Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
547908 | 2lj0 RC | 17912 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
assign (segid " " and resid 22 and name HA) (segid " " and resid 22 and name HB2) 2.158 0.582 0.582 weight 1.000 ! spec=SH3CFc13noe, no=2, id=1, vol=4.060000e+09
assign (segid " " and resid 22 and name HA) (segid " " and resid 54 and name HG21) 2.869 1.029 1.029 weight 1.000 ! spec=SH3CFc13noe, no=3, id=2, vol=7.360000e+08
assign (segid " " and resid 22 and name HG2) (segid " " and resid 22 and name HA) 3.291 1.354 1.354 weight 1.000 ! spec=SH3CFc13noe, no=4, id=3, vol=3.230000e+08
assign (segid " " and resid 22 and name HA) (segid " " and resid 22 and name HB1) 3.290 1.353 1.353 weight 1.000 ! spec=SH3CFc13noe, no=6, id=5, vol=3.240000e+08
assign (segid " " and resid 22 and name HB2) (segid " " and resid 17 and name HA) 3.064 1.174 1.174 weight 1.000 ! spec=SH3CFc13noe, no=7, id=6, vol=4.960000e+08
assign (segid " " and resid 22 and name HB1) (segid " " and resid 17 and name HA) 3.417 1.459 1.459 weight 1.000 ! spec=SH3CFc13noe, no=8, id=7, vol=2.580000e+08
assign (segid " " and resid 23 and name HA) (segid " " and resid 24 and name HB1) 6.511 5.299 5.299 weight 1.000 ! spec=SH3CFc13noe, no=9, id=8, vol=5.390000e+06
assign (segid " " and resid 23 and name HA) (segid " " and resid 23 and name HD22) 2.741 0.939 0.939 weight 1.000 ! spec=SH3CFc13noe, no=13, id=12, vol=9.690000e+08
assign (segid " " and resid 25 and name HD12) (segid " " and resid 25 and name HA) 3.291 1.354 1.354 weight 1.000 ! spec=SH3CFc13noe, no=15, id=14, vol=3.230000e+08
assign (segid " " and resid 50 and name HG2) (segid " " and resid 50 and name HA) 2.600 0.845 0.845 weight 1.000 ! spec=SH3CFc13noe, no=16, id=15, vol=1.330000e+09
assign (segid " " and resid 35 and name HA) (segid " " and resid 35 and name HG2) 2.232 0.623 0.623 weight 1.000 ! spec=SH3CFc13noe, no=19, id=18, vol=3.320000e+09
assign (segid " " and resid 35 and name HA) (segid " " and resid 36 and name HG2) 2.988 1.116 1.116 weight 1.000 ! spec=SH3CFc13noe, no=20, id=19, vol=5.770000e+08
assign (segid " " and resid 58 and name HB2) (segid " " and resid 58 and name HA) 2.025 0.513 0.513 weight 1.000 ! spec=SH3CFc13noe, no=21, id=20, vol=5.950000e+09
assign (segid " " and resid 24 and name HG2) (segid " " and resid 24 and name HA) 2.021 0.510 0.510 weight 1.000 ! spec=SH3CFc13noe, no=22, id=21, vol=6.030000e+09
assign (segid " " and resid 24 and name HG1) (segid " " and resid 24 and name HA) 2.869 1.029 1.029 weight 1.000 ! spec=SH3CFc13noe, no=23, id=22, vol=7.360000e+08
assign (segid " " and resid 23 and name HA) (segid " " and resid 24 and name HG1) 3.385 1.432 1.432 weight 1.000 ! spec=SH3CFc13noe, no=24, id=23, vol=2.730000e+08
assign (segid " " and resid 24 and name HG2) (segid " " and resid 16 and name HA) 3.106 1.206 1.206 weight 1.000 ! spec=SH3CFc13noe, no=25, id=24, vol=4.570000e+08
assign (segid " " and resid 24 and name HG1) (segid " " and resid 17 and name HD1) 3.893 1.894 1.894 weight 1.000 ! spec=SH3CFc13noe, no=26, id=25, vol=1.180000e+08
assign (segid " " and resid 24 and name HG1) (segid " " and resid 24 and name HG2) 2.283 0.652 0.652 weight 1.000 ! spec=SH3CFc13noe, no=28, id=27, vol=2.900000e+09
assign (segid " " and resid 24 and name HG2) (segid " " and resid 16 and name HD12) 3.081 1.187 1.187 weight 1.000 ! spec=SH3CFc13noe, no=29, id=28, vol=4.800000e+08
assign (segid " " and resid 25 and name HB2) (segid " " and resid 25 and name HA) 2.931 1.074 1.074 weight 1.000 ! spec=SH3CFc13noe, no=30, id=29, vol=6.470000e+08
assign (segid " " and resid 25 and name HB1) (segid " " and resid 25 and name HA) 2.856 1.020 1.020 weight 1.000 ! spec=SH3CFc13noe, no=31, id=30, vol=7.560000e+08
assign (segid " " and resid 25 and name HB1) (segid " " and resid 25 and name HB2) 2.465 0.760 0.760 weight 1.000 ! spec=SH3CFc13noe, no=32, id=31, vol=1.830000e+09
assign (segid " " and resid 25 and name HB2) (segid " " and resid 25 and name HG) 2.704 0.914 0.914 weight 1.000 ! spec=SH3CFc13noe, no=33, id=32, vol=1.050000e+09
assign (segid " " and resid 25 and name HB1) (segid " " and resid 25 and name HD22) 2.850 1.015 1.015 weight 1.000 ! spec=SH3CFc13noe, no=36, id=34, vol=7.660000e+08
assign (segid " " and resid 25 and name HB2) (segid " " and resid 25 and name HD22) 2.801 0.981 0.981 weight 1.000 ! spec=SH3CFc13noe, no=37, id=35, vol=8.500000e+08
assign (segid " " and resid 26 and name HD1) (segid " " and resid 26 and name HB1) 2.230 0.622 0.622 weight 1.000 ! spec=SH3CFc13noe, no=39, id=37, vol=3.340000e+09
assign (segid " " and resid 26 and name HG2) (segid " " and resid 26 and name HA) 2.898 1.050 1.050 weight 1.000 ! spec=SH3CFc13noe, no=40, id=38, vol=6.930000e+08
assign (segid " " and resid 26 and name HG1) (segid " " and resid 26 and name HA) 2.888 1.042 1.042 weight 1.000 ! spec=SH3CFc13noe, no=41, id=39, vol=7.080000e+08
assign (segid " " and resid 26 and name HB2) (segid " " and resid 26 and name HA) 2.824 0.997 0.997 weight 1.000 ! spec=SH3CFc13noe, no=42, id=40, vol=8.100000e+08
assign (segid " " and resid 26 and name HB1) (segid " " and resid 26 and name HA) 2.888 1.043 1.043 weight 1.000 ! spec=SH3CFc13noe, no=43, id=41, vol=7.070000e+08
assign (segid " " and resid 27 and name HA) (segid " " and resid 11 and name HB2) 2.831 1.002 1.002 weight 1.000 ! spec=SH3CFc13noe, no=45, id=43, vol=7.970000e+08
assign (segid " " and resid 27 and name HB2) (segid " " and resid 27 and name HA) 2.730 0.932 0.932 weight 1.000 ! spec=SH3CFc13noe, no=46, id=44, vol=9.910000e+08
assign (segid " " and resid 27 and name HA) (segid " " and resid 27 and name HB1) 2.744 0.941 0.941 weight 1.000 ! spec=SH3CFc13noe, no=47, id=45, vol=9.620000e+08
assign (segid " " and resid 27 and name HB2) (segid " " and resid 13 and name HA) 3.063 1.173 1.173 weight 1.000 ! spec=SH3CFc13noe, no=48, id=46, vol=4.970000e+08
