NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
14453 |
1wrf   |
cing | 1-original | 3 | XPLOR/CNS | distance | NOE | ambi |
remarks Der f 2
remarks No pseudoatoms are used.
set echo=false end
set wrnlev=0 end
assign (resid 120 and name HN )
((resid 119 and name HA ) or (resid 120 and name HA )) 1.8 0.0 1.60 !9
assign ((resid 90 and name HN ) or (resid 92 and name HN ))
(resid 37 and name HD* ) 1.8 0.0 5.13 !166
assign ((resid 90 and name HN ) or (resid 92 and name HN ))
((resid 89 and name HA ) or (resid 92 and name HA )) 1.8 0.0 2.16 !198
assign ((resid 90 and name HN ) or (resid 92 and name HN ))
((resid 89 and name HB# ) or (resid 37 and name HG )) 1.8 0.0 4.17 !202
assign ((resid 90 and name HN ) or (resid 92 and name HN ))
((resid 36 and name HG2#) or (resid 91 and name HG2#)) 1.8 0.0 4.13 !205
assign ((resid 90 and name HN ) or (resid 92 and name HN ))
(resid 37 and name HD* ) 1.8 0.0 4.98 !206
assign (resid 117 and name HN )
((resid 111 and name HG1#) or (resid 117 and name HD* )) 1.8 0.0 2.75 !263
assign ((resid 39 and name HN ) or (resid 117 and name HN ))
((resid 39 and name HB# ) or (resid 117 and name HB# )) 1.8 0.0 2.74 !292
assign ((resid 62 and name HN ) or (resid 128 and name HN ))
((resid 61 and name HA ) or (resid 128 and name HA )) 1.8 0.0 1.66 !319
assign ((resid 62 and name HN ) or (resid 105 and name HN ))
((resid 62 and name HB# ) or (resid 105 and name HB )) 1.8 0.0 2.13 !320
assign (resid 128 and name HN )
((resid 31 and name HB# ) or (resid 127 and name HG1#)) 1.8 0.0 2.91 !321
assign (resid 17 and name HN )
((resid 17 and name HB# ) or (resid 17 and name HE# )) 1.8 0.0 2.55 !586
assign (resid 104 and name HN )
((resid 103 and name HA ) or (resid 104 and name HA )) 1.8 0.0 1.69 !604
assign (resid 98 and name HN )
((resid 97 and name HG1#) or (resid 98 and name HB# )) 1.8 0.0 1.92 !708
assign (resid 98 and name HN )
((resid 97 and name HG2#) or (resid 97 and name HD1#)) 1.8 0.0 3.64 !716
assign ((resid 24 and name HN ) or (resid 107 and name HN ))
((resid 23 and name HA# ) or (resid 107 and name HB )) 1.8 0.0 2.96 !817
assign (resid 40 and name HN )
((resid 40 and name HB# ) or (resid 40 and name HG )) 1.8 0.0 1.97 !1054
assign (resid 40 and name HN )
((resid 13 and name HG2#) or (resid 40 and name HD* )) 1.8 0.0 3.27 !1056
assign (resid 42 and name HN )
((resid 12 and name HB# ) or (resid 42 and name HB# )) 1.8 0.0 2.21 !1166
assign (resid 42 and name HN )
((resid 12 and name HB# ) or (resid 42 and name HB# )) 1.8 0.0 2.78 !1171
assign (resid 127 and name HN )
((resid 104 and name HB ) or (resid 126 and name HB# )
or (resid 127 and name HG1#)) 1.8 0.0 2.86 !1194
assign (resid 87 and name HN )
((resid 86 and name HB# ) or (resid 87 and name HB# )) 1.8 0.0 2.14 !1312
assign (resid 84 and name HN )
((resid 83 and name HA# ) or (resid 84 and name HA )) 1.8 0.0 1.97 !1352
assign (resid 126 and name HN )
((resid 28 and name HD1#) or (resid 104 and name HG* )) 1.8 0.0 4.33 !1456
