.8 0.0 3.2
assign (resid {S} 93 and name HN) (resid {R} 92 and name HG2) 1.8 0.0 3.2
assign ((resid {S} 93 and name HN)) ((resid {V} 78 and name HG2#)) 1.8 0.0 3.7 !
assign ((resid {S} 93 and name HN)) ((resid {V} 78 and name HG1#)) 1.8 0.0 4.7 !
assign ((resid {S} 93 and name HB1)) ((resid {V} 78 and name HB)) 1.8 0.0 2.2 !
assign ((resid {S} 93 and name HB2)) ((resid {V} 78 and name HB)) 1.8 0.0 2.2 !
assign ((resid {S} 93 and name HB1)) ((resid {R} 92 and name HB2)) 1.8 0.0 3.2 !
!assign ((resid {S} 93 and name HB2)) ((resid {R} 92 and name HB2)) 1.8 0.0 4.2 {vw} !
assign ((resid {S} 93 and name HB1)) ((resid {R} 92 and name HB1)) 1.8 0.0 3.2 !
assign ((resid {S} 93 and name HB2)) ((resid {R} 92 and name HB1)) 1.8 0.0 3.2 !
!R65
assign (resid {R} 65 and name HN) (resid {R} 65 and name HA) 1.8 0.0 2.2
assign (resid {R} 65 and name HN) (resid {E} 64 and name HA) 1.8 0.0 1.5
assign (resid {R} 65 and name HN) (resid {S} 66 and name HB1) 1.8 0.0 1.0
assign (resid {R} 65 and name HN) (resid {R} 65 and name HB1) 1.8 0.0 2.2
assign (resid {R} 65 and name HN) (resid {R} 65 and name HB2) 1.8 0.0 2.2
assign (resid {R} 65 and name HN) (resid {R} 65 and name HG1) 1.8 0.0 2.2
assign (resid {R} 65 and name HN) (resid {R} 65 and name HG2) 1.8 0.0 2.2
!I47
assign (resid {I} 47 and name HN) (resid {S} 46 and name HA) 1.8 0.0 1.0
assign (resid {I} 47 and name HN) (resid {I} 47 and name HA) 1.8 0.0 2.2
assign ((resid {I} 47 and name HN)) ((resid {S} 46 and name HB1)) 1.8 0.0 2.2 !
assign (resid {I} 47 and name HN) (resid {I} 47 and name HB) 1.8 0.0 2.2
assign ((resid {I} 47 and name HN)) ((resid {I} 47 and name HG11) or
(resid {I} 47 and name HG12)) 1.8 0.0 1.5 !
assign (resid {I} 47 and name HN) (resid {T} 103 and name HG2#) 1.8 0.0 4.7
assign (resid {I} 47 and name HN) (resid {I} 47 and name HG2#) 1.8 0.0 3.7
assign (resid {I} 47 and name HN) (resid {I} 47 and name HD1#) 1.8 0.0 4.7
assign (resid {I} 47 and name HA) (resid {W} 102 and name HH2) 1.8 0.0 2.2
assign ((resid {I} 47 and name HA)) ((resid {I} 47 and name HG12) or
(resid {I} 47 and name HG11)) 1.8 0.0 2.2 !
assign ((resid {I} 47 and name HA)) ((resid {I} 167 and name HG11) or
(resid {I} 167 and name HG12)) 1.8 0.0 2.2 !
assign (resid {I} 47 and name HD1#) (resid {I} 167 and name HD1#) 1.8 0.0 5.2
assign (resid {I} 47 and name HD1#) (resid {I} 97 and name HA) 1.8 0.0 4.7
assign (resid {I} 47 and name HD1#) (resid {K} 48 and name HA) 1.8 0.0 4.7
assign (resid {I} 47 and name HD1#) (resid {S} 46 and name HB1) 1.8 0.0 5.7 {vw, disc}
assign ((resid {I} 47 and name HD1#)) ((resid {I} 167 and name HG11) or
(resid {I} 167 and name HG12)) 1.8 0.0 3.7 !
assign (resid {I} 47 and name HG2#) (resid {S} 46 and name HB1) 1.8 0.0 5.7 {vw, disc}
assign (resid {I} 47 and name HG2#) (resid {I} 167 and name HA) 1.8 0.0 5.7
assign (resid {I} 47 and name HD1#) (resid {F} 163 and name HE*) 1.8 0.0 5.0
assign (resid {I} 47 and name HG2#) (resid {F} 163 and name HE*) 1.8 0.0 6.7
!H42 (too fuzzy)
assign (resid {H} 42 and name HN) (resid {N} 41 and name HA) 1.8 0.0 1.0
assign ((resid {H} 42 and name HN)) ((resid {V} 172 and name HG2#) or
(resid {V} 172 and name HG1#)) 1.8 0.0 3.7 !
!K154
assign (resid {K} 154 and name HN) (resid {H} 153 and name HA) 1.8 0.0 2.2
assign (resid {K} 154 and name HN) (resid {K} 154 and name HA) 1.8 0.0 1.5
assign ((resid {K} 154 and name HN)) ((resid {H} 153 and name HB1) or
(resid {H} 153 and name HB2)) 1.8 0.0 1.5 !
assign ((resid {K} 154 and name HN)) ((resid {K} 154 and name HB1)) 1.8 0.0 1.0 !
assign ((resid {K} 154 and name HN)) ((resid {K} 154 and name HB2)) 1.8 0.0 2.2 !
assign (resid {K} 154 and name HN) (resid {K} 154 and name HG#) 1.8 0.0 2.2
assign ((resid {K} 154 and name HN)) ((resid {L} 155 and name HD1#) or
(resid {L} 153 and name HD2#)) 1.8 0.0 3.7 !
assign (resid {K} 154 and name HA) (resid {Y} 154 and name HG#) 1.8 0.0 2.0
assign (resid {K} 154 and name HA) (resid {Y} 154 and name HE#) 1.8 0.0 4.2
!Y68 (done)
!Q79
assign (resid {Q} 79 and name HN) (resid {V} 78 and name HA) 1.8 0.0 1.0
assign ((resid {Q} 79 and name HN)) ((resid {L} 71 and name HD2#)) 1.8 0.0 3.7 !
!L45
assign (resid {L} 45 and name HN) (resid {E} 44 and name HA) 1.8 0.0 1.0
assign ((resid {L} 45 and name HN)) ((resid {E} 44 and name HG2) or
(resid {E} 44 and name HG1)) 1.8 0.0 3.2 !
assign ((resid {L} 45 and name HN)) ((resid {E} 44 and name HB2)) 1.8 0.0 2.2 !
assign ((resid {L} 45 and name HN)) ((resid {E} 44 and name HB1)) 1.8 0.0 3.2 !
assign (resid {L} 45 and name HN) (resid {L} 45 and name HB1) 1.8 0.0 3.2
assign (resid {L} 45 and name HN) (resid {L} 45 and name HB2) 1.8 0.0 3.2
assign (resid {L} 45 and name HN) (resid {L} 45 and name HG) 1.8 0.0 2.2
assign (resid {L} 45 and name HN) (resid {I} 105 and name HB) 1.8 0.0 2.2
assign (resid {L} 45 and name HN) (resid {I} 105 and name HG2#) 1.8 0.0 4.7
assign ((resid {L} 45 and name HN)) ((resid {L} 45 and name HD2#)) 1.8 0.0 3.0 !
