NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type | subtype | subsubtype |
|
|
4274 |
1f2h   |
4636 | cing | recoord | dress | 1-original | 2 | XPLOR/CNS | distance | NOE | simple |
! intra_sel.awk Range: 6 - 155 assign (resid 95 and name HD1# ) (resid 129 and name HD# ) 4.0 2.2 2.0 ! A.708 at 3.64e+05 assign (resid 73 and name HG# ) (resid 64 and name HD1# ) 4.0 2.2 2.0 ! A.709 at 3.28e+05 assign (resid 19 and name HG# ) (resid 116 and name HD# ) 4.0 2.2 2.0 ! A.428 at 1.78e+06 assign (resid 11 and name HH2 ) (resid 77 and name HB# ) 4.0 2.2 1.5 ! A.211 at 3.60e+04 assign (resid 11 and name HH2 ) (resid 136 and name HA ) 4.0 2.2 1.0 ! A.210 at 2.54e+04 assign (resid 11 and name HE3 ) (resid 136 and name HB# ) 4.0 2.2 1.5 ! A.61 at 4.63e+04 assign (resid 11 and name HZ2 ) (resid 136 and name HA ) 4.0 2.2 1.0 ! A.138 at 6.43e+04 assign (resid 11 and name HH2 ) (resid 139 and name HD* ) 3.0 1.2 0.8 ! A.196 at 8.90e+04 assign (resid 11 and name HZ2 ) (resid 139 and name HB ) 4.0 2.2 1.0 ! A.215 at 4.48e+04 assign (resid 11 and name HE3 ) (resid 77 and name HB# ) 4.0 2.2 1.5 ! A255 at 3.95e+04 assign (resid 17 and name HD* ) (resid 90 and name HD# ) 3.0 1.2 0.8 ! A.166 at 3.33e+05 assign (resid 18 and name HD# ) (resid 72 and name HD# ) 4.0 2.2 1.5 ! A.66 at 5.00e+04 assign (resid 49 and name HD* ) (resid 86 and name HD# ) 3.0 1.2 0.8 ! A.14 at 1.17e+05 assign (resid 59 and name HD* ) (resid 86 and name HD# ) 3.0 1.2 0.8 ! A.16 at 1.08e+05 assign (resid 65 and name HD2 ) (resid 72 and name HG2# ) 4.0 2.2 1.5 ! A.149 at 4.59e+04 assign (resid 75 and name HB# ) (resid 86 and name HE# ) 3.0 1.2 0.3 ! A.172 at 9.31e+04 assign (resid 77 and name HE# ) (resid 86 and name HE# ) 4.0 2.2 1.0 ! A.157 at 4.83e+04 assign (resid 77 and name HZ ) (resid 86 and name HE# ) 4.0 2.2 1.0 ! A.124 at 5.38e+04 assign (resid 77 and name HZ ) (resid 86 and name HD# ) 4.0 2.2 1.0 ! A.180 at 5.82e+04 assign (resid 86 and name HE# ) (resid 139 and name HG1# ) 4.0 2.2 1.5 ! A.197 at 2.39e+05 assign (resid 90 and name HE# ) (resid 118 and name HG ) 3.0 1.2 0.3 ! A.161 at 3.68e+05 assign (resid 90 and name HE# ) (resid 118 and name HD* ) 4.0 2.2 1.5 ! A.125 at 6.41e+04 assign (resid 90 and name HD# ) (resid 128 and name HB# ) 4.0 2.2 1.5 ! A.82 at 7.77e+04 assign (resid 11 and name HZ2 ) (resid 77 and name HB# ) 4.0 2.2 1.5 ! A.2215 at 5.55e+04 assign (resid 11 and name HZ2 ) (resid 136 and name HB# ) 4.0 2.2 1.5 ! A.3993 at 8.28e+04 assign (resid 11 and name HZ2 ) (resid 136 and name HD* ) 3.0 1.2 0.8 ! A.2773 at 1.61e+05 assign (resid 11 and name HH2 ) (resid 136 and name HD* ) 3.0 1.2 0.8 ! A.2779 at 1.59e+05 assign (resid 11 and name HH2 ) (resid 139 and name HG2# ) 3.0 1.2 0.8 ! A.2209 at -1.96e+05 assign (resid 11 and name HH2 ) (resid 139 and name HB ) 4.0 2.2 2.0 ! A.4042 at 5.68e+04 assign (resid 11 and name HZ2 ) (resid 140 and name HD* ) 4.0 2.2 1.5 ! A.1988 at 8.06e+04 assign (resid 11 and name HH2 ) (resid 140 and name HD* ) 4.0 2.2 1.5 ! A.1987 at 7.28e+04 assign (resid 12 and name HA ) (resid 77 and name HB# ) 4.0 2.2 2.0 ! A.3365 at -5.73e+04 assign (resid 12 and name HG* ) (resid 78 and name HA ) 4.0 2.2 1.5 ! A.3776 at -3.43e+05 assign (resid 12 and name HG* ) (resid 143 and name HG# ) 3.0 1.2 1.3 ! A.3777 at -4.12e+05 assign (resid 12 and name HG* ) (resid 144 and name HD# ) 3.0 1.2 1.3 ! A.2892 at -3.27e+05 assign (resid 13 and name HA# ) (resid 139 and name HG2# ) 3.0 1.2 0.8 ! A.3466 at -2.48e+05 assign (resid 13 and name HA# ) (resid 140 and name HA ) 4.0 2.2 2.0 ! A.4043 at -5.38e+04 assign (resid 14 and name HB# ) (resid 76 and name HB# ) 4.0 2.2 1.5 ! A.3461 at -7.43e+04 assign (resid 14 and name HB# ) (resid 76 and name HA ) 4.0 2.2 1.0 ! A.2191 at -7.92e+04 assign (resid 14 and name HA ) (resid 76 and name HB# ) 4.0 2.2 2.0 ! A.3144 at -5.90e+04 assign (resid 14 and name HA ) (resid 76 and name HA ) 4.0 2.2 1.0 ! A.164 at -1.45e+05 assign (resid 14 and name HA ) (resid 77 and name HD# ) 4.0 2.2 1.0 ! A.157 at -8.65e+04 assign (resid 14 and name HA ) (resid 77 and name HE# ) 4.0 2.2 2.0 ! A.3509 at -7.30e+04 assign (resid 14 and name HA ) (resid 139 and name HG2# ) 4.0 2.2 1.5 ! A.3473 at -8.57e+04 assign (resid 14 and name HB# ) (resid 142 and name HB# ) 4.0 2.2 1.5 ! A.3465 at -7.54e+04 assign (resid 14 and name HB# ) (resid 143 and name HA ) 4.0 2.2 5.0 ! A.3459 at -6.58e+04 assign (resid 14 and name HB# ) (resid 144 and name HB# ) 4.0 2.2 1.5 ! A.3462 at -1.18e+05 assign (resid 14 and name HB# ) (resid 144 and name HA ) 3.0 1.2 0.8 ! A.3927 at -1.65e+05 assign (resid 15 and name HA ) (resid 75 and name HD* ) 4.0 2.2 1.5 ! A.3220 at -8.25e+04 assign (resid 15 and name HB# ) (resid 75 and name HG ) 3.0 1.2 0.8 ! A.2902 at 5.66e+05 assign (resid 15 and name HB# ) (resid 77 and name HZ ) 3.0 1.2 0.8 ! A.389 at 1.57e+05 assign (resid 15 and name HB# ) (resid 77 and name HD# ) 4.0 2.2 2.0 ! A.391 at 1.08e+05 assign (resid 15 and name HB# ) (resid 77 and name HE# ) 3.0 1.2 0.8 ! A.390 at 3.95e+05 assign (resid 15 and name HB# ) (resid 86 and name HE# ) 4.0 2.2 1.5 ! A.392 at 1.01e+05 assign (resid 15 and name HB# ) (resid 120 and name