assign (resid 126 and name HN )
((resid 104 and name HB ) or (resid 126 and name HB# )) 1.8 0.0 2.37 !1463
assign (resid 8 and name HN )
((resid 7 and name HB# ) or (resid 119 and name HB# )) 1.8 0.0 2.37 !1483
assign ((resid 3 and name HN ) or (resid 103 and name HN ))
((resid 17 and name HB# ) or (resid 102 and name HB# )) 1.8 0.0 4.45 !1494
assign (resid 15 and name HN )
((resid 14 and name HB# ) or (resid 40 and name HB# )) 1.8 0.0 3.14 !1608
assign (resid 74 and name HN )
((resid 73 and name HN ) or (resid 75 and name HN )) 1.8 0.0 1.75 !1705
assign ((resid 13 and name HN ) or (resid 118 and name HN ))
(resid 118 and name HA ) 1.8 0.0 2.62 !1744
assign ((resid 13 and name HN ) or (resid 118 and name HN ))
((resid 118 and name HB# ) or (resid 116 and name HG* )) 1.8 0.0 2.85 !1748
assign (resid 11 and name HN )
((resid 10 and name HB# ) or (resid 11 and name HB# )) 1.8 0.0 3.92 !1925
assign (resid 101 and name HN )
((resid 100 and name HA ) or (resid 101 and name HB# )) 1.8 0.0 1.85 !1941
assign (resid 32 and name HN )
((resid 31 and name HA ) or (resid 32 and name HA# )) 1.8 0.0 1.65 !2116
assign (resid 32 and name HN )
((resid 31 and name HB# ) or (resid 94 and name HB )) 1.8 0.0 2.26 !2122
assign (resid 32 and name HN )
((resid 31 and name HB# ) or (resid 31 and name HG# )) 1.8 0.0 2.81 !2123
assign ((resid 32 and name HN ) or (resid 45 and name HN ))
((resid 94 and name HG* ) or (resid 117 and name HD* )) 1.8 0.0 4.28 !2124
assign (resid 49 and name HN )
((resid 48 and name HA ) or (resid 49 and name HB )) 1.8 0.0 2.45 !2224
assign ((resid 96 and name HN ) or (resid 97 and name HN ))
((resid 96 and name HB# ) or (resid 95 and name HB# )) 1.8 0.0 2.86 !2280
set echo=true end
set wrnlev=5 end
remarks Der f 2
remarks No pseudoatoms are used.
set echo=false end
set wrnlev=0 end
assign (resid 110 and name HB# )
((resid 51 and name HN ) or (resid 117 and name HN )) 1.8 0.0 3.81 !89
assign (resid 31 and name HD# )
((resid 31 and name HB# ) or (resid 31 and name HG# )) 1.8 0.0 2.53 !127
assign (resid 40 and name HB# )
((resid 14 and name HN ) or (resid 41 and name HN )) 1.8 0.0 3.30 !148
assign (resid 117 and name HB# )
((resid 41 and name HD# ) or (resid 41 and name HE# )) 1.8 0.0 4.15 !162
assign (resid 112 and name HA# )
((resid 51 and name HN ) or (resid 117 and name HN )) 1.8 0.0 3.83 !204
assign (resid 41 and name HB# )
((resid 14 and name HN ) or (resid 41 and name HN )) 1.8 0.0 3.45 !276
assign ((resid 14 and name HE# ) or (resid 48 and name HE# )
or (resid 77 and name HE# ) or (resid 96 and name HE# ))
((resid 14 and name HG# ) or (resid 48 and name HG# )
or (resid 77 and name HG# ) or (resid 96 and name HG# )) 1.8 0.0 3.76 !329
assign ((resid 14 and name HE# ) or (resid 48 and name HE# )
or (resid 96 and name HE# ))
((resid 12 and name HA ) or (resid 48 and name HA )
or (resid 32 and name HA# )) 1.8 0.0 5.64 !361
assign ((resid 77 and name HE# ) or (resid 82 and name HE# ))
((resid 84 and name HB# ) or (resid 45 and name HB# )) 1.8 0.0 4.20 !363