assign (resid {L} 45 and name HA) (resid {L} 45 and name HD1#) 1.8 0.0 4.7
assign (resid {L} 45 and name HA) (resid {L} 45 and name HD2#) 1.8 0.0 3.7
assign (resid {L} 45 and name HA) (resid {L} 45 and name HB1) 1.8 0.0 2.2
assign (resid {L} 45 and name HA) (resid {L} 45 and name HB2) 1.8 0.0 2.2
assign ((resid {L} 45 and name HB1)) ((resid {V} 170 and name HG1#) or
(resid {V} 170 and name HG2#)) 1.8 0.0 3.0 !
assign ((resid {L} 45 and name HB2)) ((resid {V} 170 and name HG1#) or
(resid {V} 170 and name HG2#)) 1.8 0.0 3.0 !
assign ((resid {L} 45 and name HD1#)) ((resid {I} 56 and name HG2#)) 1.8 0.0 5.2 !
assign ((resid {L} 45 and name HD1#)) ((resid {I} 47 and name HG2#)) 1.8 0.0 4.5 !
assign ((resid {L} 45 and name HD1#)) ((resid {I} 56 and name HA)) 1.8 0.0 5.7 {vw 3.24}!
assign ((resid {L} 45 and name HD1#)) ((resid {E} 44 and name HA)) 1.8 0.0 5.7 {vw 5.42}!
assign ((resid {L} 45 and name HD1#)) ((resid {V} 170 and name HA)) 1.8 0.0 4.7 !
!assign ((resid {L} 45 and name HD2#)) ((resid {F} 43 and name HD*)) 1.8 0.0 5.0 !
assign ((resid {L} 45 and name HD2#)) ((resid {I} 170 and name HA)) 1.8 0.0 3.7 !
assign ((resid {L} 45 and name HD2#)) ((resid {E} 44 and name HA)) 1.8 0.0 3.0 !
assign ((resid {L} 45 and name HD2#)) ((resid {F} 43 and name HA)) 1.8 0.0 4.7 !
assign ((resid {L} 45 and name HD2#)) ((resid {F} 43 and name HB#)) 1.8 0.0 4.0 !
assign ((resid {L} 45 and name HD2#)) ((resid {E} 44 and name HG2)) 1.8 0.0 4.7 !
assign ((resid {L} 45 and name HD2#)) ((resid {E} 44 and name HG2)) 1.8 0.0 4.7 !
assign ((resid {L} 45 and name HD2#)) ((resid {L} 57 and name HD*)) 1.8 0.0 5.4 !
!N186
assign (resid {N} 186 and name HN) (resid {N} 186 and name HA) 1.8 0.0 1.0
assign (resid {N} 186 and name HN) (resid {N} 185 and name HA) 1.8 0.0 1.5
assign ((resid {N} 186 and name HN)) ((resid {N} 185 and name HB1)) 1.8 0.0 3.2 !
assign (resid {N} 186 and name HN) (resid {N} 186 and name HB1) 1.8 0.0 2.2
assign (resid {N} 186 and name HN) (resid {N} 186 and name HB2) 1.8 0.0 2.2
assign (resid {N} 186 and name HN) (resid {A} 183 and name HB#) 1.8 0.0 5.2
assign ((resid {N} 186 and name HA)) ((resid {P} 187 and name HD1) or
(resid {P} 187 and name HD2)) 1.8 0.0 1.0
!G162
assign (resid {G} 162 and name HN) (resid {T} 161 and name HA) 1.8 0.0 1.2
assign (resid {G} 162 and name HN) (resid {T} 161 and name HG2#) 1.8 0.0 3.0
!S40
assign (resid {S} 40 and name HN) (resid {Q} 39 and name HA) 1.8 0.0 1.5
assign ((resid {S} 40 and name HN)) ((resid {S} 40 and name HB1) or
(resid {S} 40 and name HB2)) 1.8 0.0 2.2 !
assign ((resid {S} 40 and name HN)) ((resid {L} 38 and name HD1#)) 1.8 0.0 4.7 !
assign ((resid {S} 40 and name HN)) ((resid {L} 38 and name HD2#)) 1.8 0.0 4.7 !
assign ((resid {S} 40 and name HB1)) ((resid {H} 42 and name HE1)) 1.8 0.0 3.2 !
assign ((resid {S} 40 and name HB2)) ((resid {H} 42 and name HE1)) 1.8 0.0 3.2 !
assign ((resid {S} 40 and name HB1)) ((resid {V} 110 and name HG1#)) 1.8 0.0 3.0 !
assign ((resid {S} 40 and name HB2)) ((resid {V} 110 and name HG1#)) 1.8 0.0 3.0 !
assign ((resid {S} 40 and name HB1)) ((resid {Q} 39 and name HB#)) 1.8 0.0 4.2 !
assign ((resid {S} 40 and name HB2)) ((resid {Q} 39 and name HB#)) 1.8 0.0 4.2 !
assign ((resid {S} 40 and name HB1)) ((resid {Q} 39 and name HG#)) 1.8 0.0 4.2 !
assign ((resid {S} 40 and name HB2)) ((resid {Q} 39 and name HG#)) 1.8 0.0 4.2 !
!R109
assign (resid {R} 109 and name HN) (resid {Y} 108 and name HD*) 1.8 0.0 5.2
assign (resid {R} 109 and name HN) (resid {Y} 108 and name HA) 1.8 0.0 1.0
assign ((resid {R} 109 and name HN)) ((resid {Y} 108 and name HB2) or
(resid {Y} 108 and name HB1)) 1.8 0.0 2.2 !
assign (resid {R} 109 and name HN) (resid {A} 107 and name HB#) 1.8 0.0 3.7
assign ((resid {R} 109 and name HN)) ((resid {V} 110 and name HG2#)) 1.8 0.0 3.7 !
assign (resid {R} 109 and name HA) (resid {R} 109 and name HB1) 1.8 0.0 1.5
assign (resid {R} 109 and name HA) (resid {R} 109 and name HB2) 1.8 0.0 1.0
assign (resid {R} 109 and name HA) (resid {R} 109 and name HD#) 1.8 0.0 3.2
assign (resid {R} 109 and name HD1) (resid {Q} 111 and name HA) 1.8 0.0 3.2
assign (resid {R} 109 and name HD2) (resid {Q} 111 and name HA) 1.8 0.0 3.2
!S86
assign (resid {S} 86 and name HN) (resid {D} 83 and name HA) 1.8 0.0 2.2
assign ((resid {S} 86 and name HN)) ((resid {D} 83 and name HB1) or
(resid {D} 83 and name HB2)) 1.8 0.0 3.7 !
!S59 (full of problems)
assign ((resid {S} 59 and name HB1)) ((resid {L} 57 and name HD2#)) 1.8 0.0 3.2 !
assign ((resid {S} 59 and name HB2)) ((resid {L} 57 and name HD2#)) 1.8 0.0 3.2 !
assign ((resid {S} 59 and name HB2) or
(resid {S} 59 and name HB1)) ((resid {I} 69 and name HG2#)) 1.8 0.0 3.4 !
assign ((resid {S} 59 and name HA)) ((resid {W} 142 and name HB2)) 1.8 0.0 3.2 !
assign ((resid {S} 59 and name HA)) ((resid {G} 60 and name HA1) or
(resid {G} 60 and name HA2)) 1.8 0.0 3.2 !
assign ((resid {S} 59 and name HA)) ((resid {W} 58 and name HD1)) 1.8 0.0 4.2 !