HB# ) 2.5 0.7 1.2 ! A.3067 at -9.54e+06 assign (resid 15 and name HA ) (resid 139 and name HG2# ) 4.0 2.2 2.0 ! A.2213 at -5.12e+04 assign (resid 15 and name HB# ) (resid 139 and name HG2# ) 3.0 1.2 1.3 ! A.2711 at -2.56e+05 assign (resid 15 and name HB# ) (resid 139 and name HA ) 3.0 1.2 0.8 ! A.2864 at -3.38e+05 assign (resid 15 and name HB# ) (resid 139 and name HB ) 4.0 2.2 2.0 ! A.2865 at 6.01e+04 assign (resid 15 and name HB# ) (resid 139 and name HD# ) 3.0 1.2 1.3 ! A.2869 at -3.42e+05 assign (resid 15 and name HB# ) (resid 139 and name HG1# ) 3.0 1.2 1.3 ! A.456 at 1.08e+06 assign (resid 15 and name HA ) (resid 139 and name HD1# ) 4.0 2.2 2.0 ! A.4074 at -5.74e+04 assign (resid 16 and name HE# ) (resid 65 and name HB# ) 4.0 2.2 2.0 ! A.238 at 5.79e+04 assign (resid 16 and name HA ) (resid 72 and name HG2# ) 4.0 2.2 1.5 ! A.1033 at -1.01e+05 assign (resid 16 and name HE# ) (resid 72 and name HG2# ) 3.0 1.2 1.3 ! A.3467 at -3.10e+05 assign (resid 16 and name HB1 ) (resid 72 and name HG2# ) 3.0 1.2 0.8 ! A.1039 at -2.12e+05 assign (resid 16 and name HB2 ) (resid 72 and name HG2# ) 4.0 2.2 1.5 ! A.2216 at 7.56e+04 assign (resid 16 and name HD# ) (resid 72 and name HG2# ) 3.0 1.2 0.8 ! A.3954 at -3.27e+05 assign (resid 16 and name HA ) (resid 72 and name HD# ) 4.0 2.2 2.0 ! A.2201 at -6.85e+04 assign (resid 16 and name HA ) (resid 74 and name HA ) 3.0 1.2 0.3 ! A.92 at -1.90e+05 assign (resid 16 and name HA ) (resid 74 and name HB1 ) 4.0 2.2 2.0 ! A.2199 at -6.13e+04 assign (resid 16 and name HE# ) (resid 74 and name HB2 ) 4.0 2.2 2.0 ! A.1399 at 6.60e+04 assign (resid 16 and name HE# ) (resid 74 and name HB1 ) 4.0 2.2 2.0 ! A.3289 at 5.77e+04 assign (resid 16 and name HB2 ) (resid 119 and name HB# ) 4.0 2.2 1.5 ! A.3890 at 1.40e+05 assign (resid 16 and name HD# ) (resid 119 and name HB# ) 4.0 2.2 2.0 ! A.1771 at 6.37e+04 assign (resid 16 and name HB2 ) (resid 119 and name HG# ) 3.0 1.2 0.8 ! A.3646 at 2.01e+05 assign (resid 17 and name HA ) (resid 72 and name HG# ) 4.0 2.2 2.0 ! A.4093 at 5.92e+04 assign (resid 17 and name HD2# ) (resid 75 and name HD* ) 3.0 1.2 1.3 ! A.3674 at 2.05e+06 assign (resid 17 and name HD2# ) (resid 75 and name HG ) 3.0 1.2 0.8 ! A.2252 at 4.54e+05 assign (resid 17 and name HD2# ) (resid 75 and name HA ) 4.0 2.2 1.5 ! A.2251 at 9.36e+04 assign (resid 17 and name HD1# ) (resid 75 and name HD* ) 3.0 1.2 1.3 ! A.3935 at 6.92e+05 assign (resid 17 and name HD2# ) (resid 77 and name HE# ) 4.0 2.2 2.0 ! A.1100 at 5.85e+04 assign (resid 17 and name HD2# ) (resid 77 and name HZ ) 4.0 2.2 1.5 ! A.1097 at 1.41e+05 assign (resid 17 and name HD2# ) (resid 86 and name HZ ) 4.0 2.2 1.5 ! A.1099 at 1.31e+05 assign (resid 17 and name HD2# ) (resid 86 and name HE# ) 3.0 1.2 1.3 ! A.1098 at 1.53e+05 assign (resid 17 and name HD1# ) (resid 86 and name HZ ) 4.0 2.2 1.5 ! A.2244 at 1.11e+05 assign (resid 17 and name HG ) (resid 86 and name HZ ) 4.0 2.2 1.0 ! A.3521 at 1.30e+05 assign (resid 17 and name HG ) (resid 86 and name HE# ) 4.0 2.2 1.5 ! A.3522 at 1.39e+05 assign (resid 17 and name HG ) (resid 90 and name HE# ) 3.0 1.2 0.3 ! A.450 at -2.57e+05 assign (resid 17 and name HD1# ) (resid 90 and name HE# ) 4.0 2.2 2.0 ! A.3956 at 5.61e+04 assign (resid 17 and name HB1 ) (resid 116 and name HB# ) 4.0 2.2 1.5 ! A.1683 at 8.71e+04 assign (resid 17 and name HB1 ) (resid 116 and name HA ) 4.0 2.2 1.0 ! A.1677 at -9.08e+04 assign (resid 17 and name HG ) (resid 116 and name HA ) 4.0 2.2 1.0 ! A.2816 at 8.59e+04 assign (resid 17 and name HA ) (resid 118 and name HA ) 3.0 1.2 0.3 ! A.461 at -2.23e+05 assign (resid 17 and name HA ) (resid 118 and name HD* ) 3.0 1.2 1.3 ! A.2225 at -3.65e+05 assign (resid 17 and name HD2# ) (resid 118 and name HD* ) 3.0 1.2 1.3 ! A.3678 at 7.15e+05 assign (resid 17 and name HG ) (resid 118 and name HA ) 4.0 2.2 1.0 ! A.3026 at 1.22e+05 assign (resid 17 and name HG ) (resid 118 and name HD* ) 3.0 1.2 0.8 ! A.2817 at 1.58e+05 assign (resid 17 and name HD1# ) (resid 120 and name HB# ) 4.0 2.2 1.5 ! A.3665 at -6.64e+05 assign (resid 18 and name HB1 ) (resid 70 and name HB# ) 4.0 2.2 2.0 ! A.3792 at 5.26e+04 assign (resid 18 and name HD# ) (resid 72 and name HG2# ) 4.0 2.2 1.5 ! A.1037 at -8.20e+04 assign (resid 18 and name HE# ) (resid 72 and name HG2# ) 4.0 2.2 2.0 ! A.1036 at -1.42e+05 assign (resid 18 and name HA ) (resid 72 and name HG2# ) 4.0 2.2 1.5 ! A.1989 at -9.16e+04 assign (resid 18 and name HE# ) (resid 72 and name HD# ) 4.0 2.2 2.0 ! A.2730 at -2.65e+05 assign (resid 18 and name HD# ) (resid 72 and name HD# ) 4.0 2.2 2.0 ! A.2731 at -1.05e+05 assign (resid 18 and name HA ) (resid 72 and name HA ) 3.0 1.2 0.3 ! A.1107 at -1.83e+05 assign (resid 18 and name HA ) (resid 72 and name HB# ) 4.0 2.2 2.0 ! A.2269 at -5.37e+04 assign (resid 18 and name HD# ) (resid 72 and name HG1# ) 4.0 2.2 1.5 ! A.3233 at 9.22e+04 assign (resid 18 and name HB2 ) (resid 72 and name HG1# ) 4.0 2.2 2.0 ! A.3235 at 5.49e+04 assign (resid 18 and name HB1 ) (resid 117 and name HB# ) 3.0 1.2 0.8 ! A.279 at 1.54e+05 assign (resid 18 and name HB1 ) (resid 117 and name HG# ) 4.0 2.2 1.5 ! A.3793 at 6.54e+04 assign (resid 18 and