assign ((resid 15 and name HE# ) or (resid 82 and name HE# )
or (resid 100 and name HE# ))
((resid 15 and name HD# ) or (resid 82 and name HD# )
or (resid 100 and name HB# )) 1.8 0.0 2.69 !370
assign (resid 109 and name HE# )
((resid 53 and name HG# ) or (resid 53 and name HG# )
or (resid 116 and name HB )) 1.8 0.0 3.45 !399
assign ((resid 61 and name HB# ) or (resid 63 and name HB ))
((resid 61 and name HA ) or (resid 63 and name HA )) 1.8 0.0 2.82 !409
assign (resid 109 and name HE# )
((resid 111 and name HG1#) or (resid 116 and name HG* )) 1.8 0.0 2.83 !462
assign ((resid 4 and name HB# ) or (resid 129 and name HB# ))
((resid 5 and name HN ) or (resid 129 and name HN )) 1.8 0.0 3.05 !477
assign ((resid 58 and name HB# ) or (resid 88 and name HB ))
((resid 58 and name HA ) or (resid 88 and name HA )) 1.8 0.0 2.48 !487
assign (resid 52 and name HB )
((resid 52 and name HD1#) or (resid 110 and name HD* )) 1.8 0.0 2.86 !503
assign ((resid 111 and name HB ) or (resid 121 and name HB ))
((resid 111 and name HD1#) or (resid 121 and name HG2#)
or (resid 121 and name HD1#)) 1.8 0.0 2.75 !549
assign (resid 78 and name HB# )
((resid 48 and name HA ) or (resid 78 and name HA )) 1.8 0.0 2.28 !578
assign ((resid 69 and name HB# ) or (resid 78 and name HB# ))
((resid 71 and name HN ) or (resid 78 and name HN )) 1.8 0.0 3.09 !585
assign (resid 78 and name HB# )
((resid 48 and name HA ) or (resid 78 and name HA )) 1.8 0.0 2.41 !586
assign ((resid 25 and name HB# ) or (resid 103 and name HB# ))
((resid 25 and name HA ) or (resid 58 and name HA )) 1.8 0.0 3.84 !657
assign (resid 54 and name HB )
((resid 54 and name HG2#) or (resid 54 and name HD1#)) 1.8 0.0 2.10 !676
assign (resid 46 and name HB# )
((resid 47 and name HN ) or (resid 82 and name HN )) 1.8 0.0 3.40 !732
assign (resid 46 and name HB# )
((resid 47 and name HN ) or (resid 82 and name HN )) 1.8 0.0 3.37 !735
assign (resid 93 and name HB# )
((resid 93 and name HD2#) or (resid 94 and name HN )) 1.8 0.0 3.99 !760
assign (resid 97 and name HB )
((resid 97 and name HG2#) or (resid 97 and name HD1#)) 1.8 0.0 1.73 !789
assign (resid 18 and name HB )
((resid 3 and name HG* ) or (resid 18 and name HG* )) 1.8 0.0 2.34 !865
assign ((resid 109 and name HB# ) or (resid 126 and name HB# ))
((resid 109 and name HG# ) or (resid 109 and name HG# )
or (resid 126 and name HG# )) 1.8 0.0 2.80 !877
assign ((resid 75 and name HD# ) or (resid 75 and name HE# ))
((resid 75 and name HB# ) or (resid 69 and name HB# )) 1.8 0.0 3.54 !980
assign ((resid 3 and name HB ) or (resid 5 and name HB ))
((resid 3 and name HG* ) or (resid 5 and name HG* )
or (resid 5 and name HG* ) or (resid 16 and name HG* )) 1.8 0.0 2.88 !1066
assign ((resid 33 and name HB# ) or (resid 106 and name HB ))
((resid 33 and name HG# ) or (resid 122 and name HB# )) 1.8 0.0 2.95 !1120
assign ((resid 16 and name HB ) or (resid 105 and name HB ))
((resid 13 and name HG2#) or (resid 16 and name HG* )