!assign ((resid {S} 59 and name HA)) ((resid {W} 142 and name HE3)) 1.8 0.0 3.2 !
!assign ((resid {S} 59 and name HA)) ((resid {W} 58 and name HE3)) 1.8 0.0 3.2 !
!assign ((resid {S} 59 and name HA)) ((resid {W} 58 and name HH2)) 1.8 0.0 3.2 !
!S46 (some b NOE's could be S128 b)
assign (resid {S} 46 and name HN) (resid {S} 46 and name HA) 1.8 0.0 2.2
assign (resid {S} 46 and name HN) (resid {L} 45 and name HA) 1.8 0.0 1.0
assign (resid {S} 46 and name HN) (resid {S} 46 and name HB1) 1.8 0.0 2.2
assign (resid {S} 46 and name HN) (resid {S} 46 and name HB2) 1.8 0.0 1.5
assign ((resid {S} 46 and name HN)) ((resid {D} 169 and name HB2)) 1.8 0.0 3.2 !
assign (resid {S} 46 and name HN) (resid {L} 45 and name HB1) 1.8 0.0 2.2
assign (resid {S} 46 and name HN) (resid {L} 45 and name HB2) 1.8 0.0 1.5
assign (resid {S} 46 and name HN) (resid {L} 45 and name HG) 1.8 0.0 2.2
assign ((resid {S} 46 and name HN)) ((resid {V} 170 and name HG1#) or
(resid {V} 170 and name HG2#)) 1.8 0.0 3.7 !
assign (resid {S} 46 and name HN) (resid {I} 47 and name HG2#) 1.8 0.0 4.7
assign ((resid {S} 46 and name HN)) ((resid {L} 45 and name HD1#)) 1.8 0.0 3.7 !
assign (resid {S} 46 and name HA) (resid {I} 105 and name HB) 1.8 0.0 3.2
assign (resid {S} 46 and name HA) (resid {I} 105 and name HG2#) 1.8 0.0 4.7
assign (resid {S} 46 and name HA) (resid {I} 47 and name HG2#) 1.8 0.0 4.7
assign (resid {S} 46 and name HA) (resid {L} 45 and name HD1#) 1.8 0.0 5.2
assign (resid {S} 46 and name HB1) (resid {W} 102 and name HE3) 1.8 0.0 1.5
assign (resid {S} 46 and name HB2) (resid {W} 102 and name HE3) 1.8 0.0 2.2
assign (resid {S} 46 and name HB1) (resid {W} 102 and name HZ3) 1.8 0.0 2.2
assign (resid {S} 46 and name HB2) (resid {W} 102 and name HZ3) 1.8 0.0 2.2
assign (resid {S} 46 and name HB1) (resid {H} 104 and name HA) 1.8 0.0 3.2
assign ((resid {S} 46 and name HB1)) ((resid {H} 102 and name HB1) or
(resid {H} 102 and name HB2)) 1.8 0.0 3.2 !
assign ((resid {S} 46 and name HB2)) ((resid {H} 102 and name HB1) or
(resid {H} 102 and name HB2)) 1.8 0.0 3.2 !
assign ((resid {S} 46 and name HB1)) ((resid {H} 169 and name HB2)) 1.8 0.0 3.2 !
assign ((resid {S} 46 and name HB2)) ((resid {H} 169 and name HB2)) 1.8 0.0 3.2 !
!G85
assign ((resid {G} 85 and name HA1)) ((resid {A} 132 and name HB#)) 1.8 0.0 3.7 !
assign ((resid {G} 85 and name HA2)) ((resid {A} 132 and name HB#)) 1.8 0.0 3.7 !
! T125
assign (resid {T} 125 and name HN) (resid {T} 125 and name HA) 1.8 0.0 2.2
assign (resid {T} 125 and name HN) (resid {T} 125 and name HB) 1.8 0.0 2.2
assign (resid {T} 125 and name HN) (resid {I} 124 and name HA) 1.8 0.0 1.0
assign (resid {T} 125 and name HN) (resid {I} 124 and name HB) 1.8 0.0 3.2
assign ((resid {T} 125 and name HN)) ((resid {I} 124 and name HG11) or
(resid {I} 124 and name HG12)) 1.8 0.0 3.2 !
assign (resid {T} 125 and name HN) (resid {T} 125 and name HG2#) 1.8 0.0 2.5
assign (resid {T} 125 and name HN) (resid {I} 124 and name HG2#) 1.8 0.0 2.5
assign ((resid {T} 125 and name HN)) ((resid {L} 91 and name HD2#) or
(resid {L} 91 and name HD1#)) 1.8 0.0 3.7 !
assign (resid {T} 125 and name HA) (resid {T} 125 and name HB) 1.8 0.0 1.0
assign ((resid {T} 125 and name HA)) ((resid {G} 126 and name HA1) or
(resid {G} 126 and name HA2)) 1.8 0.0 3.2
assign (resid {T} 125 and name HA) (resid {M} 80 and name HE#) 1.8 0.0 4.7
assign (resid {T} 125 and name HA) (resid {T} 125 and name HG2#) 1.8 0.0 2.5
assign ((resid {T} 125 and name HA)) ((resid {L} 91 and name HD2#) or
(resid {L} 91 and name HD1#)) 1.8 0.0 3.7 !
assign ((resid {T} 125 and name HB)) ((resid {S} 115 and name HB2)) 1.8 0.0 3.2 !
assign (resid {T} 125 and name HB) (resid {G} 114 and name HN) 1.8 0.0 3.2
assign ((resid {T} 125 and name HB)) ((resid {L} 91 and name HD2#) or
(resid {L} 91 and name HD1#)) 1.8 0.0 4.7 !
assign (resid {T} 125 and name HG2#) (resid {L} 116 and name HN) 1.8 0.0 3.7
assign (resid {T} 125 and name HG2#) (resid {I} 124 and name HN) 1.8 0.0 4.7
assign (resid {T} 125 and name HG2#) (resid {S} 115 and name HN) 1.8 0.0 4.7
!S115
assign (resid {S} 115 and name HN) (resid {G} 114 and name HA1) 1.8 0.0 1.5
assign (resid {S} 115 and name HN) (resid {G} 114 and name HA2) 1.8 0.0 1.0
assign (resid {S} 115 and name HN) (resid {S} 115 and name HB2) 1.8 0.0 2.2
assign (resid {S} 115 and name HN) (resid {S} 115 and name HB1) 1.8 0.0 3.2
assign ((resid {S} 115 and name HN)) ((resid {M} 80 and name HE#)) 1.8 0.0 3.7 !
assign ((resid {G} 115 and name HN)) ((resid {L} 91 and name HD2#) or
(resid {L} 91 and name HD1#)) 1.8 0.0 3.7 !
assign ((resid {G} 115 and name HA)) ((resid {L} 91 and name HD2#) or
(resid {L} 91 and name HD1#)) 1.8 0.0 3.7 !
assign ((resid {S} 115 and name HA)) ((resid {T} 125 and name HG2#)) 1.8 0.0 3.0 !
assign ((resid {S} 115 and name HA)) ((resid {M} 80 and name HE#)) 1.8 0.0 4.7 !
assign (resid {S} 115 and name HB1) (resid {L} 116 and name HN) 1.8 0.0 2.2
assign (resid {S} 115 and name HB1) (resid {Y} 108 and name HD*) 1.8 0.0 5.2
assign (resid {S} 115 and name HB2) (resid {Y} 108 and name HD*) 1.8 0.0 5.2
assign (resid {S} 115 and name HB1) (resid {Y} 108 and name HE*) 1.8 0.0 5.2
assign (resid {S} 115 and name HB2) (resid {Y} 108 and name HE*) 1.8 0.0 5.2
assign (resid {S} 115 and name HB1) (resid {T} 125 and name HB) 1.8 0.0 3.2
assign (resid {S} 115 and name HB2) (resid {T} 125 and name HB) 1.8 0.0 3.2
assign (resid {S} 115 and name HB1) (resid {T} 125 and name HG2#) 1.8 0.0 3.7
assign (resid {S} 115 and name HB2) (resid {T} 125 and name HG2#) 1.8 0.0 3.7
assign ((resid {G} 115 and name HB1)) ((resid {L} 91 and name HD2#) or
(resid {L} 91 and name HD1#)) 1.8 0.0 4.7 !
assign ((resid {G} 115 and name HB1)) ((resid {L} 91 and name HD2#) or
(resid {L} 91 and name HD1#)) 1.8 0.0 4.7 !