assign (segid " " and resid 27 and name HB1) (segid " " and resid 13 and name HA) 3.140 1.233 1.233 weight 1.000 ! spec=SH3CFc13noe, no=49, id=47, vol=4.280000e+08
assign (segid " " and resid 28 and name HA1) (segid " " and resid 10 and name HG2) 2.962 1.097 1.097 weight 1.000 ! spec=SH3CFc13noe, no=52, id=48, vol=6.080000e+08
assign (segid " " and resid 28 and name HA1) (segid " " and resid 28 and name HN) 2.545 0.810 0.810 weight 1.000 ! spec=SH3CFc13noe, no=54, id=50, vol=1.510000e+09
assign (segid " " and resid 51 and name HA) (segid " " and resid 51 and name HG1) 3.025 1.144 1.144 weight 1.000 ! spec=SH3CFc13noe, no=56, id=52, vol=5.360000e+08
assign (segid " " and resid 51 and name HA) (segid " " and resid 51 and name HB2) 2.073 0.537 0.537 weight 1.000 ! spec=SH3CFc13noe, no=57, id=53, vol=5.180000e+09
assign (segid " " and resid 51 and name HA) (segid " " and resid 51 and name HB1) 2.265 0.641 0.641 weight 1.000 ! spec=SH3CFc13noe, no=58, id=54, vol=3.040000e+09
assign (segid " " and resid 42 and name HB2) (segid " " and resid 42 and name HB1) 1.957 0.478 0.478 weight 1.000 ! spec=SH3CFc13noe, no=60, id=56, vol=7.320000e+09
assign (segid " " and resid 20 and name HB1) (segid " " and resid 20 and name HA) 2.350 0.690 0.690 weight 1.000 ! spec=SH3CFc13noe, no=61, id=57, vol=2.440000e+09
assign (segid " " and resid 21 and name HB1) (segid " " and resid 21 and name HA) 2.445 0.748 0.748 weight 1.000 ! spec=SH3CFc13noe, no=63, id=59, vol=1.920000e+09
assign (segid " " and resid 21 and name HB2) (segid " " and resid 21 and name HA) 2.192 0.601 0.601 weight 1.000 ! spec=SH3CFc13noe, no=64, id=60, vol=3.700000e+09
assign (segid " " and resid 30 and name HA) (segid " " and resid 30 and name HG12) 2.745 0.942 0.942 weight 1.000 ! spec=SH3CFc13noe, no=65, id=61, vol=9.590000e+08
assign (segid " " and resid 30 and name HA) (segid " " and resid 30 and name HG22) 2.590 0.839 0.839 weight 1.000 ! spec=SH3CFc13noe, no=66, id=62, vol=1.360000e+09
assign (segid " " and resid 30 and name HA) (segid " " and resid 30 and name HG11) 2.774 0.962 0.962 weight 1.000 ! spec=SH3CFc13noe, no=67, id=63, vol=9.010000e+08
assign (segid " " and resid 30 and name HB) (segid " " and resid 30 and name HA) 3.309 1.368 1.368 weight 1.000 ! spec=SH3CFc13noe, no=69, id=65, vol=3.130000e+08
assign (segid " " and resid 30 and name HB) (segid " " and resid 47 and name HD1) 3.268 1.335 1.335 weight 1.000 ! spec=SH3CFc13noe, no=71, id=67, vol=3.370000e+08
assign (segid " " and resid 30 and name HB) (segid " " and resid 30 and name HG11) 3.006 1.129 1.129 weight 1.000 ! spec=SH3CFc13noe, no=72, id=68, vol=5.570000e+08
assign (segid " " and resid 31 and name HB) (segid " " and resid 31 and name HA) 2.431 0.739 0.739 weight 1.000 ! spec=SH3CFc13noe, no=74, id=70, vol=1.990000e+09
assign (segid " " and resid 31 and name HB) (segid " " and resid 30 and name HG22) 3.559 1.583 1.583 weight 1.000 ! spec=SH3CFc13noe, no=76, id=71, vol=2.020000e+08
assign (segid " " and resid 31 and name HB) (segid " " and resid 32 and name HN) 3.273 1.339 1.339 weight 1.000 ! spec=SH3CFc13noe, no=77, id=72, vol=3.340000e+08
assign (segid " " and resid 31 and name HB) (segid " " and resid 31 and name HN) 2.906 1.055 1.055 weight 1.000 ! spec=SH3CFc13noe, no=78, id=73, vol=6.820000e+08
assign (segid " " and resid 60 and name HG12) (segid " " and resid 11 and name HB2) 2.930 1.073 1.073 weight 1.000 ! spec=SH3CFc13noe, no=79, id=74, vol=6.490000e+08
assign (segid " " and resid 60 and name HG12) (segid " " and resid 60 and name HA) 2.529 0.799 0.799 weight 1.000 ! spec=SH3CFc13noe, no=81, id=76, vol=1.570000e+09
assign (segid " " and resid 60 and name HG12) (segid " " and resid 11 and name HA) 2.563 0.821 0.821 weight 1.000 ! spec=SH3CFc13noe, no=82, id=77, vol=1.450000e+09
assign (segid " " and resid 31 and name HG12) (segid " " and resid 31 and name HA) 2.402 0.721 0.721 weight 1.000 ! spec=SH3CFc13noe, no=83, id=78, vol=2.140000e+09
assign (segid " " and resid 32 and name HA) (segid " " and resid 33 and name HN) 1.750 0.383 0.383 weight 1.000 ! spec=SH3CFc13noe, no=85, id=80, vol=1.430000e+10
assign (segid " " and resid 34 and name HB2) (segid " " and resid 34 and name HG2) 2.054 0.528 0.528 weight 1.000 ! spec=SH3CFc13noe, no=87, id=82, vol=5.460000e+09
assign (segid " " and resid 34 and name HB2) (segid " " and resid 34 and name HA) 1.975 0.488 0.488 weight 1.000 ! spec=SH3CFc13noe, no=88, id=83, vol=6.920000e+09
assign (segid " " and resid 34 and name HB2) (segid " " and resid 34 and name HE2) 3.512 1.541 1.541 weight 1.000 ! spec=SH3CFc13noe, no=89, id=84, vol=2.190000e+08
assign (segid " " and resid 34 and name HG2) (segid " " and resid 43 and name HG12) 2.820 0.994 0.994 weight 1.000 ! spec=SH3CFc13noe, no=91, id=86, vol=8.170000e+08
assign (segid " " and resid 34 and name HG2) (segid " " and resid 35 and name HB2) 3.215 1.292 1.292 weight 1.000 ! spec=SH3CFc13noe, no=92, id=87, vol=3.720000e+08
assign (segid " " and resid 34 and name HG2) (segid " " and resid 34 and name HA) 2.822 0.995 0.995 weight 1.000 ! spec=SH3CFc13noe, no=93, id=88, vol=8.130000e+08
assign (segid " " and resid 58 and name HB1) (segid " " and resid 58 and name HA) 2.491 0.775 0.775 weight 1.000 ! spec=SH3CFc13noe, no=95, id=90, vol=1.720000e+09
assign (segid " " and resid 35 and name HB2) (segid " " and resid 35 and name HG2) 2.373 0.704 0.704 weight 1.000 ! spec=SH3CFc13noe, no=96, id=91, vol=2.300000e+09
assign (segid " " and resid 35 and name HA) (segid " " and resid 35 and name HB2) 2.516 0.791 0.791 weight 1.000 ! spec=SH3CFc13noe, no=97, id=92, vol=1.620000e+09
assign (segid " " and resid 35 and name HB2) (segid " " and resid 34 and name HE2) 1.728 0.373 0.373 weight 1.000 ! spec=SH3CFc13noe, no=98, id=93, vol=1.540000e+10
assign (segid " " and resid 36 and name HA) (segid " " and resid 36 and name HG2) 2.342 0.685 0.685 weight 1.000 ! spec=SH3CFc13noe, no=99, id=94, vol=2.490000e+09