or (resid 105 and name HG* )) 1.8 0.0 2.18 !1121
assign (resid 84 and name HG# )
((resid 77 and name HG# ) or (resid 86 and name HB# )) 1.8 0.0 3.27 !1146
assign ((resid 81 and name HB ) or (resid 89 and name HB# )
or (resid 105 and name HB ))
((resid 81 and name HN ) or (resid 89 and name HN )
or (resid 105 and name HN )) 1.8 0.0 2.86 !1150
assign (resid 81 and name HB )
((resid 47 and name HN ) or (resid 82 and name HN )) 1.8 0.0 2.78 !1201
assign ((resid 53 and name HB# ) or (resid 95 and name HB# ))
((resid 53 and name HA ) or (resid 95 and name HA )) 1.8 0.0 3.60 !1248
assign (resid 41 and name HE# )
((resid 76 and name HG* ) or (resid 88 and name HD1#)) 1.8 0.0 3.97 !1262
assign ((resid 14 and name HB# ) or (resid 48 and name HB# ))
((resid 15 and name HN ) or (resid 49 and name HN )) 1.8 0.0 4.12 !1278
assign ((resid 82 and name HB# ) or (resid 100 and name HB# ))
((resid 82 and name HG# ) or (resid 100 and name HG# )) 1.8 0.0 3.10 !1287
assign ((resid 34 and name HB# ) or (resid 66 and name HB# ))
((resid 34 and name HA ) or (resid 66 and name HA )) 1.8 0.0 2.95 !1331
assign (resid 17 and name HG# )
((resid 17 and name HB# ) or (resid 17 and name HE# )) 1.8 0.0 2.77 !1385
assign ((resid 34 and name HB# ) or (resid 66 and name HB# ))
((resid 34 and name HD# ) or (resid 66 and name HD# )) 1.8 0.0 4.01 !1389
assign ((resid 65 and name HB ) or (resid 100 and name HB# ))
((resid 65 and name HA ) or (resid 100 and name HA )) 1.8 0.0 3.06 !1395
assign (resid 94 and name HB )
((resid 32 and name HN ) or (resid 94 and name HN )) 1.8 0.0 1.76 !1433
assign ((resid 26 and name HB# ) or (resid 77 and name HB# ))
((resid 26 and name HA ) or (resid 77 and name HA )) 1.8 0.0 3.09 !1444
assign ((resid 77 and name HB# ) or (resid 96 and name HB# ))
((resid 77 and name HG# ) or (resid 96 and name HG# )) 1.8 0.0 2.88 !1446
assign ((resid 94 and name HB ) or (resid 99 and name HB# ))
((resid 94 and name HA ) or (resid 99 and name HD# )) 1.8 0.0 3.50 !1485
assign ((resid 31 and name HB# ) or (resid 45 and name HB# ))
((resid 128 and name HN ) or (resid 46 and name HN )) 1.8 0.0 4.10 !1565
assign (resid 31 and name HB# )
((resid 31 and name HE ) or (resid 32 and name HN )) 1.8 0.0 3.55 !1583
assign ((resid 55 and name HD# ) or (resid 109 and name HD# ))
((resid 55 and name HG# ) or (resid 109 and name HG# )
or (resid 111 and name HG1#)) 1.8 0.0 1.96 !1709
assign (resid 52 and name HG1#)
((resid 52 and name HD1#) or (resid 110 and name HD* )) 1.8 0.0 2.97 !1756
assign (resid 52 and name HG1#)
((resid 52 and name HD1#) or (resid 110 and name HD* )) 1.8 0.0 2.91 !1769
assign (resid 74 and name HB# )
((resid 75 and name HD# ) or (resid 75 and name HE# )
or (resid 75 and name HZ )) 1.8 0.0 3.27 !1782
assign ((resid 52 and name HG1#) or (resid 110 and name HG ))
((resid 52 and name HD1#) or (resid 110 and name HD* )) 1.8 0.0 3.32 !1797
assign ((resid 111 and name HG1#) or (resid 121 and name HG1#))
((resid 111 and name HD1#) or (resid 121 and name HG2#)