!G114
assign ((resid {G} 114 and name HN)) ((resid {G} 114 and name HA1)) 1.8 0.0 1.0 !
assign ((resid {G} 114 and name HA1)) ((resid {L} 91 and name HD2#) or
(resid {L} 91 and name HD1#)) 1.8 0.0 3.7 !
assign ((resid {G} 114 and name HA2)) ((resid {L} 91 and name HD2#) or
(resid {L} 91 and name HD1#)) 1.8 0.0 3.7 !
!T94
assign (resid {T} 94 and name HN) (resid {S} 93 and name HA) 1.8 0.0 1.0
assign (resid {T} 94 and name HN) (resid {S} 94 and name HA) 1.8 0.0 2.2
assign ((resid {T} 94 and name HN)) ((resid {S} 93 and name HB1) or
(resid {S} 93 and name HB2)) 1.8 0.0 3.2 !
assign (resid {T} 94 and name HN) (resid {T} 94 and name HG2#) 1.8 0.0 3.0
assign ((resid {T} 94 and name HN)) ((resid {V} 95 and name HG2#) or
(resid {V} 95 and name HG1#)) 1.8 0.0 3.7 !!
assign ((resid {T} 94 and name HB)) ((resid {I} 124 and name HD1#)) 1.8 0.0 4.7 !
assign (resid {T} 94 and name HA) (resid {F} 77 and name HD*) 1.8 0.0 4.2
assign (resid {T} 94 and name HG2#) (resid {F} 77 and name HD*) 1.8 0.0 6.7
!S66
assign (resid {S} 66 and name HN) (resid {S} 66 and name HA) 1.8 0.0 1.0
assign (resid {S} 66 and name HN) (resid {R} 65 and name HA) 1.8 0.0 1.5
assign ((resid {S} 66 and name HN)) ((resid {S} 66 and name HB1)) 1.8 0.0 2.2 !
assign (resid {S} 66 and name HN) (resid {R} 65 and name HB1) 1.8 0.0 2.7
assign (resid {S} 66 and name HN) (resid {R} 65 and name HB2) 1.8 0.0 2.7
assign (resid {S} 66 and name HN) (resid {R} 65 and name HG1) 1.8 0.0 2.7
assign (resid {S} 66 and name HN) (resid {R} 65 and name HG2) 1.8 0.0 2.7
assign ((resid {S} 66 and name HA)) ((resid {D} 67 and name HA)) 1.8 0.0 2.7 !
assign ((resid {S} 66 and name HA)) ((resid {R} 65 and name HA)) 1.8 0.0 2.7 !
assign ((resid {S} 66 and name HA)) ((resid {S} 66 and name HB1)) 1.8 0.0 1.0 !
assign ((resid {S} 66 and name HA)) ((resid {S} 66 and name HB2)) 1.8 0.0 1.5 !
assign ((resid {S} 66 and name HA)) ((resid {R} 65 and name HB1) or
(resid {R} 65 and name HB2)) 1.8 0.0 3.2 !
assign ((resid {S} 66 and name HA)) ((resid {R} 65 and name HG1) or
(resid {R} 65 and name HG2)) 1.8 0.0 3.2 !
assign ((resid {S} 66 and name HB2)) ((resid {L} 63 and name HD*)) 1.8 0.0 5.6 !
assign ((resid {S} 66 and name HB1)) ((resid {L} 63 and name HB1) or
(resid {L} 63 and name HB2)) 1.8 0.0 2.2 !
assign ((resid {S} 66 and name HB2)) ((resid {L} 63 and name HB1) or
(resid {L} 63 and name HB2)) 1.8 0.0 2.2 !
assign ((resid {S} 66 and name HB2)) ((resid {L} 63 and name HD*)) 1.8 0.0 5.6 !
!N185
assign ((resid {N} 185 and name HN)) ((resid {N} 185 and name HA)) 1.8 0.0 3.2 !
assign ((resid {N} 185 and name HN)) ((resid {N} 185 and name HB1)) 1.8 0.0 1.0 !
assign ((resid {N} 185 and name HN)) ((resid {A} 183 and name HB#)) 1.8 0.0 3.7 !
assign (resid {N} 185 and name HB1) (resid {N} 185 and name HA) 1.8 0.0 1.5
assign (resid {N} 185 and name HB2) (resid {N} 185 and name HA) 1.8 0.0 1.5
assign ((resid {N} 185 and name HB2)) ((resid {D} 182 and name HA)) 1.8 0.0 1.5 !
assign ((resid {N} 185 and name HB2)) ((resid {Y} 24 and name HD*)) 1.8 0.0 6.2 {vw} !
!D182
assign ((resid {D} 182 and name HN)) ((resid {Y} 27 and name HD*)) 1.8 0.0 5.2
assign (resid {D} 182 and name HN) (resid {D} 182 and name HA) 1.8 0.0 2.2
assign (resid {D} 182 and name HN) (resid {E} 181 and name HA) 1.8 0.0 2.2
assign (resid {D} 182 and name HN) (resid {E} 181 and name HB1) 1.8 0.0 3.2
assign (resid {D} 182 and name HN) (resid {E} 181 and name HB2) 1.8 0.0 3.2
assign ((resid {D} 182 and name HA)) ((resid {Y} 27 and name HD*)) 1.8 0.0 5.2
assign ((resid {D} 182 and name HB#)) ((resid {D} 182 and name HA)) 1.8 0.0 3.2 !
!R92 sc
assign ((resid {R} 92 and name HE)) ((resid {V} 74 and name HG1#)) 1.8 0.0 3.7 !