assign (segid " " and resid 36 and name HA) (segid " " and resid 36 and name HB2) 2.316 0.671 0.671 weight 1.000 ! spec=SH3CFc13noe, no=100, id=95, vol=2.660000e+09
assign (segid " " and resid 36 and name HB2) (segid " " and resid 36 and name HG2) 2.713 0.920 0.920 weight 1.000 ! spec=SH3CFc13noe, no=102, id=97, vol=1.030000e+09
assign (segid " " and resid 36 and name HD2) (segid " " and resid 36 and name HG1) 2.728 0.930 0.930 weight 1.000 ! spec=SH3CFc13noe, no=104, id=99, vol=9.960000e+08
assign (segid " " and resid 36 and name HD2) (segid " " and resid 36 and name HG2) 2.505 0.785 0.785 weight 1.000 ! spec=SH3CFc13noe, no=105, id=100, vol=1.660000e+09
assign (segid " " and resid 36 and name HD2) (segid " " and resid 36 and name HE2) 2.634 0.867 0.867 weight 1.000 ! spec=SH3CFc13noe, no=106, id=101, vol=1.230000e+09
assign (segid " " and resid 36 and name HG2) (segid " " and resid 36 and name HG1) 1.908 0.455 0.455 weight 1.000 ! spec=SH3CFc13noe, no=107, id=102, vol=8.520000e+09
assign (segid " " and resid 36 and name HB2) (segid " " and resid 36 and name HG1) 2.786 0.970 0.970 weight 1.000 ! spec=SH3CFc13noe, no=110, id=104, vol=8.780000e+08
assign (segid " " and resid 37 and name HA) (segid " " and resid 37 and name HB1) 2.258 0.637 0.637 weight 1.000 ! spec=SH3CFc13noe, no=113, id=107, vol=3.100000e+09
assign (segid " " and resid 37 and name HA) (segid " " and resid 37 and name HB2) 3.002 1.126 1.126 weight 1.000 ! spec=SH3CFc13noe, no=114, id=108, vol=5.610000e+08
assign (segid " " and resid 37 and name HB1) (segid " " and resid 40 and name HN) 3.216 1.293 1.293 weight 1.000 ! spec=SH3CFc13noe, no=115, id=109, vol=3.710000e+08
assign (segid " " and resid 38 and name HA) (segid " " and resid 39 and name HN) 2.641 0.872 0.872 weight 1.000 ! spec=SH3CFc13noe, no=118, id=112, vol=1.210000e+09
assign (segid " " and resid 38 and name HA) (segid " " and resid 38 and name HB2) 2.222 0.617 0.617 weight 1.000 ! spec=SH3CFc13noe, no=119, id=113, vol=3.410000e+09
assign (segid " " and resid 39 and name HA) (segid " " and resid 39 and name HB1) 1.998 0.499 0.499 weight 1.000 ! spec=SH3CFc13noe, no=120, id=114, vol=6.450000e+09
assign (segid " " and resid 39 and name HB1) (segid " " and resid 39 and name HB2) 2.163 0.585 0.585 weight 1.000 ! spec=SH3CFc13noe, no=122, id=116, vol=4.010000e+09
assign (segid " " and resid 39 and name HA) (segid " " and resid 39 and name HB2) 2.474 0.765 0.765 weight 1.000 ! spec=SH3CFc13noe, no=123, id=117, vol=1.790000e+09
assign (segid " " and resid 39 and name HB1) (segid " " and resid 39 and name HN) 2.073 0.537 0.537 weight 1.000 ! spec=SH3CFc13noe, no=126, id=120, vol=5.180000e+09
assign (segid " " and resid 41 and name HA) (segid " " and resid 57 and name HN) 2.566 0.823 0.823 weight 1.000 ! spec=SH3CFc13noe, no=130, id=122, vol=1.440000e+09
assign (segid " " and resid 41 and name HA) (segid " " and resid 42 and name HN) 2.332 0.680 0.680 weight 1.000 ! spec=SH3CFc13noe, no=132, id=123, vol=2.550000e+09
assign (segid " " and resid 41 and name HB2) (segid " " and resid 41 and name HB1) 2.403 0.722 0.722 weight 1.000 ! spec=SH3CFc13noe, no=134, id=125, vol=2.130000e+09
assign (segid " " and resid 41 and name HB1) (segid " " and resid 41 and name HA) 3.053 1.165 1.165 weight 1.000 ! spec=SH3CFc13noe, no=135, id=126, vol=5.070000e+08
assign (segid " " and resid 41 and name HA) (segid " " and resid 41 and name HB2) 2.683 0.900 0.900 weight 1.000 ! spec=SH3CFc13noe, no=136, id=127, vol=1.100000e+09
assign (segid " " and resid 41 and name HB2) (segid " " and resid 41 and name HD1) 3.343 1.397 1.397 weight 1.000 ! spec=SH3CFc13noe, no=137, id=128, vol=2.940000e+08
assign (segid " " and resid 41 and name HB2) (segid " " and resid 41 and name HE3) 3.271 1.338 1.338 weight 1.000 ! spec=SH3CFc13noe, no=138, id=129, vol=3.350000e+08
assign (segid " " and resid 41 and name HB1) (segid " " and resid 41 and name HE3) 3.093 1.196 1.196 weight 1.000 ! spec=SH3CFc13noe, no=139, id=130, vol=4.690000e+08
assign (segid " " and resid 42 and name HA) (segid " " and resid 42 and name HB1) 2.630 0.865 0.865 weight 1.000 ! spec=SH3CFc13noe, no=140, id=131, vol=1.240000e+09
assign (segid " " and resid 42 and name HA) (segid " " and resid 42 and name HB2) 2.241 0.628 0.628 weight 1.000 ! spec=SH3CFc13noe, no=141, id=132, vol=3.240000e+09
assign (segid " " and resid 42 and name HA) (segid " " and resid 36 and name HA) 2.726 0.929 0.929 weight 1.000 ! spec=SH3CFc13noe, no=142, id=133, vol=1.000000e+09
assign (segid " " and resid 42 and name HA) (segid " " and resid 33 and name HG22) 3.167 1.254 1.254 weight 1.000 ! spec=SH3CFc13noe, no=143, id=134, vol=4.070000e+08
assign (segid " " and resid 42 and name HA) (segid " " and resid 43 and name HG22) 3.065 1.174 1.174 weight 1.000 ! spec=SH3CFc13noe, no=144, id=135, vol=4.950000e+08
or (segid " " and resid 42 and name HA) (segid " " and resid 43 and name HG21)
or (segid " " and resid 42 and name HA) (segid " " and resid 43 and name HG23)
assign (segid " " and resid 42 and name HA) (segid " " and resid 42 and name HD1) 2.600 0.845 0.845 weight 1.000 ! spec=SH3CFc13noe, no=145, id=136, vol=1.330000e+09
assign (segid " " and resid 42 and name HB1) (segid " " and resid 42 and name HD1) 2.820 0.994 0.994 weight 1.000 ! spec=SH3CFc13noe, no=150, id=141, vol=8.170000e+08
assign (segid " " and resid 42 and name HB1) (segid " " and resid 33 and name HG22) 3.031 1.148 1.148 weight 1.000 ! spec=SH3CFc13noe, no=151, id=142, vol=5.300000e+08
assign (segid " " and resid 32 and name HA) (segid " " and resid 32 and name HB2) 2.445 0.748 0.748 weight 1.000 ! spec=SH3CFc13noe, no=152, id=143, vol=1.920000e+09
assign (segid " " and resid 43 and name HA) (segid " " and resid 43 and name HB) 2.824 0.997 0.997 weight 1.000 ! spec=SH3CFc13noe, no=154, id=145, vol=8.100000e+08