or (resid 121 and name HD1#)) 1.8 0.0 2.70 !1844
assign ((resid 26 and name HG# ) or (resid 34 and name HG# ))
((resid 26 and name HD# ) or (resid 34 and name HD# )) 1.8 0.0 3.11 !1875
assign ((resid 26 and name HG# ) or (resid 95 and name HG# ))
((resid 26 and name HB# ) or (resid 95 and name HB# )) 1.8 0.0 2.33 !1877
assign ((resid 28 and name HG1#) or (resid 128 and name HG# ))
(resid 28 and name HG2#) 1.8 0.0 3.35 !1902
assign ((resid 34 and name HG# ) or (resid 99 and name HG# ))
((resid 34 and name HD# ) or (resid 99 and name HD# )) 1.8 0.0 2.77 !1946
assign ((resid 34 and name HG# ) or (resid 99 and name HG# ))
((resid 34 and name HB# ) or (resid 99 and name HB# )) 1.8 0.0 2.15 !1947
assign (resid 54 and name HG1#)
((resid 54 and name HG2#) or (resid 54 and name HD1#)) 1.8 0.0 2.80 !1963
assign (resid 54 and name HG1#)
((resid 54 and name HG2#) or (resid 54 and name HD1#)) 1.8 0.0 2.59 !1966
assign ((resid 61 and name HG ) or (resid 63 and name HG1#))
((resid 61 and name HA ) or (resid 63 and name HA )) 1.8 0.0 3.93 !1988
assign ((resid 61 and name HG ) or (resid 63 and name HG1#))
((resid 61 and name HD* ) or (resid 63 and name HG2#)
or (resid 63 and name HD1#)) 1.8 0.0 3.19 !1991
assign (resid 63 and name HG1#)
((resid 63 and name HG2#) or (resid 63 and name HD1#)) 1.8 0.0 2.14 !2000
assign (resid 97 and name HG1#)
((resid 97 and name HG2#) or (resid 97 and name HD1#)) 1.8 0.0 1.88 !2045
assign (resid 100 and name HG# )
((resid 100 and name HB# ) or (resid 100 and name HD# )) 1.8 0.0 2.16 !2069
assign (resid 80 and name HD* )
((resid 41 and name HE# ) or (resid 86 and name HE# )) 1.8 0.0 3.94 !2086
assign ((resid 48 and name HG# ) or (resid 96 and name HG# ))
((resid 48 and name HA ) or (resid 32 and name HA# )) 1.8 0.0 3.48 !2113
assign ((resid 6 and name HG# ) or (resid 48 and name HG# )
or (resid 51 and name HG# ) or (resid 100 and name HG# ))
((resid 6 and name HB# ) or (resid 48 and name HD# )
or (resid 51 and name HB# ) or (resid 100 and name HB# )
or (resid 100 and name HD# )) 1.8 0.0 2.08 !2143
assign ((resid 48 and name HG# ) or (resid 77 and name HG# )
or (resid 96 and name HG# ))
((resid 48 and name HE# ) or (resid 77 and name HE# )
or (resid 96 and name HE# )) 1.8 0.0 4.36 !2145
assign ((resid 89 and name HG# ) or (resid 89 and name HG# )
or (resid 109 and name HG# ))
((resid 89 and name HA ) or (resid 109 and name HA )) 1.8 0.0 4.05 !2152
assign (resid 117 and name HD* )
((resid 51 and name HN ) or (resid 117 and name HN )) 1.8 0.0 5.61 !2159
assign ((resid 77 and name HG# ) or (resid 126 and name HG# ))
((resid 77 and name HA ) or (resid 102 and name HA )) 1.8 0.0 4.08 !2235
assign ((resid 36 and name HB ) or (resid 91 and name HB ))
((resid 36 and name HG2#) or (resid 91 and name HG2#)) 1.8 0.0 2.16 !2628
assign ((resid 18 and name HG* ) or (resid 104 and name HG* ))
((resid 18 and name HB ) or (resid 127 and name HB )) 1.8 0.0 4.17 !2661
assign (resid 39 and name HB# )