!H101
assign (resid {H} 101 and name HN) (resid {H} 101 and name HA) 1.8 0.0 2.2
assign (resid {H} 101 and name HN) (resid {N} 100 and name HA) 1.8 0.0 2.2
assign (resid {H} 101 and name HN) (resid {K} 48 and name HA) 1.8 0.0 2.7
assign (resid {H} 101 and name HN) (resid {H} 101 and name HB1) 1.8 0.0 2.2
assign (resid {H} 101 and name HN) (resid {H} 101 and name HB2) 1.8 0.0 2.2
assign (resid {H} 101 and name HA) (resid {H} 101 and name HD2) 1.8 0.0 3.2
assign (resid {H} 101 and name HA) (resid {H} 101 and name HE1) 1.8 0.0 3.2
assign (resid {H} 101 and name HA) (resid {I} 101 and name HB2) 1.8 0.0 1.0
assign ((resid {H} 101 and name HA)) ((resid {K} 48 and name HE1)) 1.8 0.0 3.2
assign ((resid {H} 101 and name HA)) ((resid {K} 48 and name HE2)) 1.8 0.0 3.2
assign ((resid {H} 101 and name HA)) ((resid {K} 48 and name HD#)) 1.8 0.0 3.2
!E113 done
!G119
assign ((resid {G} 119 and name HN)) ((resid {G} 119 and name HA#)) 1.8 0.0 2.0 !
assign ((resid {G} 119 and name HN)) ((resid {V} 118 and name HA)) 1.8 0.0 1.0 !
assign (resid {G} 119 and name HN) (resid {V} 118 and name HB) 1.8 0.0 3.2
assign (resid {G} 119 and name HN) (resid {V} 118 and name HG*) 1.8 0.0 3.9
assign (resid {G} 119 and name HN) (resid {V} 103 and name HG2#) 1.8 0.0 3.0
!M146
assign (resid {M} 146 and name HN) (resid {G} 145 and name HA2) 1.8 0.0 1.0
assign (resid {M} 146 and name HN) (resid {G} 145 and name HA1) 1.8 0.0 1.5
assign (resid {M} 146 and name HN) (resid {M} 146 and name HA) 1.8 0.0 2.2
assign (resid {M} 146 and name HN) (resid {M} 146 and name HG1) 1.8 0.0 3.2
assign (resid {M} 146 and name HN) (resid {M} 146 and name HG2) 1.8 0.0 3.2
assign (resid {M} 146 and name HN) (resid {M} 146 and name HB1) 1.8 0.0 2.2
assign (resid {M} 146 and name HN) (resid {M} 146 and name HB2) 1.8 0.0 1.5
assign (resid {M} 146 and name HN) (resid {M} 146 and name HE#) 1.8 0.0 4.7
assign ((resid {M} 146 and name HA)) ((resid {M} 146 and name HB#)) 1.8 0.0 2.0 !
assign ((resid {M} 146 and name HA)) ((resid {Y} 24 and name HD*)) 1.8 0.0 5.2 !
assign ((resid {M} 146 and name HA)) ((resid {Y} 24 and name HE*)) 1.8 0.0 5.2 !
assign ((resid {M} 146 and name HA)) ((resid {G} 145 and name HA1)) 1.8 0.0 2.7 !
assign ((resid {M} 146 and name HA)) ((resid {G} 145 and name HA1)) 1.8 0.0 3.2 !
assign ((resid {M} 146 and name HB1) or
(resid {M} 146 and name HB2)) ((resid {L} 55 and name HD1#) or
(resid {L} 55 and name HD2#)) 1.8 0.0 3.7 !
assign ((resid {M} 146 and name HB1) or
(resid {M} 146 and name HB2)) ((resid {W} 58 and name HB2)) 1.8 0.0 4.2 {vw} !
assign ((resid {M} 146 and name HG1)) ((resid {L} 55 and name HD1#) or
(resid {L} 55 and name HD2#)) 1.8 0.0 3.0 !
assign ((resid {M} 146 and name HG2)) ((resid {L} 55 and name HD1#) or
(resid {L} 55 and name HD2#)) 1.8 0.0 3.0 !
assign ((resid {M} 146 and name HG1)) ((resid {M} 146 and name HA)) 1.8 0.0 2.2 !
assign ((resid {M} 146 and name HG2)) ((resid {M} 146 and name HA)) 1.8 0.0 1.5 !
assign ((resid {M} 146 and name HG1)) ((resid {W} 58 and name HB2)) 1.8 0.0 3.2 !
assign ((resid {M} 146 and name HG2)) ((resid {W} 58 and name HB2)) 1.8 0.0 3.2 !
assign ((resid {M} 146 and name HE#)) ((resid {L} 55 and name HD1#) or
(resid {L} 55 and name HD2#)) 1.8 0.0 6.2 !
assign ((resid {M} 146 and name HE#)) ((resid {M} 146 and name HB1) or
(resid {M} 146 and name HB2)) 1.8 0.0 2.5 !
assign ((resid {M} 146 and name HE#)) ((resid {L} 149 and name HD1#)) 1.8 0.0 4.0 !
assign ((resid {M} 146 and name HE#)) ((resid {E} 147 and name HB#)) 1.8 0.0 3.5 !
assign ((resid {M} 146 and name HE#)) ((resid {W} 142 and name HB1)) 1.8 0.0 4.7 !
assign ((resid {M} 146 and name HE#)) ((resid {W} 142 and name HB2)) 1.8 0.0 3.7 !
assign ((resid {M} 146 and name HE#)) ((resid {W} 58 and name HN)) 1.8 0.0 5.7 {vw 9.38 D2O} !
assign ((resid {M} 146 and name HE#)) ((resid {L} 57 and name HA)) 1.8 0.0 5.7 !
assign ((resid {M} 146 and name HE#)) ((resid {L} 143 and name HA)) 1.8 0.0 4.2 !
assign ((resid {M} 146 and name HE#)) ((resid {L} 145 and name HA1)) 1.8 0.0 4.7 !
assign ((resid {M} 146 and name HE#)) ((resid {L} 144 and name HA1)) 1.8 0.0 5.7 !
!G21
assign (resid {G} 21 and name HN) (resid {D} 20 and name HA) 1.8 0.0 2.2
assign (resid {G} 21 and name HN) (resid {G} 21 and name HA2) 1.8 0.0 1.5
assign (resid {G} 21 and name HN) (resid {T} 23 and name HB) 1.8 0.0 3.2
assign ((resid {G} 21 and name HN)) ((resid {D} 20 and name HB2) or
(resid {D} 20 and name HB1)) 1.8 0.0 2.2 !
assign (resid {G} 21 and name HN) (resid {T} 23 and name HG2#) 1.8 0.0 4.7
assign ((resid {G} 21 and name HN)) ((resid {I} 164 and name HD1#)) 1.8 0.0 4.2 !
assign ((resid {G} 21 and name HA2)) ((resid {I} 164 and name HG12) or
(resid {I} 164 and name HG11)) 1.8 0.0 2.2 !
assign ((resid {G} 21 and name HA1)) ((resid {I} 164 and name HG12) or
(resid {I} 164 and name HG11)) 1.8 0.0 2.2 !
assign ((resid {G} 21 and name HA2)) ((resid {I} 164 and name HB)) 1.8 0.0 3.2 !