assign (segid " " and resid 61 and name HB2) (segid " " and resid 61 and name HA) 2.140 0.573 0.573 weight 1.000 ! spec=SH3CFc13noe, no=156, id=147, vol=4.270000e+09
assign (segid " " and resid 43 and name HB) (segid " " and resid 43 and name HG12) 2.048 0.524 0.524 weight 1.000 ! spec=SH3CFc13noe, no=159, id=150, vol=5.570000e+09
assign (segid " " and resid 43 and name HG22) (segid " " and resid 43 and name HA) 2.521 0.794 0.794 weight 1.000 ! spec=SH3CFc13noe, no=160, id=151, vol=1.600000e+09
assign (segid " " and resid 43 and name HG22) (segid " " and resid 43 and name HB) 2.319 0.672 0.672 weight 1.000 ! spec=SH3CFc13noe, no=162, id=153, vol=2.640000e+09
assign (segid " " and resid 43 and name HG22) (segid " " and resid 34 and name HG2) 3.712 1.722 1.722 weight 1.000 ! spec=SH3CFc13noe, no=165, id=155, vol=1.570000e+08
assign (segid " " and resid 42 and name HA) (segid " " and resid 43 and name HG22) 3.850 1.853 1.853 weight 1.000 ! spec=SH3CFc13noe, no=166, id=156, vol=1.260000e+08
assign (segid " " and resid 43 and name HG22) (segid " " and resid 55 and name HD1) 3.861 1.863 1.863 weight 1.000 ! spec=SH3CFc13noe, no=168, id=158, vol=1.240000e+08
assign (segid " " and resid 43 and name HG22) (segid " " and resid 52 and name HD2) 3.982 1.982 1.982 weight 1.000 ! spec=SH3CFc13noe, no=169, id=159, vol=1.030000e+08
assign (segid " " and resid 43 and name HG22) (segid " " and resid 35 and name HN) 3.720 1.730 1.730 weight 1.000 ! spec=SH3CFc13noe, no=170, id=160, vol=1.550000e+08
assign (segid " " and resid 43 and name HG22) (segid " " and resid 44 and name HN) 2.675 0.895 0.895 weight 1.000 ! spec=SH3CFc13noe, no=171, id=161, vol=1.120000e+09
assign (segid " " and resid 43 and name HA) (segid " " and resid 43 and name HG12) 2.741 0.939 0.939 weight 1.000 ! spec=SH3CFc13noe, no=172, id=162, vol=9.690000e+08
assign (segid " " and resid 43 and name HG12) (segid " " and resid 34 and name HB2) 3.065 1.174 1.174 weight 1.000 ! spec=SH3CFc13noe, no=175, id=165, vol=4.950000e+08
assign (segid " " and resid 43 and name HG12) (segid " " and resid 52 and name HD2) 3.007 1.131 1.131 weight 1.000 ! spec=SH3CFc13noe, no=176, id=166, vol=5.550000e+08
assign (segid " " and resid 44 and name HA1) (segid " " and resid 33 and name HG22) 3.206 1.285 1.285 weight 1.000 ! spec=SH3CFc13noe, no=181, id=169, vol=3.780000e+08
assign (segid " " and resid 44 and name HA1) (segid " " and resid 33 and name HG12) 4.495 2.525 2.525 weight 1.000 ! spec=SH3CFc13noe, no=182, id=170, vol=4.980000e+07
assign (segid " " and resid 45 and name HA) (segid " " and resid 45 and name HB) 2.704 0.914 0.914 weight 1.000 ! spec=SH3CFc13noe, no=183, id=171, vol=1.050000e+09
assign (segid " " and resid 45 and name HA) (segid " " and resid 45 and name HG21) 2.743 0.941 0.941 weight 1.000 ! spec=SH3CFc13noe, no=184, id=172, vol=9.630000e+08
assign (segid " " and resid 45 and name HA) (segid " " and resid 45 and name HG1) 1.845 0.426 0.426 weight 1.000 ! spec=SH3CFc13noe, no=185, id=173, vol=1.040000e+10
assign (segid " " and resid 45 and name HA) (segid " " and resid 52 and name HB1) 3.909 1.911 1.911 weight 1.000 ! spec=SH3CFc13noe, no=186, id=174, vol=1.150000e+08
assign (segid " " and resid 45 and name HA) (segid " " and resid 52 and name HB2) 3.084 1.189 1.189 weight 1.000 ! spec=SH3CFc13noe, no=187, id=175, vol=4.770000e+08
assign (segid " " and resid 45 and name HA) (segid " " and resid 23 and name HD22) 3.246 1.317 1.317 weight 1.000 ! spec=SH3CFc13noe, no=188, id=176, vol=3.510000e+08
or (segid " " and resid 45 and name HA) (segid " " and resid 23 and name HD21)
or (segid " " and resid 45 and name HA) (segid " " and resid 23 and name HD23)
assign (segid " " and resid 45 and name HA) (segid " " and resid 31 and name HG22) 3.188 1.271 1.271 weight 1.000 ! spec=SH3CFc13noe, no=189, id=177, vol=3.910000e+08
or (segid " " and resid 45 and name HA) (segid " " and resid 31 and name HG21)
or (segid " " and resid 45 and name HA) (segid " " and resid 31 and name HG23)
assign (segid " " and resid 45 and name HB) (segid " " and resid 45 and name HG21) 2.294 0.658 0.658 weight 1.000 ! spec=SH3CFc13noe, no=190, id=178, vol=2.820000e+09
assign (segid " " and resid 45 and name HB) (segid " " and resid 32 and name HB2) 2.851 1.016 1.016 weight 1.000 ! spec=SH3CFc13noe, no=191, id=179, vol=7.640000e+08
assign (segid " " and resid 45 and name HG21) (segid " " and resid 50 and name HB1) 3.501 1.532 1.532 weight 1.000 ! spec=SH3CFc13noe, no=195, id=183, vol=2.230000e+08
assign (segid " " and resid 46 and name HA) (segid " " and resid 46 and name HB1) 2.606 0.849 0.849 weight 1.000 ! spec=SH3CFc13noe, no=196, id=184, vol=1.310000e+09
assign (segid " " and resid 46 and name HA) (segid " " and resid 31 and name HB) 3.325 1.382 1.382 weight 1.000 ! spec=SH3CFc13noe, no=197, id=185, vol=3.040000e+08
assign (segid " " and resid 51 and name HB1) (segid " " and resid 23 and name HD22) 2.257 0.636 0.636 weight 1.000 ! spec=SH3CFc13noe, no=199, id=187, vol=3.110000e+09
assign (segid " " and resid 47 and name HB2) (segid " " and resid 30 and name HD12) 3.562 1.586 1.586 weight 1.000 ! spec=SH3CFc13noe, no=200, id=188, vol=2.010000e+08
assign (segid " " and resid 47 and name HB2) (segid " " and resid 47 and name HD2) 2.255 0.636 0.636 weight 1.000 ! spec=SH3CFc13noe, no=202, id=190, vol=3.120000e+09
assign (segid " " and resid 47 and name HB2) (segid " " and resid 47 and name HA) 2.361 0.697 0.697 weight 1.000 ! spec=SH3CFc13noe, no=203, id=191, vol=2.370000e+09
assign (segid " " and resid 47 and name HG2) (segid " " and resid 47 and name HD1) 1.997 0.498 0.498 weight 1.000 ! spec=SH3CFc13noe, no=204, id=192, vol=6.480000e+09
assign (segid " " and resid 47 and name HD2) (segid " " and resid 47 and name HA) 3.257 1.326 1.326 weight 1.000 ! spec=SH3CFc13noe, no=206, id=194, vol=3.440000e+08