((resid 52 and name HD1#) or (resid 110 and name HD* )) 1.8 0.0 5.12 !2773
assign ((resid 36 and name HG2#) or (resid 91 and name HG2#)
or (resid 123 and name HG2#))
((resid 36 and name HB ) or (resid 91 and name HB )
or (resid 123 and name HB )) 1.8 0.0 3.22 !2791
assign ((resid 36 and name HG2#) or (resid 91 and name HG2#))
(resid 89 and name HE# ) 1.8 0.0 4.05 !2792
assign ((resid 116 and name HG* ) or (resid 118 and name HB# ))
((resid 118 and name HN ) or (resid 13 and name HN )) 1.8 0.0 4.07 !2879
assign ((resid 16 and name HG* ) or (resid 116 and name HG* ))
((resid 16 and name HB ) or (resid 116 and name HB )) 1.8 0.0 3.35 !2886
assign (resid 50 and name HB# )
((resid 73 and name HB# ) or (resid 78 and name HB# )) 1.8 0.0 4.60 !2975
assign (resid 43 and name HB# )
((resid 80 and name HG ) or (resid 82 and name HB# )
or (resid 82 and name HG# )) 1.8 0.0 3.50 !3089
assign ((resid 121 and name HG2#) or (resid 127 and name HG2#))
((resid 121 and name HB ) or (resid 127 and name HG1#)) 1.8 0.0 2.92 !3151
assign ((resid 5 and name HG* ) or (resid 13 and name HG2#))
((resid 5 and name HB ) or (resid 13 and name HB )) 1.8 0.0 3.49 !3185
assign ((resid 68 and name HG2#) or (resid 127 and name HG2#))
((resid 92 and name HB# ) or (resid 101 and name HB# )) 1.8 0.0 5.39 !3200
assign (resid 98 and name HB# )
((resid 31 and name HB# ) or (resid 31 and name HG# )) 1.8 0.0 3.07 !3244
assign (resid 88 and name HG2#)
((resid 38 and name HA ) or (resid 40 and name HA )) 1.8 0.0 4.00 !3499
assign (resid 88 and name HD1#)
((resid 88 and name HB ) or (resid 88 and name HG1#)) 1.8 0.0 2.03 !3598
assign ((resid 111 and name HD1#) or (resid 121 and name HD1#))
((resid 111 and name HB ) or (resid 121 and name HB )) 1.8 0.0 2.62 !3632
assign (resid 127 and name HD1#)
((resid 104 and name HA ) or (resid 127 and name HA )) 1.8 0.0 3.30 !3660
assign (resid 12 and name HA )
((resid 12 and name HB# ) or (resid 12 and name HG# )) 1.8 0.0 2.07 !3748
assign ((resid 29 and name HA ) or (resid 65 and name HA ))
((resid 29 and name HG2#) or (resid 65 and name HG* )) 1.8 0.0 2.90 !3754
assign (resid 52 and name HD1#)
((resid 52 and name HB ) or (resid 52 and name HG1#)) 1.8 0.0 2.77 !3769
assign ((resid 104 and name HA ) or (resid 127 and name HA ))
((resid 105 and name HN ) or (resid 128 and name HN )) 1.8 0.0 1.86 !3776
assign ((resid 104 and name HA ) or (resid 127 and name HA ))
((resid 104 and name HG* ) or (resid 127 and name HG2#)) 1.8 0.0 2.83 !3778
assign ((resid 104 and name HA ) or (resid 127 and name HA ))
(resid 104 and name HG* ) 1.8 0.0 2.48 !3781
assign ((resid 29 and name HA ) or (resid 65 and name HA ))
((resid 29 and name HB ) or (resid 65 and name HB )) 1.8 0.0 2.94 !3793
assign ((resid 29 and name HA ) or (resid 65 and name HA ))
((resid 29 and name HG2#) or (resid 65 and name HG* )) 1.8 0.0 2.90 !3794
assign (resid 28 and name HA )
((resid 28 and name HB ) or (resid 126 and name HB# )) 1.8 0.0 2.37 !3828
assign (resid 94 and name HA )