name HB2 ) (resid 117 and name HB# ) 3.0 1.2 0.8 ! A.2274 at 1.62e+05 assign (resid 18 and name HB2 ) (resid 117 and name HG# ) 4.0 2.2 1.5 ! A.1721 at 5.10e+04 assign (resid 18 and name HD# ) (resid 117 and name HB# ) 4.0 2.2 2.0 ! A.283 at 6.09e+04 assign (resid 18 and name HE# ) (resid 119 and name HD# ) 3.0 1.2 0.8 ! A.1780 at 1.98e+05 assign (resid 18 and name HZ ) (resid 119 and name HD# ) 3.0 1.2 0.8 ! A.4073 at 1.81e+05 assign (resid 18 and name HE# ) (resid 119 and name HB# ) 4.0 2.2 2.0 ! A.1770 at 9.75e+04 assign (resid 18 and name HE# ) (resid 119 and name HG# ) 4.0 2.2 2.0 ! A.3526 at 6.96e+04 assign (resid 19 and name HG* ) (resid 45 and name HD* ) 2.5 0.7 1.2 ! A.4046 at -1.52e+07 assign (resid 19 and name HB ) (resid 71 and name HB# ) 3.0 1.2 0.3 ! A.2285 at 1.55e+05 assign (resid 19 and name HG# ) (resid 71 and name HB# ) 4.0 2.2 1.5 ! A.3334 at 1.17e+05 assign (resid 19 and name HG* ) (resid 71 and name HD2# ) 3.0 1.2 1.3 ! A.2298 at -6.44e+05 assign (resid 19 and name HG* ) (resid 71 and name HA ) 4.0 2.2 1.5 ! A.2291 at -1.17e+05 assign (resid 19 and name HA ) (resid 71 and name HD2# ) 4.0 2.2 1.5 ! A.2276 at -7.93e+04 assign (resid 19 and name HB ) (resid 71 and name HD1# ) 4.0 2.2 2.0 ! A.2822 at 6.57e+04 assign (resid 19 and name HG* ) (resid 114 and name HA ) 3.0 1.2 1.3 ! A.3900 at -2.74e+05 assign (resid 19 and name HG* ) (resid 114 and name HD* ) 2.5 0.7 1.2 ! A.3853 at 7.21e+06 assign (resid 19 and name HA ) (resid 116 and name HB# ) 4.0 2.2 2.0 ! A.3582 at 5.61e+04 assign (resid 19 and name HG* ) (resid 116 and name HA ) 4.0 2.2 1.5 ! A.2313 at -7.51e+04 assign (resid 19 and name HA ) (resid 116 and name HD# ) 3.0 1.2 1.3 ! A.147 at -2.88e+05 assign (resid 19 and name HA ) (resid 116 and name HA ) 3.0 1.2 0.3 ! A.16 at -1.98e+05 assign (resid 19 and name HA ) (resid 116 and name HD2# ) 3.0 1.2 0.8 ! A.1026 at -3.87e+05 assign (resid 19 and name HG* ) (resid 116 and name HG ) 3.0 1.2 0.8 ! A.4114 at 2.05e+05 assign (resid 20 and name HB# ) (resid 70 and name HA ) 3.0 1.2 0.3 ! A.4059 at -1.88e+05 assign (resid 20 and name HA ) (resid 114 and name HD* ) 3.0 1.2 0.8 ! A.2080 at -3.70e+05 assign (resid 21 and name HA ) (resid 112 and name HG2# ) 3.0 1.2 0.8 ! A.3725 at -2.97e+05 assign (resid 21 and name HB1 ) (resid 112 and name HA ) 4.0 2.2 1.0 ! A.3742 at -1.26e+05 assign (resid 21 and name HB2 ) (resid 114 and name HD* ) 3.0 1.2 0.8 ! A.2337 at -3.20e+05 assign (resid 21 and name HB1 ) (resid 114 and name HD* ) 3.0 1.2 0.8 ! A.2335 at -2.66e+05 assign (resid 21 and name HA ) (resid 114 and name HB# ) 4.0 2.2 1.0 ! A.2330 at -7.96e+04 assign (resid 21 and name HA ) (resid 114 and name HA ) 3.0 1.2 0.3 ! A.93 at -3.06e+05 assign (resid 21 and name HA ) (resid 114 and name HD* ) 3.0 1.2 0.8 ! A.2328 at -5.00e+05 assign (resid 21 and name HB1 ) (resid 114 and name HA ) 4.0 2.2 1.0 ! A.3909 at -5.06e+04 assign (resid 22 and name HB# ) (resid 113 and name HB# ) 3.0 1.2 0.8 ! A.118 at -2.32e+05 assign (resid 23 and name HD* ) (resid 112 and name HG1# ) 3.0 1.2 1.3 ! A.1626 at -2.54e+05 assign (resid 23 and name HB# ) (resid 113 and name HD# ) 4.0 2.2 1.0 ! A.2027 at -8.73e+04 assign (resid 23 and name HD* ) (resid 113 and name HD2 ) 3.0 1.2 0.8 ! A.2356 at 2.38e+05 assign (resid 28 and name HB# ) (resid 71 and name HD1# ) 4.0 2.2 2.0 ! A.1933 at 4.69e+04 assign (resid 29 and name HA ) (resid 71 and name HD2# ) 3.0 1.2 0.8 ! A.1307 at -2.87e+05 assign (resid 29 and name HB# ) (resid 71 and name HD2# ) 4.0 2.2 1.5 ! A.2482 at -7.67e+04 assign (resid 32 and name HD# ) (resid 38 and name HA ) 3.0 1.2 0.8 ! A.3967 at -1.94e+05 assign (resid 32 and name HD# ) (resid 41 and name HG1# ) 3.0 1.2 0.8 ! A.647 at -4.54e+05 assign (resid 32 and name HD# ) (resid 41 and name HB ) 3.0 1.2 0.8 ! A.286 at 1.55e+05 assign (resid 32 and name HD# ) (resid 41 and name HG2# ) 3.0 1.2 0.8 ! A.654 at 1.96e+05 assign (resid 32 and name HB1 ) (resid 66 and name HD# ) 4.0 2.2 2.0 ! A.4056 at 6.83e+04 assign (resid 32 and name HD# ) (resid 66 and name HD# ) 4.0 2.2 1.5 ! A.2707 at 1.22e+05 assign (resid 32 and name HB2 ) (resid 71 and name HB# ) 4.0 2.2 2.0 ! A.3977 at 5.42e+04 assign (resid 32 and name HB1 ) (resid 71 and name HD# ) 4.0 2.2 1.5 ! A.2039 at 1.15e+05 assign (resid 32 and name HB2 ) (resid 71 and name HD# ) 4.0 2.2 1.5 ! A.228 at 1.13e+05 assign (resid 32 and name HD# ) (resid 71 and name HD1# ) 4.0 2.2 2.0 ! A.3087 at 8.38e+04 assign (resid 32 and name HB2 ) (resid 71 and name HD1# ) 4.0 2.2 1.5 ! A.2255 at 1.11e+05 assign (resid 32 and name HA ) (resid 71 and name HD1# ) 4.0 2.2 1.5 ! A.2253 at 1.02e+05 assign (resid 32 and name HB1 ) (resid 71 and name HD1# ) 4.0 2.2 1.5 ! A.2256 at 7.52e+04 assign (resid 32 and name HB1 ) (resid 71 and name HD2# ) 3.0 1.2 0.8 ! A.980 at 2.40e+05 assign (resid 32 and name HB2 ) (resid 71 and name HD2# ) 3.0 1.2 0.8 ! A.981 at 3.05e+05 assign (resid 32 and name HA ) (resid 71 and name HD2# ) 4.0 2.2 1.5 ! A.3090 at 1.42e+05 assign (resid 32 and name HD# ) (resid 71 and name HD2# ) 3.0 1.2 1.3 ! A.454 at 2.32e+05 assign (resid 33 and name HB# ) (resid 66 and name HD# ) 3.0 1.2 1.3 ! A.3966 at 