assign (segid " " and resid 47 and name HD2) (segid " " and resid 30 and name HD12) 2.950 1.088 1.088 weight 1.000 ! spec=SH3CFc13noe, no=207, id=195, vol=6.230000e+08
assign (segid " " and resid 47 and name HD1) (segid " " and resid 30 and name HD12) 3.054 1.166 1.166 weight 1.000 ! spec=SH3CFc13noe, no=208, id=196, vol=5.060000e+08
assign (segid " " and resid 26 and name HD2) (segid " " and resid 26 and name HB1) 2.407 0.724 0.724 weight 1.000 ! spec=SH3CFc13noe, no=209, id=197, vol=2.110000e+09
assign (segid " " and resid 47 and name HB2) (segid " " and resid 47 and name HD1) 2.402 0.721 0.721 weight 1.000 ! spec=SH3CFc13noe, no=211, id=199, vol=2.140000e+09
assign (segid " " and resid 47 and name HA) (segid " " and resid 50 and name HD2) 2.467 0.761 0.761 weight 1.000 ! spec=SH3CFc13noe, no=213, id=201, vol=1.820000e+09
assign (segid " " and resid 48 and name HD1) (segid " " and resid 48 and name HB2) 1.864 0.434 0.434 weight 1.000 ! spec=SH3CFc13noe, no=218, id=206, vol=9.780000e+09
assign (segid " " and resid 48 and name HB1) (segid " " and resid 48 and name HA) 2.288 0.655 0.655 weight 1.000 ! spec=SH3CFc13noe, no=219, id=207, vol=2.860000e+09
assign (segid " " and resid 6 and name HB2) (segid " " and resid 6 and name HA) 1.967 0.484 0.484 weight 1.000 ! spec=SH3CFc13noe, no=220, id=208, vol=7.080000e+09
assign (segid " " and resid 48 and name HG1) (segid " " and resid 48 and name HD1) 2.108 0.555 0.555 weight 1.000 ! spec=SH3CFc13noe, no=222, id=210, vol=4.680000e+09
assign (segid " " and resid 49 and name HA) (segid " " and resid 49 and name HG1) 2.806 0.984 0.984 weight 1.000 ! spec=SH3CFc13noe, no=224, id=212, vol=8.410000e+08
assign (segid " " and resid 49 and name HA) (segid " " and resid 49 and name HG21) 2.813 0.989 0.989 weight 1.000 ! spec=SH3CFc13noe, no=225, id=213, vol=8.280000e+08
assign (segid " " and resid 49 and name HA) (segid " " and resid 48 and name HG1) 3.166 1.253 1.253 weight 1.000 ! spec=SH3CFc13noe, no=226, id=214, vol=4.080000e+08
assign (segid " " and resid 49 and name HB) (segid " " and resid 49 and name HG21) 2.400 0.720 0.720 weight 1.000 ! spec=SH3CFc13noe, no=228, id=216, vol=2.150000e+09
assign (segid " " and resid 49 and name HB) (segid " " and resid 49 and name HG1) 2.342 0.685 0.685 weight 1.000 ! spec=SH3CFc13noe, no=230, id=217, vol=2.490000e+09
assign (segid " " and resid 49 and name HG21) (segid " " and resid 49 and name HG1) 2.130 0.567 0.567 weight 1.000 ! spec=SH3CFc13noe, no=233, id=220, vol=4.400000e+09
assign (segid " " and resid 49 and name HG21) (segid " " and resid 48 and name HB2) 3.064 1.174 1.174 weight 1.000 ! spec=SH3CFc13noe, no=234, id=221, vol=4.960000e+08
assign (segid " " and resid 50 and name HB1) (segid " " and resid 50 and name HA) 2.380 0.708 0.708 weight 1.000 ! spec=SH3CFc13noe, no=235, id=222, vol=2.260000e+09
assign (segid " " and resid 50 and name HG2) (segid " " and resid 50 and name HB2) 2.382 0.709 0.709 weight 1.000 ! spec=SH3CFc13noe, no=239, id=226, vol=2.250000e+09
assign (segid " " and resid 50 and name HB2) (segid " " and resid 50 and name HG1) 2.500 0.782 0.782 weight 1.000 ! spec=SH3CFc13noe, no=242, id=229, vol=1.680000e+09
assign (segid " " and resid 50 and name HD2) (segid " " and resid 50 and name HA) 2.174 0.591 0.591 weight 1.000 ! spec=SH3CFc13noe, no=244, id=231, vol=3.890000e+09
assign (segid " " and resid 50 and name HD2) (segid " " and resid 50 and name HB1) 2.899 1.050 1.050 weight 1.000 ! spec=SH3CFc13noe, no=245, id=232, vol=6.920000e+08
assign (segid " " and resid 51 and name HG2) (segid " " and resid 51 and name HB1) 2.394 0.717 0.717 weight 1.000 ! spec=SH3CFc13noe, no=246, id=233, vol=2.180000e+09
assign (segid " " and resid 51 and name HG1) (segid " " and resid 51 and name HB1) 2.179 0.593 0.593 weight 1.000 ! spec=SH3CFc13noe, no=247, id=234, vol=3.840000e+09
assign (segid " " and resid 51 and name HG2) (segid " " and resid 51 and name HA) 3.127 1.222 1.222 weight 1.000 ! spec=SH3CFc13noe, no=248, id=235, vol=4.390000e+08
assign (segid " " and resid 51 and name HG2) (segid " " and resid 49 and name HG21) 2.652 0.879 0.879 weight 1.000 ! spec=SH3CFc13noe, no=250, id=237, vol=1.180000e+09
assign (segid " " and resid 51 and name HG1) (segid " " and resid 49 and name HG21) 3.708 1.719 1.719 weight 1.000 ! spec=SH3CFc13noe, no=251, id=238, vol=1.580000e+08
assign (segid " " and resid 51 and name HG2) (segid " " and resid 23 and name HD22) 2.909 1.058 1.058 weight 1.000 ! spec=SH3CFc13noe, no=253, id=240, vol=6.770000e+08
assign (segid " " and resid 51 and name HB2) (segid " " and resid 49 and name HG1) 2.554 0.815 0.815 weight 1.000 ! spec=SH3CFc13noe, no=254, id=241, vol=1.480000e+09
assign (segid " " and resid 51 and name HB1) (segid " " and resid 49 and name HG1) 3.451 1.489 1.489 weight 1.000 ! spec=SH3CFc13noe, no=255, id=242, vol=2.430000e+08
assign (segid " " and resid 52 and name HA) (segid " " and resid 45 and name HA) 1.949 0.475 0.475 weight 1.000 ! spec=SH3CFc13noe, no=259, id=246, vol=7.500000e+09
assign (segid " " and resid 52 and name HA) (segid " " and resid 52 and name HB1) 2.887 1.042 1.042 weight 1.000 ! spec=SH3CFc13noe, no=260, id=247, vol=7.090000e+08
assign (segid " " and resid 52 and name HA) (segid " " and resid 52 and name HB2) 2.696 0.908 0.908 weight 1.000 ! spec=SH3CFc13noe, no=261, id=248, vol=1.070000e+09
assign (segid " " and resid 45 and name HG21) (segid " " and resid 52 and name HB2) 2.726 0.929 0.929 weight 1.000 ! spec=SH3CFc13noe, no=264, id=251, vol=1.000000e+09
assign (segid " " and resid 52 and name HB1) (segid " " and resid 45 and name HG21) 3.408 1.452 1.452 weight 1.000 ! spec=SH3CFc13noe, no=265, id=252, vol=2.620000e+08
assign (segid " " and resid 52 and name HB1) (segid " " and resid 52 and name HD2) 2.770 0.959 0.959 weight 1.000 ! spec=SH3CFc13noe, no=266, id=253, vol=9.080000e+08
assign (segid " " and resid 52 and name HB2) (segid " " and resid 52 and name HD2) 2.722 0.926 0.926 weight 1.000 ! spec=SH3CFc13noe, no=267, id=254, vol=1.010000e+09