((resid 94 and name HB ) or (resid 95 and name HG# )) 1.8 0.0 3.28 !3848
assign (resid 28 and name HD1#)
((resid 26 and name HB# ) or (resid 26 and name HG# )) 1.8 0.0 4.11 !3887
assign (resid 28 and name HD1#)
((resid 26 and name HB# ) or (resid 126 and name HB# )) 1.8 0.0 2.86 !3888
assign (resid 52 and name HA )
((resid 52 and name HB ) or (resid 52 and name HG1#)) 1.8 0.0 1.84 !3972
assign (resid 82 and name HA )
((resid 82 and name HB# ) or (resid 82 and name HG# )) 1.8 0.0 1.86 !4007
assign (resid 31 and name HA )
((resid 31 and name HB# ) or (resid 31 and name HG# )) 1.8 0.0 1.99 !4024
assign (resid 73 and name HA )
((resid 73 and name HB# ) or (resid 78 and name HB# )) 1.8 0.0 1.89 !4124
assign ((resid 30 and name HA ) or (resid 109 and name HA ))
((resid 30 and name HN ) or (resid 110 and name HN )) 1.8 0.0 1.75 !4200
assign ((resid 1 and name HA ) or (resid 30 and name HA ))
((resid 1 and name HB# ) or (resid 30 and name HB# )) 1.8 0.0 2.40 !4221
assign ((resid 30 and name HA ) or (resid 109 and name HA ))
((resid 31 and name HN ) or (resid 109 and name HN )) 1.8 0.0 1.91 !4224
assign ((resid 55 and name HA ) or (resid 109 and name HA ))
((resid 55 and name HG# ) or (resid 109 and name HG# )) 1.8 0.0 2.63 !4226
assign ((resid 8 and name HA ) or (resid 17 and name HA ))
((resid 8 and name HN ) or (resid 18 and name HN )) 1.8 0.0 2.30 !4275
assign ((resid 38 and name HA ) or (resid 40 and name HA ))
((resid 39 and name HN ) or (resid 41 and name HN )) 1.8 0.0 1.76 !4306
assign (resid 40 and name HA )
((resid 40 and name HB# ) or (resid 40 and name HG )) 1.8 0.0 1.74 !4310
assign (resid 78 and name HA )
((resid 78 and name HN ) or (resid 80 and name HN )) 1.8 0.0 1.96 !4386
assign (resid 50 and name HA )
((resid 50 and name HB# ) or (resid 117 and name HD* )) 1.8 0.0 1.99 !4417
assign (resid 71 and name HA )
((resid 71 and name HN ) or (resid 72 and name HN )) 1.8 0.0 1.34 !4455
assign (resid 98 and name HA )
((resid 61 and name HD* ) or (resid 63 and name HG2#)
or (resid 63 and name HD1#)) 1.8 0.0 3.59 !4500
assign ((resid 34 and name HD# ) or (resid 99 and name HD# ))
((resid 34 and name HG# ) or (resid 99 and name HG# )) 1.8 0.0 2.95 !4512
assign (resid 34 and name HD# )
((resid 33 and name HB# ) or (resid 34 and name HG# )) 1.8 0.0 2.12 !4515
assign ((resid 34 and name HD# ) or (resid 66 and name HD# ))
((resid 34 and name HG# ) or (resid 66 and name HG# )) 1.8 0.0 2.68 !4516
assign (resid 98 and name HA )
((resid 97 and name HG1#) or (resid 98 and name HB# )) 1.8 0.0 1.78 !4528
assign ((resid 34 and name HD# ) or (resid 99 and name HD# ))
((resid 34 and name HG# ) or (resid 99 and name HG# )) 1.8 0.0 2.94 !4563
assign (resid 99 and name HD# )
((resid 58 and name HD* ) or (resid 127 and name HD1#)) 1.8 0.0 3.84 !4565
assign (resid 99 and name HD# )
((resid 97 and name HB ) or (resid 99 and name HB# )) 1.8 0.0 3.38 !4579
set echo=true end
set wrnlev=5 end
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