1.51e+05 assign (resid 33 and name HA ) (resid 66 and name HD# ) 4.0 2.2 1.5 ! A.488 at -9.66e+04 assign (resid 38 and name HA ) (resid 64 and name HG12 ) 4.0 2.2 2.0 ! A.4033 at -4.07e+04 assign (resid 38 and name HD# ) (resid 64 and name HG11 ) 4.0 2.2 2.0 ! A.4035 at 5.96e+04 assign (resid 38 and name HE# ) (resid 155 and name HD2# ) 4.0 2.2 1.5 ! A.3574 at 1.47e+05 assign (resid 39 and name HG* ) (resid 155 and name HD* ) 3.0 1.2 1.3 ! A.2559 at 1.03e+06 assign (resid 39 and name HG* ) (resid 159 and name HD1# ) 2.5 0.7 1.2 ! A.3774 at -5.54e+06 assign (resid 39 and name HG* ) (resid 159 and name HB# ) 3.0 1.2 1.3 ! A.621 at -2.29e+05 assign (resid 41 and name HG1# ) (resid 64 and name HG11 ) 3.0 1.2 0.8 ! A.4054 at -1.72e+05 assign (resid 41 and name HG1# ) (resid 64 and name HG2# ) 3.0 1.2 1.3 ! A.4055 at -1.10e+06 assign (resid 41 and name HG1# ) (resid 71 and name HD1# ) 3.0 1.2 1.3 ! A.650 at -6.39e+05 assign (resid 41 and name HB ) (resid 71 and name HD* ) 4.0 2.2 2.0 ! A.3791 at 5.02e+04 assign (resid 41 and name HG1# ) (resid 71 and name HD* ) 3.0 1.2 1.3 ! A.3732 at 5.62e+05 assign (resid 41 and name HB ) (resid 71 and name HD2# ) 4.0 2.2 2.0 ! A.3790 at 5.36e+04 assign (resid 42 and name HA ) (resid 61 and name HE# ) 3.0 1.2 0.8 ! A.2951 at -2.51e+05 assign (resid 42 and name HD# ) (resid 61 and name HE# ) 4.0 2.2 2.0 ! A.1818 at -4.63e+04 assign (resid 42 and name HE# ) (resid 61 and name HE# ) 3.0 1.2 1.3 ! A.1817 at -4.29e+05 assign (resid 42 and name HB# ) (resid 61 and name HE# ) 4.0 2.2 2.0 ! A.3507 at -1.22e+05 assign (resid 42 and name HE# ) (resid 64 and name HD1# ) 3.0 1.2 0.8 ! A.445 at -3.51e+05 assign (resid 42 and name HE# ) (resid 64 and name HG2# ) 4.0 2.2 1.5 ! A.137 at -8.93e+04 assign (resid 42 and name HE# ) (resid 64 and name HB ) 4.0 2.2 2.0 ! A.3547 at 5.95e+04 assign (resid 42 and name HB# ) (resid 64 and name HD# ) 4.0 2.2 2.0 ! A.673 at 8.28e+04 assign (resid 42 and name HA ) (resid 64 and name HD# ) 3.0 1.2 0.8 ! A.669 at -2.13e+05 assign (resid 42 and name HD# ) (resid 64 and name HD# ) 3.0 1.2 1.3 ! A.3469 at -2.91e+05 assign (resid 42 and name HE# ) (resid 64 and name HD# ) 3.0 1.2 1.3 ! A.3468 at -2.90e+05 assign (resid 42 and name HD# ) (resid 152 and name HD1# ) 4.0 2.2 1.5 ! A.3629 at 8.08e+04 assign (resid 42 and name HE# ) (resid 155 and name HD2# ) 3.0 1.2 0.8 ! A.2107 at 1.89e+05 assign (resid 42 and name HB# ) (resid 155 and name HD2# ) 3.0 1.2 1.3 ! A.2691 at 2.86e+05 assign (resid 42 and name HB# ) (resid 155 and name HD1# ) 4.0 2.2 1.5 ! A.1943 at 1.45e+05 assign (resid 42 and name HD# ) (resid 155 and name HD2# ) 3.0 1.2 0.8 ! A.2108 at 1.71e+05 assign (resid 42 and name HE# ) (resid 156 and name HA ) 3.0 1.2 0.3 ! A.127 at -2.02e+05 assign (resid 42 and name HD# ) (resid 156 and name HA ) 4.0 2.2 2.0 ! A.1328 at -6.91e+04 assign (resid 42 and name HE# ) (resid 156 and name HB# ) 4.0 2.2 2.0 ! A.3655 at 5.65e+04 assign (resid 42 and name HD# ) (resid 159 and name HD2# ) 4.0 2.2 2.0 ! A.2986 at 1.46e+05 assign (resid 42 and name HE# ) (resid 159 and name HD2# ) 4.0 2.2 2.0 ! A.2987 at 1.33e+05 assign (resid 42 and name HB# ) (resid 159 and name HD2# ) 3.0 1.2 1.3 ! A.3632 at 1.98e+05 assign (resid 42 and name HD# ) (resid 159 and name HD1# ) 4.0 2.2 1.5 ! A.3870 at 1.30e+05 assign (resid 42 and name HB# ) (resid 159 and name HD1# ) 3.0 1.2 1.3 ! A.3312 at 2.49e+05 assign (resid 43 and name HD# ) (resid 159 and name HD1# ) 3.0 1.2 1.3 ! A.2840 at 4.30e+05 assign (resid 43 and name HD# ) (resid 159 and name HD2# ) 3.0 1.2 1.3 ! A.2841 at 4.57e+05 assign (resid 43 and name HA ) (resid 159 and name HD2# ) 4.0 2.2 1.5 ! A.677 at -9.59e+04 assign (resid 43 and name HB# ) (resid 159 and name HD1# ) 3.0 1.2 0.8 ! A.3868 at 2.04e+05 assign (resid 45 and name HB1 ) (resid 61 and name HE# ) 3.0 1.2 0.8 ! A.3387 at -4.47e+05 assign (resid 45 and name HD* ) (resid 61 and name HE# ) 3.0 1.2 1.3 ! A.2959 at -9.64e+05 assign (resid 45 and name HD* ) (resid 64 and name HG2# ) 3.0 1.2 1.3 ! A.3780 at -7.75e+05 assign (resid 45 and name HD* ) (resid 64 and name HD1# ) 3.0 1.2 1.3 ! A.3786 at -1.15e+06 assign (resid 45 and name HD* ) (resid 73 and name HG* ) 2.5 0.7 1.2 ! A.3881 at 3.39e+06 assign (resid 45 and name HD* ) (resid 75 and name HD* ) 3.0 1.2 1.3 ! A.2913 at 9.97e+05 assign (resid 45 and name HB2 ) (resid 75 and name HD* ) 4.0 2.2 1.5 ! A.3788 at 3.35e+04 assign (resid 46 and name HA ) (resid 61 and name HE# ) 3.0 1.2 0.8 ! A.2950 at -5.78e+05 assign (resid 49 and name HD2# ) (resid 59 and name HD1# ) 3.0 1.2 1.3 ! A.934 at 6.28e+05 assign (resid 49 and name HD2# ) (resid 59 and name HD2# ) 3.0 1.2 1.3 ! A.3804 at 3.74e+05 assign (resid 49 and name HA ) (resid 59 and name HD2# ) 4.0 2.2 2.0 ! A.911 at 7.28e+04 assign (resid 49 and name HD2# ) (resid 61 and name HE# ) 3.0 1.2 1.3 ! A.2952 at -7.48e+05 assign (resid 49 and name HB2 ) (resid 86 and name HD# ) 4.0 2.2 2.0 ! A.3619 at 6.61e+04 assign (resid 49 and name HD1# ) (resid 86 and name HE# ) 4.0 2.2 2.0 ! A.3962 at 6.83e+04 assign (resid 49 and name HD2# ) (resid 86 and name HE# ) 3.0 1.2 0.8 ! A.2649 at 4.01e+05 assign (resid 50 and name