assign (segid " " and resid 53 and name HA1) (segid " " and resid 54 and name HG1) 4.246 2.253 2.253 weight 1.000 ! spec=SH3CFc13noe, no=269, id=256, vol=7.010000e+07
assign (segid " " and resid 53 and name HA1) (segid " " and resid 54 and name HG21) 3.086 1.191 1.191 weight 1.000 ! spec=SH3CFc13noe, no=270, id=257, vol=4.750000e+08
assign (segid " " and resid 43 and name HG12) (segid " " and resid 54 and name HA) 3.692 1.704 1.704 weight 1.000 ! spec=SH3CFc13noe, no=273, id=260, vol=1.620000e+08
assign (segid " " and resid 43 and name HA) (segid " " and resid 54 and name HA) 2.072 0.537 0.537 weight 1.000 ! spec=SH3CFc13noe, no=275, id=262, vol=5.190000e+09
assign (segid " " and resid 54 and name HA) (segid " " and resid 55 and name HD1) 3.158 1.247 1.247 weight 1.000 ! spec=SH3CFc13noe, no=276, id=263, vol=4.140000e+08
assign (segid " " and resid 54 and name HA) (segid " " and resid 54 and name HB) 2.276 0.648 0.648 weight 1.000 ! spec=SH3CFc13noe, no=277, id=264, vol=2.950000e+09
assign (segid " " and resid 54 and name HB) (segid " " and resid 54 and name HG21) 2.371 0.703 0.703 weight 1.000 ! spec=SH3CFc13noe, no=278, id=265, vol=2.310000e+09
assign (segid " " and resid 54 and name HB) (segid " " and resid 43 and name HG12) 3.589 1.610 1.610 weight 1.000 ! spec=SH3CFc13noe, no=279, id=266, vol=1.920000e+08
or (segid " " and resid 54 and name HB) (segid " " and resid 43 and name HG11)
or (segid " " and resid 54 and name HB) (segid " " and resid 43 and name HG13)
assign (segid " " and resid 54 and name HA) (segid " " and resid 54 and name HG21) 2.801 0.981 0.981 weight 1.000 ! spec=SH3CFc13noe, no=280, id=267, vol=8.500000e+08
assign (segid " " and resid 54 and name HG21) (segid " " and resid 54 and name HG1) 2.423 0.734 0.734 weight 1.000 ! spec=SH3CFc13noe, no=281, id=268, vol=2.030000e+09
assign (segid " " and resid 55 and name HA) (segid " " and resid 56 and name HD2) 2.270 0.644 0.644 weight 1.000 ! spec=SH3CFc13noe, no=283, id=270, vol=3.000000e+09
assign (segid " " and resid 55 and name HB2) (segid " " and resid 55 and name HA) 2.835 1.005 1.005 weight 1.000 ! spec=SH3CFc13noe, no=284, id=271, vol=7.910000e+08
assign (segid " " and resid 55 and name HB2) (segid " " and resid 55 and name HD1) 2.765 0.956 0.956 weight 1.000 ! spec=SH3CFc13noe, no=285, id=272, vol=9.180000e+08
assign (segid " " and resid 55 and name HB1) (segid " " and resid 55 and name HB2) 2.476 0.767 0.767 weight 1.000 ! spec=SH3CFc13noe, no=286, id=273, vol=1.780000e+09
assign (segid " " and resid 55 and name HA) (segid " " and resid 55 and name HB1) 2.001 0.501 0.501 weight 1.000 ! spec=SH3CFc13noe, no=287, id=274, vol=6.390000e+09
assign (segid " " and resid 55 and name HB1) (segid " " and resid 55 and name HD1) 2.232 0.623 0.623 weight 1.000 ! spec=SH3CFc13noe, no=288, id=275, vol=3.320000e+09
assign (segid " " and resid 56 and name HA) (segid " " and resid 41 and name HA) 2.320 0.673 0.673 weight 1.000 ! spec=SH3CFc13noe, no=290, id=277, vol=2.630000e+09
assign (segid " " and resid 56 and name HA) (segid " " and resid 55 and name HD1) 4.406 2.427 2.427 weight 1.000 ! spec=SH3CFc13noe, no=291, id=278, vol=5.610000e+07
assign (segid " " and resid 56 and name HA) (segid " " and resid 57 and name HN) 2.203 0.607 0.607 weight 1.000 ! spec=SH3CFc13noe, no=292, id=279, vol=3.590000e+09
assign (segid " " and resid 56 and name HB2) (segid " " and resid 56 and name HA) 2.474 0.765 0.765 weight 1.000 ! spec=SH3CFc13noe, no=294, id=281, vol=1.790000e+09
assign (segid " " and resid 56 and name HG2) (segid " " and resid 56 and name HD1) 2.919 1.065 1.065 weight 1.000 ! spec=SH3CFc13noe, no=296, id=283, vol=6.640000e+08
assign (segid " " and resid 57 and name HA1) (segid " " and resid 57 and name HN) 2.282 0.651 0.651 weight 1.000 ! spec=SH3CFc13noe, no=304, id=291, vol=2.910000e+09
assign (segid " " and resid 59 and name HA) (segid " " and resid 59 and name HB2) 2.853 1.018 1.018 weight 1.000 ! spec=SH3CFc13noe, no=306, id=293, vol=7.610000e+08
assign (segid " " and resid 59 and name HA) (segid " " and resid 59 and name HB1) 2.898 1.050 1.050 weight 1.000 ! spec=SH3CFc13noe, no=309, id=296, vol=6.930000e+08
assign (segid " " and resid 59 and name HB1) (segid " " and resid 25 and name HD12) 3.029 1.147 1.147 weight 1.000 ! spec=SH3CFc13noe, no=310, id=297, vol=5.320000e+08
or (segid " " and resid 59 and name HB1) (segid " " and resid 25 and name HD11)
or (segid " " and resid 59 and name HB1) (segid " " and resid 25 and name HD13)
assign (segid " " and resid 59 and name HB2) (segid " " and resid 25 and name HD12) 3.039 1.155 1.155 weight 1.000 ! spec=SH3CFc13noe, no=311, id=298, vol=5.210000e+08
or (segid " " and resid 59 and name HB2) (segid " " and resid 25 and name HD11)
or (segid " " and resid 59 and name HB2) (segid " " and resid 25 and name HD13)
assign (segid " " and resid 59 and name HB2) (segid " " and resid 60 and name HG12) 3.365 1.415 1.415 weight 1.000 ! spec=SH3CFc13noe, no=312, id=299, vol=2.830000e+08
assign (segid " " and resid 60 and name HA) (segid " " and resid 60 and name HB) 2.315 0.670 0.670 weight 1.000 ! spec=SH3CFc13noe, no=313, id=300, vol=2.670000e+09
assign (segid " " and resid 60 and name HB) (segid " " and resid 60 and name HG22) 2.025 0.513 0.513 weight 1.000 ! spec=SH3CFc13noe, no=316, id=303, vol=5.950000e+09
assign (segid " " and resid 60 and name HB) (segid " " and resid 60 and name HG12) 2.028 0.514 0.514 weight 1.000 ! spec=SH3CFc13noe, no=317, id=304, vol=5.910000e+09
assign (segid " " and resid 60 and name HB) (segid " " and resid 9 and name HD1) 2.511 0.788 0.788 weight 1.000 ! spec=SH3CFc13noe, no=319, id=306, vol=1.640000e+09
assign (segid " " and resid 60 and name HA) (segid " " and resid 60 and name HG22) 2.773 0.961 0.961 weight 1.000 ! spec=SH3CFc13noe, no=320, id=307, vol=9.040000e+08