!S127
assign (resid {S} 127 and name HN) (resid {S} 127 and name HA) 1.8 0.0 1.5
assign (resid {S} 127 and name HN) (resid {G} 126 and name HA1) 1.8 0.0 1.0
assign (resid {S} 127 and name HN) (resid {G} 126 and name HA2) 1.8 0.0 1.0
assign ((resid {S} 127 and name HN)) ((resid {S} 127 and name HB1)) 1.8 0.0 2.2 !
assign ((resid {S} 127 and name HN)) ((resid {V} 89 and name HG2#)) 1.8 0.0 3.0 !
assign (resid {S} 127 and name HA) (resid {A} 127 and name HB2) 1.8 0.0 1.0
assign (resid {S} 127 and name HA) (resid {A} 127 and name HB1) 1.8 0.0 1.5
assign ((resid {S} 127 and name HA)) ((resid {E} 113 and name HB#)) 1.8 0.0 3.2 !
assign ((resid {S} 127 and name HB2)) ((resid {V} 89 and name HG2#)) 1.8 0.0 3.7 !
assign ((resid {S} 127 and name HB1)) ((resid {E} 113 and name HB#)) 1.8 0.0 2.0 !
assign ((resid {S} 127 and name HB2)) ((resid {E} 113 and name HB#)) 1.8 0.0 2.0 !
assign ((resid {S} 127 and name HB1)) ((resid {R} 112 and name HG#)) 1.8 0.0 3.2 !
assign ((resid {S} 127 and name HB2)) ((resid {R} 112 and name HG#)) 1.8 0.0 3.2 !
assign ((resid {S} 127 and name HB1)) ((resid {E} 113 and name HA)) 1.8 0.0 1.5 !
assign ((resid {S} 127 and name HB2)) ((resid {E} 113 and name HA)) 1.8 0.0 1.5 !
assign ((resid {S} 127 and name HB1)) ((resid {G} 114 and name HN)) 1.8 0.0 3.2
assign ((resid {S} 127 and name HB2)) ((resid {G} 114 and name HN)) 1.8 0.0 3.2
!S150
assign (resid {S} 150 and name HN) (resid {L} 149 and name HA) 1.8 0.0 2.2
assign (resid {S} 150 and name HN) (resid {R} 148 and name HA) 1.8 0.0 3.2
assign (resid {S} 150 and name HN) (resid {S} 150 and name HB1) 1.8 0.0 2.2
assign (resid {S} 150 and name HN) (resid {S} 150 and name HB2) 1.8 0.0 2.2
assign ((resid {S} 150 and name HN)) ((resid {R} 148 and name HB1) or
(resid {R} 148 and name HB2)) 1.8 0.0 2.2 !
assign ((resid {S} 150 and name HN)) ((resid {L} 149 and name HB1) or
(resid {L} 149 and name HB2)) 1.8 0.0 2.2 !
assign (resid {S} 150 and name HN) (resid {V} 151 and name HB) 1.8 0.0 2.2
!Q117 sc
assign (resid {Q} 117 and name HE21) (resid {N} 120 and name HA) 1.8 0.0 3.2
assign (resid {Q} 117 and name HE22) (resid {N} 120 and name HA) 1.8 0.0 3.2
assign ((resid {Q} 117 and name HE21)) ((resid {G} 119 and name HA#)) 1.8 0.0 5.2 {vw} !
assign ((resid {Q} 117 and name HE21)) ((resid {Q} 117 and name HB#)) 1.8 0.0 2.2 !
assign ((resid {Q} 117 and name HE21)) ((resid {Q} 117 and name HG2)) 1.8 0.0 2.2 !
!Y159
assign (resid {Y} 159 and name HN) (resid {Y} 159 and name HD*) 1.8 0.0 3.0
assign (resid {Y} 159 and name HN) (resid {Y} 159 and name HA) 1.8 0.0 2.2
assign (resid {Y} 159 and name HN) (resid {A} 158 and name HA) 1.8 0.0 3.2
assign (resid {Y} 159 and name HN) (resid {Y} 159 and name HB1) 1.8 0.0 2.2
assign (resid {Y} 159 and name HN) (resid {Y} 159 and name HB2) 1.8 0.0 2.2
assign (resid {Y} 159 and name HN) (resid {A} 158 and name HB#) 1.8 0.0 3.7
assign (resid {Y} 159 and name HA) (resid {Y} 159 and name HD*) 1.8 0.0 5.2
assign ((resid {Y} 159 and name HA)) ((resid {G} 162 and name HA1) or
(resid {G} 162 and name HA2)) 1.8 0.0 3.2 !
!assign ((resid {Y} 159 and name HA)) ((resid {K} 157 and name HB1) or
! (resid {K} 157 and name HB2)) 1.8 0.0 4.2 {vw, 1.78 TENT z alt 70HB# but not sym} !
assign ((resid {Y} 159 and name HA)) ((resid {L} 149 and name HD2#)) 1.8 0.0 4.7 !
!assign ((resid {Y} 159 and name HA)) ((resid {T} 161 and name HG2#)) 1.8 0.0 3.7 !
assign ((resid {Y} 159 and name HA)) ((resid {L} 155 and name HD1#)) 1.8 0.0 3.7 !
assign ((resid {Y} 159 and name HA)) ((resid {L} 155 and name HD2#)) 1.8 0.0 3.7 !
!S160
assign (resid {S} 160 and name HN) (resid {Y} 159 and name HD*) 1.8 0.0 4.2
assign (resid {S} 160 and name HN) (resid {K} 157 and name HA) 1.8 0.0 1.5
!assign ((resid {S} 160 and name HN)) ((resid {H} 153 and name HA)) 1.8 0.0 2.2 !
!assign ((resid {S} 160 and name HN)) ((resid {P} 156 and name HD2) or
! (resid {P} 156 and name HD1)) 1.8 0.0 2.2 !
assign (resid {S} 160 and name HN) (resid {S} 160 and name HB1) 1.8 0.0 1.5
assign (resid {S} 160 and name HN) (resid {S} 160 and name HB2) 1.8 0.0 1.5
assign (resid {S} 160 and name HN) (resid {Y} 159 and name HB1) 1.8 0.0 2.2
assign (resid {S} 160 and name HN) (resid {Y} 159 and name HB2) 1.8 0.0 2.2
assign (resid {S} 160 and name HN) (resid {A} 158 and name HB#) 1.8 0.0 4.7
assign ((resid {S} 160 and name HN)) ((resid {K} 157 and name HB1) or
(resid {K} 157 and name HB2)) 1.8 0.0 2.7 !
assign (resid {S} 160 and name HA) (resid {S} 160 and name HB1) 1.8 0.0 1.0
assign (resid {S} 160 and name HA) (resid {Y} 159 and name HD*) 1.8 0.0 4.2
assign ((resid {S} 160 and name HB1)) ((resid {Y} 159 and name HD*)) 1.8 0.0 6.2 !
!assign ((resid {S} 160 and name HB1)) ((resid {H} 153 and name HE1)) 1.8 0.0 2.2 !
assign ((resid {S} 160 and name HB1)) ((resid {K} 157 and name HG1) or
(resid {K} 157 and name HG2)) 1.8 0.0 1.0 !
!Q175 sc
assign ((resid {Q} 175 and name HE21)) ((resid {V} 31 and name HG1#) or
(resid {V} 31 and name HG2#)) 1.8 0.0 4.7 !
assign ((resid {Q} 175 and name HE22)) ((resid {V} 31 and name HG1#) or
(resid {V} 31 and name HG2#)) 1.8 0.0 4.7 !
!Q53 sc
assign (resid {Q} 53 and name HE21) (resid {D} 75 and name HA) 1.8 0.0 4.2
assign (resid {Q} 53 and name HE22) (resid {D} 75 and name HA) 1.8 0.0 4.2
assign ((resid {Q} 53 and name HB1)) ((resid {Q} 53 and name HE21)) 1.8 0.0 2.2 !
assign ((resid {Q} 53 and name HB2)) ((resid {Q} 53 and name HE21)) 1.8 0.0 2.2 !
assign ((resid {Q} 53 and name HB1)) ((resid {Q} 53 and name HE22)) 1.8 0.0 3.2 !