HB# ) (resid 56 and name HD# ) 4.0 2.2 2.0 ! A.4050 at -1.03e+05 assign (resid 52 and name HB# ) (resid 86 and name HD# ) 4.0 2.2 2.0 ! A.3958 at -5.49e+04 assign (resid 52 and name HB# ) (resid 86 and name HA ) 4.0 2.2 1.5 ! A.1228 at -1.38e+05 assign (resid 52 and name HB# ) (resid 89 and name HB# ) 3.0 1.2 0.8 ! A.2960 at -4.31e+05 assign (resid 52 and name HA ) (resid 89 and name HB# ) 3.0 1.2 0.8 ! A.4002 at -1.80e+05 assign (resid 52 and name HB# ) (resid 89 and name HA ) 4.0 2.2 1.5 ! A.3739 at -1.38e+05 assign (resid 53 and name HA# ) (resid 59 and name HD1# ) 4.0 2.2 1.5 ! A.808 at 1.02e+05 assign (resid 53 and name HA# ) (resid 59 and name HB2 ) 4.0 2.2 2.0 ! A.3243 at 7.14e+04 assign (resid 53 and name HA# ) (resid 85 and name HD# ) 4.0 2.2 2.0 ! A.467 at 8.54e+04 assign (resid 53 and name HA# ) (resid 86 and name HD# ) 4.0 2.2 1.5 ! A.466 at 8.48e+04 assign (resid 55 and name HB# ) (resid 82 and name HG# ) 4.0 2.2 1.0 ! A.1194 at 8.21e+04 assign (resid 58 and name HG2# ) (resid 78 and name HB# ) 3.0 1.2 0.8 ! A.3623 at -2.72e+05 assign (resid 58 and name HA ) (resid 78 and name HB# ) 3.0 1.2 0.8 ! A.860 at -2.21e+05 assign (resid 58 and name HG1# ) (resid 82 and name HG# ) 3.0 1.2 0.8 ! A.875 at -4.67e+05 assign (resid 58 and name HG1# ) (resid 82 and name HA ) 4.0 2.2 1.5 ! A.875 at -6.22e+04 assign (resid 58 and name HG1# ) (resid 82 and name HB# ) 3.0 1.2 0.8 ! A.877 at -3.14e+05 assign (resid 58 and name HA ) (resid 82 and name HG# ) 4.0 2.2 1.0 ! A.2305 at -8.12e+04 assign (resid 58 and name HB ) (resid 82 and name HB# ) 3.0 1.2 0.8 ! A.2305 at 1.17e+05 assign (resid 58 and name HG2# ) (resid 82 and name HB# ) 4.0 2.2 1.5 ! A.3736 at 8.56e+04 assign (resid 58 and name HG2# ) (resid 82 and name HG# ) 3.0 1.2 0.8 ! A.3735 at 1.75e+05 assign (resid 59 and name HD1# ) (resid 75 and name HD* ) 3.0 1.2 1.3 ! A.3335 at 7.76e+05 assign (resid 59 and name HD2# ) (resid 75 and name HD* ) 4.0 2.2 2.0 ! A.3683 at 4.04e+04 assign (resid 59 and name HD1# ) (resid 76 and name HB# ) 4.0 2.2 2.0 ! A.4007 at 6.13e+04 assign (resid 59 and name HG ) (resid 77 and name HA ) 4.0 2.2 1.0 ! A.1175 at -8.08e+04 assign (resid 59 and name HB2 ) (resid 77 and name HA ) 4.0 2.2 1.0 ! A.1171 at -8.12e+04 assign (resid 59 and name HD2# ) (resid 77 and name HA ) 4.0 2.2 1.5 ! A.1172 at -9.32e+04 assign (resid 59 and name HA ) (resid 77 and name HA ) 3.0 1.2 0.3 ! A.1169 at -2.44e+05 assign (resid 59 and name HA ) (resid 77 and name HB# ) 4.0 2.2 2.0 ! A.3350 at -4.67e+04 assign (resid 59 and name HD1# ) (resid 77 and name HE# ) 4.0 2.2 2.0 ! A.3176 at 7.42e+04 assign (resid 59 and name HD2# ) (resid 77 and name HZ ) 4.0 2.2 1.5 ! A.904 at 6.96e+04 assign (resid 59 and name HD2# ) (resid 77 and name HD# ) 4.0 2.2 2.0 ! A.906 at 1.33e+05 assign (resid 59 and name HD2# ) (resid 77 and name HB# ) 4.0 2.2 2.0 ! A.3170 at 6.25e+04 assign (resid 59 and name HD2# ) (resid 77 and name HE# ) 3.0 1.2 1.3 ! A.905 at 1.68e+05 assign (resid 59 and name HD2# ) (resid 82 and name HB# ) 4.0 2.2 1.5 ! A.915 at 1.28e+05 assign (resid 59 and name HD2# ) (resid 83 and name HA ) 4.0 2.2 1.5 ! A.912 at 7.76e+04 assign (resid 59 and name HD1# ) (resid 83 and name HA ) 4.0 2.2 1.5 ! A.2781 at -7.79e+04 assign (resid 59 and name HD1# ) (resid 86 and name HD# ) 4.0 2.2 2.0 ! A.922 at 4.11e+04 assign (resid 59 and name HD2# ) (resid 86 and name HA ) 4.0 2.2 2.0 ! A.909 at 4.87e+04 assign (resid 59 and name HD2# ) (resid 86 and name HD# ) 4.0 2.2 2.0 ! A.907 at 4.70e+04 assign (resid 59 and name HD1# ) (resid 86 and name HB# ) 4.0 2.2 2.0 ! A.929 at 7.16e+04 assign (resid 61 and name HA ) (resid 75 and name HD* ) 3.0 1.2 0.8 ! A.948 at -2.57e+05 assign (resid 61 and name HB# ) (resid 75 and name HD* ) 3.0 1.2 0.8 ! A.3396 at -4.12e+05 assign (resid 61 and name HE# ) (resid 75 and name HD* ) 3.0 1.2 1.3 ! A.2958 at -1.52e+05 assign (resid 61 and name HG# ) (resid 75 and name HD* ) 3.0 1.2 0.8 ! A.2917 at 1.80e+05 assign (resid 61 and name HA ) (resid 75 and name HA ) 3.0 1.2 0.3 ! A.338 at -2.38e+05 assign (resid 62 and name HD* ) (resid 76 and name HA ) 4.0 2.2 1.5 ! A.2194 at -7.72e+04 assign (resid 62 and name HD* ) (resid 144 and name HA ) 4.0 2.2 1.5 ! A.2011 at -9.70e+04 assign (resid 62 and name HD* ) (resid 144 and name HB# ) 3.0 1.2 1.3 ! A.2019 at 1.77e+05 assign (resid 62 and name HD* ) (resid 146 and name HG# ) 3.0 1.2 1.3 ! A.971 at 2.39e+05 assign (resid 62 and name HD* ) (resid 146 and name HB# ) 4.0 2.2 2.0 ! A.971 at 1.45e+05 assign (resid 62 and name HD* ) (resid 153 and name HB# ) 3.0 1.2 1.3 ! A.3705 at 1.69e+05 assign (resid 63 and name HA ) (resid 152 and name HD1# ) 3.0 1.2 0.8 ! A.3690 at -4.02e+05 assign (resid 63 and name HE# ) (resid 152 and name HD1# ) 4.0 2.2 1.5 ! A.2094 at 1.07e+05 assign (resid 64 and name HG2# ) (resid 71 and name HB# ) 4.0 2.2 1.5 ! A.365 at 8.93e+04 assign (resid 64 and name HG2# ) (resid 71 and name HD# ) 3.0 1.2 1.3 ! A.1128 at -1.04e+06 assign (resid 64 and name HG2# ) (resid 71 and name HA ) 4.0 2.2 1.5 ! A.1126 at -1.35e+05 assign (resid 64 and name HG2# ) (resid 71 and name HD1# ) 3.0 1.2 1.3 ! A.2260 at 2.21e+05 assign (resid 64 and name HG2# ) (resid 71 and name HD2# ) 3.0 1.2 1.3 ! A.3650 at 4.90e+05 assign (resid 64 and name HG2# ) (resid 73 and name HG* ) 3.0 1.2 1.3 ! A.2299 at -3.22e+05 assign (resid 64 and name HB ) (resid 73 and name HG* ) 4.0 2.2 1.5 ! A.4233 at -4.38e+04 assign (resid 64 and name HG# ) (resid 73 and name HG* ) 4.0 2.2 1.5 ! A.2294 at -4.38e+04 assign (resid 64 and name HD1# ) (resid 73 and name HG* ) 2.5 0.7 1.2 ! A.3787 at -4.22e+06 assign (resid 64 and name HG1# ) (resid 73 and name HA ) 4.0 2.2 1.5 ! A.332 at -1.09e+05 assign (resid 64 and name HD1# ) (resid 75 and name HD* ) 3.0 1.2 1.3 ! A.2602 at -1.89e+05 assign (resid 65 and name HD2 ) (resid 72 and name HG2# ) 4.0 2.2 2.0 ! A.3846 at -3.10e+04 assign (resid 65 and name HB# ) (resid 72 and name HG2# ) 3.0 1.2 1.3 ! A.3149 at -2.36e+05 assign (resid 65 and name HB# ) (resid 72 and name HB ) 3.0 1.2 0.3 ! A.1116 at 1.61e+05 assign (resid 65 and name HD2 ) (resid 72 and name HD# ) 4.0 2.2 1.5 ! A.2732 at -9.39e+04 assign (resid 65 and name HB# ) (resid 72 and name HD# ) 4.0 2.2 2.0 ! A.1054 at 6.85e+04 assign (resid 75 and name HD* ) (resid 86 and name HE# ) 4.0 2.2 2.0 ! A.3963 at -5.14e+04 assign (resid 75 and name HB# ) (resid 139 and name HG2# ) 4.0 2.2 1.5 ! A.2866 at -1.14e+05 assign (resid 75 and name HB# ) (resid 139 and name HD1# ) 4.0 2.2 1.5 ! A.3783 at -7.78e+04 assign (resid 77 and name HD# ) (resid 83 and name HA ) 4.0 2.2 1.5 ! A.1210 at -1.11e+05 assign (resid 77 and name HE# ) (resid 83 and name HA ) 4.0 2.2 1.5 ! A.1209 at -7.94e+04 assign (resid 77 and name HB# ) (resid 139 and name HD1# ) 4.0 2.2 2.0 ! A.3802 at 4.98e+04 assign (resid 77 and name HD# ) (resid 139 and name HG2# ) 3.0 1.2 1.3 ! A.2206 at -1.66e+05 assign (resid 77 and name HE# ) (resid 139 and name HG2# ) 3.0 1.2 1.3 ! A.2207 at -1.68e+05 assign (resid 77 and name HE# ) (resid 139 and name HD1# ) 4.0 2.2 2.0 ! A.3933 at -6.69e+04 assign (resid 77 and name HD# ) (resid 139 and name HD1# ) 4.0 2.2 2.0 ! A.2581 at -5.40e+04 assign (resid 83 and name HB# ) (resid 136 and name HD* ) 4.0 2.2 1.5 ! A.3757 at 1.14e+05 assign (resid 84 and name HA# ) (resid 136 and name HD* ) 3.0 1.2 1.3 ! A.2777 at 1.53e+05 assign (resid 86 and name HD# ) (resid 118 and name HD* ) 3.0 1.2 1.3 ! A.1758 at 1.63e+05 assign (resid 86 and name HZ ) (resid 118 and name HD* ) 3.0 1.2 0.8 ! A.3528 at 3.70e+05 assign (resid 86 and name HE# ) (resid 118 and name HD* ) 3.0 1.2 0.8 ! A.1745 at 3.94e+05 assign (resid 86 and name HD# ) (resid 139 and name HD1# ) 4.0 2.2 1.5 ! A.2582 at -8.80e+04 assign (resid 87 and name HD* ) (resid 132 and name HG# ) 3.0 1.2 1.3 ! A.2615 at 2.60e+05 assign (resid 87 and name HD* ) (resid 132 and name HB# ) 4.0 2.2 2.0 ! A.3867 at 1.28e+05 assign (resid 87 and name HD* ) (resid 135 and name HB# ) 3.0 1.2 1.3 ! A.2683 at 2.18e+05 assign (resid 87 and name HD* ) (resid 136 and name HA ) 4.0 2.2 1.5 ! A.4084 at 8.67e+04 assign (resid 87 and name HD* ) (resid 136 and name HD* ) 2.5 0.7 1.8 ! A.4011 at 1.06e+07 assign (resid 87 and name HD* ) (resid 139 and name HD1# ) 3.0 1.2 1.3 ! A.3784 at -1.03e+06 assign (resid 90 and name HE# ) (resid 116 and name HB# ) 4.0 2.2 1.0 ! A.1681 at 1.04e+05 assign (resid 90 and name HE# ) (resid 116 and name HG ) 4.0 2.2 2.0 ! A.3516 at 7.40e+04 assign (resid 90 and name HE# ) (resid 116 and name HD1# ) 3.0 1.2 0.8 ! A.1704 at 2.96e+05 assign (resid 90 and name HD# ) (resid 116 and name HD1# ) 3.0 1.2 0.8 ! A.3808 at 2.11e+05 assign (resid 90 and name HE# ) (resid 116 and name HD2# ) 4.0 2.2 1.5 ! A.1705 at 9.88e+04 assign (resid 90 and name HA ) (resid 118 and name HD* ) 4.0 2.2 1.5 ! A.2629 at -9.33e+04 assign (resid 90 and name HD# ) (resid 118 and name HD* ) 4.0 2.2 2.0 ! A.3616 at 8.29e+04 assign (resid 90 and name HB# ) (resid 118 and name HD* ) 4.0 2.2 2.0 ! A.2783 at 5.75e+04 assign (resid 90 and name HE# ) (resid 118 and name HD* ) 3.0 1.2 0.8 ! A.1748 at 3.77e+05 assign (resid 90 and name HE# ) (resid 129 and name HD1# ) 4.0 2.2 2.0 ! A.3745 at 2.95e+04 assign (resid 90 and name HD# ) (resid 129 and name HD* ) 4.0 2.2 2.0 ! A.3955 at 3.81e+04 assign (resid 91 and name HA ) (resid 129 and name HD* ) 3.0 1.2 0.8 ! A.1329 at -3.11e+05 assign (resid 91 and name HB# ) (resid 129 and name HD* ) 4.0 2.2 2.5 ! A.1335 at 3.63e+04 assign (resid 91 and name HG# ) (resid 129 and name HD1# ) 4.0 2.2 2.0 ! A.4104 at 6.29e+04 assign (resid 91 and name HD# ) (resid 129 and name HD1# ) 4.0 2.2 1.5 ! A.1878 at 8.83e+04 assign (resid 91 and name HD# ) (resid 129 and name HB# ) 4.0 2.2 1.5 ! A.4249 at 1.64e+05 assign (resid 91 and name HB# ) (resid 129 and name HD1# ) 3.0 1.2 1.3 ! A.1879 at 2.87e+05 assign (resid 100 and name HA ) (resid 112 and name HG2# ) 4.0 2.2 1.5 ! A.1605 at -1.34e+05 assign (resid 100 and name HB# ) (resid 112 and name HG1# ) 4.0 2.2 1.5 ! A.3948 at -5.76e+04 assign (resid 100 and name HB# ) (resid 113 and name HA ) 4.0 2.2 1.0 ! A.1630 at -9.18e+04 assign (resid 100 and name HG# ) (resid 114 and name HG ) 4.0 2.2 1.0 ! A.1657 at 1.13e+05 assign (resid 101 and name HA ) (resid 111 and name HA ) 3.0 1.2 0.3 ! A.1583 at -2.08e+05 assign (resid 101 and