assign (segid " " and resid 33 and name HG22) (segid " " and resid 33 and name HB) 2.175 0.591 0.591 weight 1.000 ! spec=SH3CFc13noe, no=321, id=308, vol=3.880000e+09
assign (segid " " and resid 61 and name HA) (segid " " and resid 62 and name HD1) 1.681 0.353 0.353 weight 1.000 ! spec=SH3CFc13noe, no=323, id=310, vol=1.820000e+10
assign (segid " " and resid 61 and name HB1) (segid " " and resid 61 and name HA) 1.879 0.441 0.441 weight 1.000 ! spec=SH3CFc13noe, no=326, id=313, vol=9.330000e+09
assign (segid " " and resid 61 and name HA) (segid " " and resid 12 and name HD12) 3.170 1.256 1.256 weight 1.000 ! spec=SH3CFc13noe, no=327, id=314, vol=4.050000e+08
assign (segid " " and resid 50 and name HB2) (segid " " and resid 50 and name HA) 2.298 0.660 0.660 weight 1.000 ! spec=SH3CFc13noe, no=328, id=315, vol=2.790000e+09
assign (segid " " and resid 61 and name HB1) (segid " " and resid 61 and name HG1) 3.171 1.257 1.257 weight 1.000 ! spec=SH3CFc13noe, no=331, id=318, vol=4.040000e+08
assign (segid " " and resid 61 and name HB2) (segid " " and resid 61 and name HG1) 3.533 1.561 1.561 weight 1.000 ! spec=SH3CFc13noe, no=332, id=319, vol=2.110000e+08
assign (segid " " and resid 61 and name HB1) (segid " " and resid 61 and name HG2) 2.623 0.860 0.860 weight 1.000 ! spec=SH3CFc13noe, no=333, id=320, vol=1.260000e+09
assign (segid " " and resid 61 and name HB2) (segid " " and resid 61 and name HG2) 2.557 0.817 0.817 weight 1.000 ! spec=SH3CFc13noe, no=334, id=321, vol=1.470000e+09
assign (segid " " and resid 62 and name HA) (segid " " and resid 9 and name HA) 2.613 0.853 0.853 weight 1.000 ! spec=SH3CFc13noe, no=335, id=322, vol=1.290000e+09
assign (segid " " and resid 62 and name HA) (segid " " and resid 63 and name HN) 2.106 0.555 0.555 weight 1.000 ! spec=SH3CFc13noe, no=336, id=323, vol=4.700000e+09
assign (segid " " and resid 62 and name HA) (segid " " and resid 62 and name HB1) 2.263 0.640 0.640 weight 1.000 ! spec=SH3CFc13noe, no=338, id=325, vol=3.060000e+09
assign (segid " " and resid 62 and name HA) (segid " " and resid 62 and name HG1) 2.998 1.124 1.124 weight 1.000 ! spec=SH3CFc13noe, no=339, id=326, vol=5.650000e+08
assign (segid " " and resid 62 and name HA) (segid " " and resid 9 and name HB1) 3.032 1.149 1.149 weight 1.000 ! spec=SH3CFc13noe, no=340, id=327, vol=5.290000e+08
assign (segid " " and resid 17 and name HD1) (segid " " and resid 16 and name HA) 2.481 0.770 0.770 weight 1.000 ! spec=SH3CFc13noe, no=341, id=328, vol=1.760000e+09
assign (segid " " and resid 61 and name HA) (segid " " and resid 62 and name HD2) 2.221 0.617 0.617 weight 1.000 ! spec=SH3CFc13noe, no=342, id=329, vol=3.420000e+09
assign (segid " " and resid 62 and name HA) (segid " " and resid 62 and name HB2) 2.168 0.588 0.588 weight 1.000 ! spec=SH3CFc13noe, no=344, id=331, vol=3.950000e+09
assign (segid " " and resid 24 and name HG2) (segid " " and resid 17 and name HD1) 3.117 1.214 1.214 weight 1.000 ! spec=SH3CFc13noe, no=345, id=332, vol=4.480000e+08
assign (segid " " and resid 65 and name HB1) (segid " " and resid 5 and name HA) 3.365 1.415 1.415 weight 1.000 ! spec=SH3CFc13noe, no=346, id=333, vol=2.830000e+08
assign (segid " " and resid 6 and name HB1) (segid " " and resid 6 and name HD12) 3.150 1.241 1.241 weight 1.000 ! spec=SH3CFc13noe, no=347, id=334, vol=4.200000e+08
assign (segid " " and resid 6 and name HB1) (segid " " and resid 7 and name HN) 3.262 1.330 1.330 weight 1.000 ! spec=SH3CFc13noe, no=348, id=335, vol=3.410000e+08
assign (segid " " and resid 65 and name HB2) (segid " " and resid 65 and name HA) 2.069 0.535 0.535 weight 1.000 ! spec=SH3CFc13noe, no=349, id=336, vol=5.230000e+09
assign (segid " " and resid 63 and name HB1) (segid " " and resid 63 and name HA) 2.465 0.760 0.760 weight 1.000 ! spec=SH3CFc13noe, no=350, id=337, vol=1.830000e+09
assign (segid " " and resid 63 and name HG) (segid " " and resid 63 and name HA) 2.491 0.775 0.775 weight 1.000 ! spec=SH3CFc13noe, no=352, id=339, vol=1.720000e+09
assign (segid " " and resid 63 and name HA) (segid " " and resid 64 and name HN) 2.181 0.595 0.595 weight 1.000 ! spec=SH3CFc13noe, no=355, id=342, vol=3.810000e+09
assign (segid " " and resid 63 and name HA) (segid " " and resid 63 and name HD12) 3.470 1.506 1.506 weight 1.000 ! spec=SH3CFc13noe, no=356, id=343, vol=2.350000e+08
assign (segid " " and resid 64 and name HB1) (segid " " and resid 64 and name HA) 2.310 0.667 0.667 weight 1.000 ! spec=SH3CFc13noe, no=357, id=344, vol=2.700000e+09
assign (segid " " and resid 64 and name HB2) (segid " " and resid 64 and name HA) 2.342 0.685 0.685 weight 1.000 ! spec=SH3CFc13noe, no=358, id=345, vol=2.490000e+09
assign (segid " " and resid 5 and name HB2) (segid " " and resid 5 and name HA) 2.398 0.719 0.719 weight 1.000 ! spec=SH3CFc13noe, no=359, id=346, vol=2.160000e+09
assign (segid " " and resid 4 and name HA) (segid " " and resid 4 and name HG2) 3.234 1.307 1.307 weight 1.000 ! spec=SH3CFc13noe, no=360, id=347, vol=3.590000e+08
assign (segid " " and resid 4 and name HB1) (segid " " and resid 4 and name HA) 2.348 0.689 0.689 weight 1.000 ! spec=SH3CFc13noe, no=361, id=348, vol=2.450000e+09
assign (segid " " and resid 22 and name HG1) (segid " " and resid 22 and name HA) 3.134 1.228 1.228 weight 1.000 ! spec=SH3CFc13noe, no=363, id=350, vol=4.330000e+08
assign (segid " " and resid 31 and name HG12) (segid " " and resid 31 and name HB) 2.616 0.856 0.856 weight 1.000 ! spec=SH3CFc13noe, no=368, id=355, vol=1.280000e+09
assign (segid " " and resid 3 and name HA) (segid " " and resid 3 and name HB2) 2.207 0.609 0.609 weight 1.000 ! spec=SH3CFc13noe, no=369, id=356, vol=3.550000e+09
assign (segid " " and resid 14 and name HA) (segid " " and resid 25 and name HB2) 2.772 0.961 0.961 weight 1.000 ! spec=SH3CFc13noe, no=370, id=357, vol=9.050000e+08