!G131
assign (resid {G} 131 and name HN) (resid {L} 130 and name HA) 1.8 0.0 1.0
assign ((resid {G} 131 and name HN)) ((resid {G} 131 and name HA1) or
(resid {G} 131 and name HA2)) 1.8 0.0 1.5 !
assign (resid {G} 131 and name HN) (resid {L} 130 and name HG) 1.8 0.0 2.2
assign ((resid {G} 131 and name HN)) ((resid {L} 130 and name HD2#) or
(resid {L} 130 and name HD1#)) 1.8 0.0 3.7 !
assign ((resid {G} 131 and name HA2) or
(resid {G} 131 and name HA1)) ((resid {L} 130 and name HD*)) 1.8 0.0 5.6 !
assign (resid {G} 131 and name HA1) (resid {L} 130 and name HB#) 1.8 0.0 4.2
!G144
assign (resid {G} 144 and name HN) (resid {L} 143 and name HA) 1.8 0.0 1.5
assign (resid {G} 144 and name HN) (resid {G} 145 and name HA2) 1.8 0.0 2.2
assign ((resid {G} 144 and name HN)) ((resid {L} 143 and name HB1)) 1.8 0.0 3.2 !
assign ((resid {G} 144 and name HN)) ((resid {L} 57 and name HB1) or
(resid {L} 57 and name HB2)) 1.8 0.0 3.2 !
assign ((resid {G} 144 and name HN)) ((resid {L} 143 and name HD2#) or
(resid {L} 143 and name HD1#)) 1.8 0.0 4.2 !
assign (resid {G} 144 and name HA2) (resid {L} 55 and name HG) 1.8 0.0 2.7
assign ((resid {G} 144 and name HA2)) ((resid {L} 55 and name HD*)) 1.8 0.0 5.6 !
assign ((resid {G} 144 and name HA1)) ((resid {L} 55 and name HD*)) 1.8 0.0 5.6 !
assign ((resid {G} 144 and name HA1)) ((resid {F} 19 and name HE1) or
(resid {F} 19 and name HE2)) 1.8 0.0 3.2 !
assign ((resid {G} 144 and name HA2)) ((resid {F} 19 and name HE1) or
(resid {F} 19 and name HE2)) 1.8 0.0 3.2 !
!R148 sc (salt bridge E147?)
assign ((resid {R} 148 and name HE)) ((resid {I} 151 and name HG1#) or
(resid {I} 151 and name HG2#)) 1.8 0.0 4.7 !
assign ((resid {R} 148 and name HE)) ((resid {M} 146 and name HE#)) 1.8 0.0 4.7 !
!T99
assign (resid {T} 99 and name HN) (resid {T} 99 and name HB) 1.8 0.0 2.2
assign (resid {T} 99 and name HN) (resid {T} 99 and name HA) 1.8 0.0 1.5
assign (resid {T} 99 and name HN) (resid {N} 98 and name HA) 1.8 0.0 1.0
assign (resid {T} 99 and name HN) (resid {T} 99 and name HG2#) 1.8 0.0 3.0
assign (resid {T} 99 and name HG2#) (resid {H} 101 and name HE1) 1.8 0.0 3.7
assign (resid {T} 99 and name HG2#) (resid {H} 101 and name HD2) 1.8 0.0 3.7
assign (resid {T} 99 and name HG2#) (resid {H} 101 and name HB1) 1.8 0.0 4.7
assign (resid {T} 99 and name HG2#) (resid {H} 101 and name HB2) 1.8 0.0 4.7
!G165 (Ha ovlp w G126)
assign ((resid {G} 165 and name HA1)) ((resid {T} 49 and name HG2#)) 1.8 0.0 3.7 !
assign ((resid {G} 165 and name HA2)) ((resid {T} 49 and name HG2#)) 1.8 0.0 4.7 !
assign ((resid {G} 165 and name HN)) ((resid {C} 166 and name HA)) 1.8 0.0 3.2 !
assign ((resid {G} 165 and name HN)) ((resid {G} 165 and name HA1)) 1.8 0.0 1.5 !
assign ((resid {G} 165 and name HN)) ((resid {G} 165 and name HA2)) 1.8 0.0 1.0 !
assign (resid {G} 165 and name HN) (resid {I} 164 and name HA) 1.8 0.0 1.0
assign ((resid {G} 165 and name HN)) ((resid {F} 19 and name HB1)) 1.8 0.0 2.2 !
assign ((resid {G} 165 and name HN)) ((resid {F} 19 and name HB2)) 1.8 0.0 1.5 !
assign (resid {G} 165 and name HN) (resid {I} 164 and name HB) 1.8 0.0 3.2
assign (resid {G} 165 and name HN) (resid {I} 164 and name HG2#) 1.8 0.0 3.0
!G126
assign (resid {G} 126 and name HN) (resid {T} 125 and name HA) 1.8 0.0 1.0
assign (resid {G} 126 and name HN) (resid {G} 126 and name HA1) 1.8 0.0 2.2
assign (resid {G} 126 and name HN) (resid {G} 126 and name HA2) 1.8 0.0 2.2
assign (resid {G} 126 and name HN) (resid {S} 127 and name HA) 1.8 0.0 2.7 !
assign (resid {G} 126 and name HN) (resid {T} 125 and name HB) 1.8 0.0 1.5
assign (resid {G} 126 and name HN) (resid {T} 125 and name HG2#) 1.8 0.0 3.7
assign ((resid {G} 126 and name HN)) ((resid {V} 89 and name HG2#)) 1.8 0.0 3.7 !
assign ((resid {G} 126 and name HN)) ((resid {L} 91 and name HD1#)or
(resid {L} 91 and name HD2#)) 1.8 0.0 3.7 !
assign ((resid {G} 126 and name HN)) ((resid {E} 113 and name HG1) or
(resid {E} 113 and name HG2)) 1.8 0.0 3.2 !
assign ((resid {G} 126 and name HA1)) ((resid {V} 89 and name HG2#)) 1.8 0.0 3.7 !
assign ((resid {G} 126 and name HA2)) ((resid {V} 89 and name HG2#)) 1.8 0.0 3.7 !
!G54
assign (resid {G} 54 and name HN) (resid {Q} 53 and name HA) 1.8 0.0 1.0
assign ((resid {G} 54 and name HN)) ((resid {G} 54 and name HA#)) 1.8 0.0 1.5 !
assign ((resid {G} 54 and name HN)) ((resid {Q} 53 and name HG1)) 1.8 0.0 1.0 !
assign ((resid {G} 54 and name HN)) ((resid {Q} 53 and name HG2)) 1.8 0.0 3.2 !
assign ((resid {G} 54 and name HN)) ((resid {I} 73 and name HB)) 1.8 0.0 1.5 !
assign (resid {G} 54 and name HN) (resid {V} 74 and name HG1#) 1.8 0.0 5.2
assign (resid {G} 54 and name HN) (resid {V} 74 and name HG2#) 1.8 0.0 5.2
assign (resid {G} 54 and name HN) (resid {I} 73 and name HD1#) 1.8 0.0 5.2
!assign ((resid {G} 54 and name HA1) or
! (resid {G} 54 and name HA2)) ((resid {T} 52 and name HG2#)) 1.8 0.0 5.7 !