name HG# ) (resid 113 and name HB# ) 3.0 1.2 1.3 ! A.4068 at 1.61e+06 assign (resid 101 and name HG# ) (resid 113 and name HA ) 4.0 2.2 1.0 ! A.2914 at 1.41e+05 assign (resid 101 and name HG# ) (resid 113 and name HD# ) 3.0 1.2 1.3 ! A.754 at 1.98e+05 assign (resid 104 and name HB# ) (resid 111 and name HA ) 3.0 1.2 0.8 ! A.1521 at -5.12e+05 assign (resid 104 and name HB# ) (resid 111 and name HB# ) 4.0 2.2 1.5 ! A.1522 at -8.52e+04 assign (resid 104 and name HA ) (resid 111 and name HA ) 4.0 2.2 1.0 ! A.3591 at -8.59e+04 assign (resid 104 and name HA ) (resid 112 and name HG2# ) 4.0 2.2 1.5 ! A.1607 at -1.24e+05 assign (resid 104 and name HB# ) (resid 112 and name HG1# ) 3.0 1.2 1.3 ! A.2882 at -5.46e+05 assign (resid 104 and name HA ) (resid 112 and name HG1# ) 3.0 1.2 1.3 ! A.1618 at -5.58e+05 assign (resid 104 and name HB# ) (resid 112 and name HB ) 3.0 1.2 0.8 ! A.3593 at -2.78e+05 assign (resid 104 and name HB# ) (resid 112 and name HA ) 4.0 2.2 1.5 ! A.1591 at -1.00e+05 assign (resid 120 and name HB# ) (resid 135 and name HA ) 3.0 1.2 0.8 ! A.3749 at -3.90e+05 assign (resid 120 and name HB# ) (resid 138 and name HB2 ) 3.0 1.2 0.8 ! A.3716 at -1.94e+05 assign (resid 120 and name HB# ) (resid 138 and name HB1 ) 3.0 1.2 0.8 ! A.3717 at -3.42e+05 assign (resid 120 and name HB# ) (resid 139 and name HG1# ) 3.0 1.2 1.3 ! A.1798 at -2.97e+05 assign (resid 120 and name HB# ) (resid 142 and name HG# ) 4.0 2.2 2.0 ! A.322 at -2.14e+05 assign (resid 128 and name HD* ) (resid 135 and name HB# ) 4.0 2.2 2.0 ! A.4255 at 7.00e+04 assign (resid 118 and name HD* ) (resid 125 and name HB# ) 4.0 2.2 2.0 ! A.1822 at 1.13e+05 assign (resid 116 and name HA ) (resid 90 and name HE# ) 4.0 2.2 1.5 ! A.1678 at 1.13e+05 assign (resid 38 and name HA ) (resid 32 and name HA ) 4.0 2.2 1.0 ! A.548 at -3.2e+05 assign (resid 11 and name HE1 ) (resid 77 and name HD# ) 4.0 2.2 1.0 ! A.18 at 6.97e+04 assign (resid 11 and name HE1 ) (resid 140 and name HB# ) 4.0 2.2 1.5 ! A.14 at 1.05e+05 assign (resid 11 and name HE1 ) (resid 136 and name HD* ) 4.0 2.2 1.5 ! A.15 at 5.47e+04 assign (resid 12 and name HB ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.2023 at 6.72e+04 assign (resid 12 and name HG* ) (resid 143 and name HE2# ) 4.0 2.2 2.0 ! A.1955 at 1.00e+05 assign (resid 13 and name HN ) (resid 77 and name HB2 ) 4.0 2.2 1.0 ! A.1967 at 6.18e+04 assign (resid 13 and name HN ) (resid 77 and name HD# ) 4.0 2.2 1.5 ! A.2012 at 6.42e+04 assign (resid 15 and name HN ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.42 at 8.92e+04 assign (resid 15 and name HN ) (resid 75 and name HB# ) 4.0 2.2 1.5 ! A.942 at 8.46e+04 assign (resid 15 and name HN ) (resid 77 and name HE# ) 4.0 2.2 1.0 ! A.1650 at 9.09e+04 assign (resid 15 and name HA ) (resid 119 and name HN ) 4.0 2.2 1.0 ! A.2011 at 6.58e+04 assign (resid 15 and name HB# ) (resid 139 and name HN ) 4.0 2.2 1.5 ! A.502 at 1.09e+05 assign (resid 16 and name HD# ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.27 at 7.69e+04 assign (resid 16 and name HE# ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.1919 at 7.79e+04 assign (resid 16 and name HA ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.28 at 9.87e+04 assign (resid 16 and name HN ) (resid 119 and name HB# ) 4.0 2.2 1.5 ! A.1117 at 8.69e+04 assign (resid 16 and name HN ) (resid 120 and name HA ) 3.0 1.2 0.5 ! A.2056 at 4.93e+05 assign (resid 16 and name HB# ) (resid 142 and name HE2# ) 4.0 2.2 1.5 ! A.1369 at 9.12e+04 assign (resid 17 and name HN ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.19 at 1.30e+05 assign (resid 17 and name HN ) (resid 73 and name HB ) 4.0 2.2 1.0 ! A.142 at 7.53e+04 assign (resid 17 and name HN ) (resid 74 and name HA ) 4.0 2.2 1.0 ! A.2036 at 8.01e+04 assign (resid 17 and name HA ) (resid 117 and name HN ) 4.0 2.2 1.0 ! A.787 at 7.47e+04 assign (resid 17 and name HB1 ) (resid 117 and name HN ) 4.0 2.2 1.0 ! A.814 at 1.53e+05 assign (resid 17 and name HN ) (resid 119 and name HN ) 4.0 2.2 1.0 ! A.128 at 1.06e+05 assign (resid 17 and name HG ) (resid 119 and name HN ) 4.0 2.2 1.0 ! A.2054 at 1.57e+05 assign (resid 17 and name HD1#) (resid 119 and name HN ) 4.0 2.2 1.5 ! A.2093 at OVERLAPP ADDL assign (resid 18 and name HN ) (resid 72 and name HA ) 4.0 2.2 1.0 ! A.1902 at 6.36e+04 assign (resid 18 and name HA ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.20 at 1.08e+05 assign (resid 18 and name HN ) (resid 117 and name HN ) 4.0 2.2 1.0 ! A.0 at 1.28e+05 assign (resid 18 and name HN ) (resid 117 and name HB# ) 4.0 2.2 1.5 ! A.8 at 1.00e+05 assign (resid 18 and name HB2 ) (resid 117 and name HN ) 4.0 2.2 1.0 ! A.811 at 1.67e+05 assign (resid 18 and name HB1 ) (resid 117 and name HN ) 4.0 2.2 1.0 ! A.815 at 1.16e+05 assign (resid 18 and name HN ) (resid 118 and name HD* ) 4.0 2.2 1.5 ! A.1 at 1.20e+05 assign (resid 18 and name HN ) (resid 118 and name HA ) 4.0 2.2 1.0 ! A.9 at 7.14e+04 assign (resid 18 and name HZ ) (resid 119 and name HN ) 4.0 2.2 1.0 ! A.226 at 7.87e+04 assign (resid 19 and name HN ) (resid 71 and name HB# ) 4.0 2.2 1.0 ! A.749 at 8.35e+04 assign (resid 19 and name HN ) (resid 71 and name HA ) 4.0 2.2 1.0 ! A.752 at 8.58e+04 assign (resid 19 and name HN ) (resid 71 and name HN ) 4.0 2.2 1.0 ! A.770 at 1.41e+05 assign (resid 19 and name HG* ) (resid 71 and name HN ) 4.0 2.2 1.5 ! A.1145 at 1.17e+05 assign (resid 19 and name HN ) (resid 72 and name HA ) 4.0 2.2 1.0 ! A.747 at 1.04e+05 assign (resid 19 and name HN ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.1969 at 6.26e+04 assign (resid 20 and name HG# ) (resid 70 and name HE2# ) 4.0 2.2 1.0 ! A.1952 at 7.63e+04 assign (resid 20 and name HB# ) (resid 70 and name HE2# ) 4.0 2.2 1.5 ! A.1413 at 8.55e+04 assign (resid 20 and name HA ) (resid 71 and name HN ) 4.0 2.2 1.0 ! A.1916 at 8.23e+04 assign (resid 20 and name HN ) (resid 114 and name HD* ) 4.0 2.2 1.5 ! A.1960 at 9.94e+04 assign (resid 20 and name HN ) (resid 115 and name HN ) 4.0 2.2 1.0 ! A.148 at 1.67e+05 assign (resid 20 and name HB# ) (resid 115 and name HN ) 4.0 2.2 1.5 ! A.1950 at 2.32e+05 assign (resid 20 and name HN ) (resid 116 and name HD2# ) 4.0 2.2 1.5 ! A.150 at 2.05e+05 assign (resid 20 and name HN ) (resid 116 and name HA ) 4.0 2.2 1.0 ! A.167 at 1.20e+05 assign (resid 21 and name HN ) (resid 114 and name HD* ) 4.0 2.2 1.5 ! A.1050 at 1.53e+05 assign (resid 21 and name HA ) (resid 115 and name HN ) 4.0 2.2 1.0 ! A.829 at 1.69e+05 assign (resid 22 and name HN ) (resid 114 and name HA ) 4.0 2.2 1.0 ! A.1703 at 2.09e+05 assign (resid 22 and name HN ) (resid 114 and name HD* ) 4.0 2.2 1.5 ! A.313 at 2.07e+05 assign (resid 29 and name HN ) (resid 69 and name HA ) 4.0 2.2 1.0 ! A.1931 at 8.41e+04 assign (resid 29 and name HN ) (resid 71 and name HD1# ) 4.0 2.2 1.5 ! A.1488 at 8.98e+04 assign (resid 32 and name HN ) (resid 71 and name HD2# ) 4.0 2.2 1.5 ! A.1389 at 1.94e+05 assign (resid 32 and name HN ) (resid 71 and name HB# ) 4.0 2.2 1.5 ! A.1401 at 8.39e+04 assign (resid 38 and name HB# ) (resid 64 and name HN ) 4.0 2.2 1.5 ! A.254 at 9.11e+04 assign (resid 39 and name HN ) (resid 64 and name HG1# ) 4.0 2.2 1.5 ! A.1775 at 2.05e+05 assign (resid 46 and name HN ) (resid 61 and name HE# ) 3.0 1.2 1.0 ! A.1120 at 2.79e+05 assign (resid 53 and name HN ) (resid 59 and name HD1# ) 4.0 2.2 1.5 ! A.1932 at 7.07e+04 assign (resid 54 and name HN ) (resid 86 and name HA ) 4.0 2.2 1.0 ! A.1457 at 7.33e+04 assign (resid 54 and name HN ) (resid 86 and name HD# ) 4.0 2.2 1.0 ! A.1466 at 6.63e+04 assign (resid 59 and name HA ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.437 at 1.03e+05 assign (resid 61 and name HB# ) (resid 74 and name HN ) 4.0 2.2 1.5 ! A.32 at 1.42e+05 assign (resid 62 and name HN ) (resid 74 and name HB2 ) 4.0 2.2 1.0 ! A.2039 at 8.91e+04 assign (resid 62 and name HN ) (resid 75 and name HD* ) 4.0 2.2 1.5 ! A.318 at 8.17e+04 assign (resid 62 and name HN ) (resid 75 and name HA ) 4.0 2.2 1.0 ! A.338 at 8.69e+04 assign (resid 63 and name HN ) (resid 73 and name HA ) 4.0 2.2 1.0 ! A.1359 at 1.45e+05 assign (resid 63 and name HN ) (resid 73 and name HG* ) 4.0 2.2 1.5 ! A.1365 at 2.27e+05 assign (resid 63 and name HN ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.40 at 1.94e+05 assign (resid 63 and name HA ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.1690 at 8.49e+04 assign (resid 63 and name HN ) (resid 74 and name HB1 ) 4.0 2.2 1.0 ! A.2038 at 1.41e+05 assign (resid 63 and name HN ) (resid 74 and name HB2 ) 3.0 1.2 0.5 ! A.2037 at 3.51e+05 assign (resid 64 and name HN ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.1818 at 6.45e+04 assign (resid 65 and name HB# ) (resid 72 and name HN ) 4.0 2.2 1.0 ! A.556 at 1.02e+05 assign (resid 65 and name HN ) (resid 72 and name HD1# ) 4.0 2.2 1.5 ! A.83 at 8.10e+04 assign (resid 65 and name HN ) (resid 72 and name HN ) 4.0 2.2 1.0 ! A.91 at 1.59e+05 assign (resid 65 and name HN ) (resid 72 and name HB ) 4.0 2.2 1.0 ! A.106 at 9.50e+04 assign (resid 65 and name HN ) (resid 73 and name HA ) 2.5 0.7 0.4 ! A.1970 at 8.35e+05 assign (resid 65 and name HN ) (resid 73 and name HG* ) 4.0 2.2 1.5 ! A.101 at 1.08e+05 assign (resid 65 and name HN ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.29 at 6.76e+04 assign (resid 77 and name HD# ) (resid 83 and name HN ) 4.0 2.2 1.0 ! A.1899 at 6.38e+04 assign (resid 77 and name HE# ) (resid 86 and name HN ) 4.0 2.2 1.5 ! A.384 at 6.69e+04 assign (resid 84 and name HN ) (resid 136 and name HD* ) 4.0 2.2 1.5 ! A.1888 at 2.32e+05 assign (resid 87 and name HD* ) (resid 135 and name HN ) 4.0 2.2 1.5 ! A.1137 at 8.54e+04 assign (resid 90 and name HE# ) (resid 115 and name HE2# ) 4.0 2.2 1.0 ! A.1936 at 1.46e+05 assign (resid 97 and name HA ) (resid 114 and name HN ) 4.0 2.2 1.0 ! A.620 at 8.57e+04 assign (resid 101 and name HA ) (resid 112 and name HN ) 4.0 2.2 1.0 ! A.2050 at 6.66e+04 assign (resid 104 and name HN ) (resid 111 and name HA ) 4.0 2.2 1.0 ! A.550 at 1.13e+05 assign (resid 104 and name HB# ) (resid 112 and name HN ) 3.0 1.2 1.0 ! A.282 at 3.75e+05 assign (resid 104 and name HN ) (resid 112 and name HG1# ) 3.0 1.2 1.0 ! A.553 at 3.01e+05 assign (resid 105 and name HN ) (resid 112 and name HG1# ) 4.0 2.2 1.5 ! A.1086 at 1.17e+05
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