!R174
assign (resid {R} 174 and name HN) (resid {V} 172 and name HA) 1.8 0.0 3.2
assign (resid {R} 174 and name HN) (resid {D} 173 and name HA) 1.8 0.0 2.2
assign (resid {R} 174 and name HN) (resid {R} 174 and name HA) 1.8 0.0 1.0
assign ((resid {R} 174 and name HN)) ((resid {R} 174 and name HB1) or
(resid {R} 174 and name HB2)) 1.8 0.0 1.5 !
assign (resid {R} 174 and name HN) (resid {I} 171 and name HG2#) 1.8 0.0 3.0
assign (resid {R} 174 and name HE) (resid {I} 171 and name HG2#) 1.8 0.0 4.7
assign ((resid {R} 174 and name HA)) ((resid {R} 174 and name HB1)) 1.8 0.0 1.0 !
assign ((resid {R} 174 and name HA)) ((resid {R} 174 and name HB2)) 1.8 0.0 1.0 !
assign ((resid {R} 174 and name HA)) ((resid {R} 174 and name HG1) or
(resid {R} 174 and name HG2)) 1.8 0.0 1.5 !
assign (resid {R} 174 and name HA) (resid {I} 174 and name HD#) 1.8 0.0 2.5
assign (resid {R} 174 and name HA) (resid {I} 171 and name HG2#) 1.8 0.0 2.5
assign (resid {R} 174 and name HD#) (resid {I} 171 and name HG2#) 1.8 0.0 5.2
!G139
!assign (resid {G} 139 and name HN) (resid {N} 29 and name HA) 1.8 0.0 2.2
assign (resid {G} 139 and name HN) (resid {D} 138 and name HA) 1.8 0.0 2.2
assign (resid {G} 139 and name HN) (resid {G} 139 and name HA1) 1.8 0.0 2.2
assign (resid {G} 139 and name HN) (resid {G} 139 and name HA2) 1.8 0.0 2.2
assign ((resid {G} 139 and name HN)) ((resid {V} 31 and name HG1#) or
(resid {V} 31 and name HG2#)) 1.8 0.0 3.7 !
!G145
assign (resid {G} 145 and name HN) (resid {G} 145 and name HA1) 1.8 0.0 1.5
assign (resid {G} 145 and name HN) (resid {G} 145 and name HA2) 1.8 0.0 1.5
assign ((resid {G} 145 and name HA1)) ((resid {Y} 24 and name HD*) or
(resid {F} 19 and name HE*)) 1.8 0.0 6.2 {vw 6.74}
assign ((resid {G} 145 and name HA2)) ((resid {Y} 24 and name HD*) or
(resid {F} 19 and name HE*)) 1.8 0.0 5.2
assign (resid {G} 145 and name HA1) (resid {F} 163 and name HD*) 1.8 0.0 6.2 {vw 6.56}
assign (resid {G} 145 and name HA2) (resid {F} 163 and name HD*) 1.8 0.0 6.2 {vw 6.56}
assign ((resid {G} 145 and name HA1)) ((resid {M} 146 and name HB1) or
(resid {M} 146 and name HB2)) 1.8 0.0 2.7 !
assign ((resid {G} 145 and name HA2)) ((resid {M} 146 and name HB1) or
(resid {M} 146 and name HB2)) 1.8 0.0 3.2 !
assign ((resid {G} 145 and name HA2)or
(resid {G} 145 and name HA1)) ((resid {M} 146 and name HG1) or
(resid {M} 146 and name HG2)) 1.8 0.0 4.2 {vw}!
!V118
assign (resid {V} 118 and name HN) (resid {V} 118 and name HG*) 1.8 0.0 3.0 !
assign (resid {V} 118 and name HN) (resid {Q} 117 and name HA) 1.8 0.0 1.5
assign (resid {V} 118 and name HN) (resid {V} 118 and name HA) 1.8 0.0 2.2
assign (resid {V} 118 and name HN) (resid {V} 118 and name HB) 1.8 0.0 1.5
assign ((resid {V} 118 and name HN)) ((resid {E} 121 and name HB1) or
(resid {E} 121 and name HB2)) 1.8 0.0 3.2 !
assign ((resid {V} 118 and name HN)) ((resid {Q} 117 and name HG1) or
(resid {Q} 117 and name HG2)) 1.8 0.0 3.2 !
assign (resid {V} 118 and name HA) (resid {I} 105 and name HG2#) 1.8 0.0 4.7 !
assign (resid {V} 118 and name HA) (resid {S} 93 and name HB2) 1.8 0.0 3.2 !
!T52
assign (resid {T} 52 and name HN) (resid {T} 52 and name HB) 1.8 0.0 2.2
assign (resid {T} 52 and name HN) (resid {A} 51 and name HB#) 1.8 0.0 2.5
assign (resid {T} 52 and name HN) (resid {T} 52 and name HG2#) 1.8 0.0 3.0
assign (resid {T} 52 and name HN) (resid {A} 50 and name HA) 1.8 0.0 4.2 {vw}
assign (resid {T} 52 and name HA) (resid {I} 73 and name HG2#) 1.8 0.0 3.0
assign (resid {T} 52 and name HA) (resid {I} 73 and name HD1#) 1.8 0.0 4.2
assign (resid {T} 52 and name HA) (resid {G} 76 and name HN) 1.8 0.0 2.2
!assign (resid {T} 52 and name HB) (resid {I} 73 and name HG2#) 1.8 0.0 3.7
!assign (resid {T} 52 and name HB) (resid {I} 73 and name HD1#) 1.8 0.0 4.7
assign ((resid {T} 52 and name HB)) ((resid {G} 76 and name HA1) or
(resid {G} 76 and name HA2)) 1.8 0.0 1.5 !
assign (resid {T} 52 and name HB) (resid {Q} 53 and name HB2) 1.8 0.0 3.2
!PROBLEMS
!
! PROTECTED AMIDES THAT DON'T FIT WITH H-BONDS
!
!!H-bonds (need to account for: D169 (15), V78 (95?), L84 (87?), G145x (55?), I164x (E50 sc?))
!
!
! only wk prot
!M146x, [(T32 or G62 (68 OH?))x, T23 (20 OD1 sure),L190 (18?), Q53x]
!
!assign (resid {T} 49 and name N )(resid {N} 100 and name O ) 2.5 0.0 1.0
!assign (resid {T} 49 and name HN )(resid {N} 100 and name O ) 1.5 0.0 1.0
!assign (resid {I} 164 and name N )(resid {D} 20 and name O ) 2.5 0.0 1.0
!assign (resid {I} 164 and name HN )(resid {D} 20 and name O ) 1.5 0.0 1.0
!assign (resid {L} 190 and name N )(resid {A} 18 and name O ) 2.5 0.0 1.0
!assign (resid {L} 190 and name HN )(resid {A} 18 and name O ) 1.5 0.0 1.0
!assign (resid {V} 78 and name N )(resid {V} 95 and name O ) 2.5 0.0 1.0
!assign (resid {V} 78 and name HN )(resid {V} 95 and name O ) 1.5 0.0 1.0
!assign (resid {A} 51 and name N )(resid {T} 49 and name OG ) 2.5 0.0 1.0
!assign (resid {A} 51 and name HN )(resid {T} 49 and name OG ) 1.5 0.0 1.0
!
!UNASSSIGNED spin systems
! R side chain 6.88, 108.28 has NOE's including to 0.60
! Y27 8.23,126.80 mostly unassigned
! K157 8.98, 126.34
!R65 8.63, 116.61
!
!
!
!!***********
!!!***********************************************************************************
!!!***********************************************************************************
!!!***********************************************************************************
!!!***********************************************************************************
!!!*** END of NOE'S to definitely keep ***
Contact the webmaster for help, if required. Thursday, May 2, 2024 2:30:00 AM GMT (wattos1)