assign (segid " " and resid 3 and name HA) (segid " " and resid 6 and name HB2) 3.435 1.475 1.475 weight 1.000 ! spec=SH3CFc13noe, no=371, id=358, vol=2.500000e+08
assign (segid " " and resid 3 and name HA) (segid " " and resid 3 and name HN) 2.364 0.699 0.699 weight 1.000 ! spec=SH3CFc13noe, no=372, id=359, vol=2.350000e+09
assign (segid " " and resid 14 and name HA) (segid " " and resid 27 and name HN) 2.131 0.568 0.568 weight 1.000 ! spec=SH3CFc13noe, no=374, id=361, vol=4.380000e+09
assign (segid " " and resid 14 and name HA) (segid " " and resid 26 and name HA) 2.376 0.706 0.706 weight 1.000 ! spec=SH3CFc13noe, no=375, id=362, vol=2.280000e+09
assign (segid " " and resid 43 and name HG22) (segid " " and resid 54 and name HA) 3.262 1.330 1.330 weight 1.000 ! spec=SH3CFc13noe, no=376, id=363, vol=3.410000e+08
assign (segid " " and resid 46 and name HB1) (segid " " and resid 23 and name HG) 3.583 1.605 1.605 weight 1.000 ! spec=SH3CFc13noe, no=377, id=364, vol=1.940000e+08
assign (segid " " and resid 46 and name HB1) (segid " " and resid 23 and name HD22) 2.652 0.879 0.879 weight 1.000 ! spec=SH3CFc13noe, no=378, id=365, vol=1.180000e+09
assign (segid " " and resid 46 and name HB1) (segid " " and resid 51 and name HN) 2.751 0.946 0.946 weight 1.000 ! spec=SH3CFc13noe, no=379, id=366, vol=9.470000e+08
assign (segid " " and resid 14 and name HB1) (segid " " and resid 15 and name HN) 2.627 0.862 0.862 weight 1.000 ! spec=SH3CFc13noe, no=380, id=367, vol=1.250000e+09
assign (segid " " and resid 14 and name HB1) (segid " " and resid 14 and name HN) 2.738 0.937 0.937 weight 1.000 ! spec=SH3CFc13noe, no=381, id=368, vol=9.740000e+08
assign (segid " " and resid 4 and name HB2) (segid " " and resid 4 and name HA) 3.689 1.701 1.701 weight 1.000 ! spec=SH3CFc13noe, no=386, id=372, vol=1.630000e+08
assign (segid " " and resid 6 and name HB2) (segid " " and resid 6 and name HN) 2.325 0.676 0.676 weight 1.000 ! spec=SH3CFc13noe, no=389, id=375, vol=2.600000e+09
assign (segid " " and resid 6 and name HB1) (segid " " and resid 6 and name HN) 2.022 0.511 0.511 weight 1.000 ! spec=SH3CFc13noe, no=390, id=376, vol=6.000000e+09
assign (segid " " and resid 6 and name HD22) (segid " " and resid 6 and name HA) 3.168 1.255 1.255 weight 1.000 ! spec=SH3CFc13noe, no=391, id=377, vol=4.060000e+08
assign (segid " " and resid 7 and name HB2) (segid " " and resid 7 and name HA) 2.827 0.999 0.999 weight 1.000 ! spec=SH3CFc13noe, no=392, id=378, vol=8.050000e+08
assign (segid " " and resid 7 and name HB1) (segid " " and resid 7 and name HA) 2.938 1.079 1.079 weight 1.000 ! spec=SH3CFc13noe, no=393, id=379, vol=6.390000e+08
assign (segid " " and resid 7 and name HB1) (segid " " and resid 7 and name HD2) 2.869 1.029 1.029 weight 1.000 ! spec=SH3CFc13noe, no=394, id=380, vol=7.360000e+08
assign (segid " " and resid 7 and name HB1) (segid " " and resid 7 and name HE2) 3.887 1.889 1.889 weight 1.000 ! spec=SH3CFc13noe, no=395, id=381, vol=1.190000e+08
assign (segid " " and resid 7 and name HB2) (segid " " and resid 7 and name HE2) 3.939 1.939 1.939 weight 1.000 ! spec=SH3CFc13noe, no=396, id=382, vol=1.100000e+08
assign (segid " " and resid 7 and name HB1) (segid " " and resid 8 and name HN) 2.948 1.086 1.086 weight 1.000 ! spec=SH3CFc13noe, no=397, id=383, vol=6.260000e+08
assign (segid " " and resid 7 and name HB2) (segid " " and resid 8 and name HN) 3.310 1.370 1.370 weight 1.000 ! spec=SH3CFc13noe, no=398, id=384, vol=3.120000e+08
assign (segid " " and resid 7 and name HB1) (segid " " and resid 7 and name HB2) 2.208 0.610 0.610 weight 1.000 ! spec=SH3CFc13noe, no=399, id=385, vol=3.540000e+09
assign (segid " " and resid 8 and name HA) (segid " " and resid 9 and name HD1) 3.945 1.945 1.945 weight 1.000 ! spec=SH3CFc13noe, no=401, id=387, vol=1.090000e+08
assign (segid " " and resid 8 and name HA) (segid " " and resid 9 and name HN) 2.382 0.709 0.709 weight 1.000 ! spec=SH3CFc13noe, no=404, id=390, vol=2.250000e+09
assign (segid " " and resid 8 and name HA) (segid " " and resid 9 and name HB1) 4.597 2.642 2.642 weight 1.000 ! spec=SH3CFc13noe, no=406, id=392, vol=4.350000e+07
assign (segid " " and resid 8 and name HA) (segid " " and resid 8 and name HB2) 2.792 0.975 0.975 weight 1.000 ! spec=SH3CFc13noe, no=407, id=393, vol=8.660000e+08
assign (segid " " and resid 8 and name HA) (segid " " and resid 8 and name HB1) 2.873 1.032 1.032 weight 1.000 ! spec=SH3CFc13noe, no=408, id=394, vol=7.300000e+08
assign (segid " " and resid 8 and name HB2) (segid " " and resid 30 and name HG22) 3.085 1.190 1.190 weight 1.000 ! spec=SH3CFc13noe, no=411, id=396, vol=4.760000e+08
or (segid " " and resid 8 and name HB2) (segid " " and resid 30 and name HG21)
or (segid " " and resid 8 and name HB2) (segid " " and resid 30 and name HG23)
assign (segid " " and resid 8 and name HB2) (segid " " and resid 63 and name HD12) 3.162 1.250 1.250 weight 1.000 ! spec=SH3CFc13noe, no=412, id=397, vol=4.110000e+08
assign (segid " " and resid 8 and name HB1) (segid " " and resid 63 and name HB2) 3.568 1.591 1.591 weight 1.000 ! spec=SH3CFc13noe, no=413, id=398, vol=1.990000e+08
assign (segid " " and resid 8 and name HB1) (segid " " and resid 63 and name HB1) 2.383 0.710 0.710 weight 1.000 ! spec=SH3CFc13noe, no=414, id=399, vol=2.240000e+09
assign (segid " " and resid 8 and name HB2) (segid " " and resid 63 and name HB2) 3.963 1.963 1.963 weight 1.000 ! spec=SH3CFc13noe, no=415, id=400, vol=1.060000e+08
assign (segid " " and resid 8 and name HB2) (segid " " and resid 63 and name HB1) 3.806 1.811 1.811 weight 1.000 ! spec=SH3CFc13noe, no=416, id=401, vol=1.350000e+08
assign (segid " " and resid 8 and name HB2) (segid " " and resid 8 and name HN) 3.172 1.258 1.258 weight 1.000 ! spec=SH3CFc13noe, no=420, id=405, vol=4.030000e+08
assign (segid " " and resid 9 and name HA) (segid " " and resid 9 and name HD1) 3.283 1.347 1.347 weight 1.000 ! spec=SH3CFc13noe, no=421, id=406, vol=3.280000e+08
assign (segid " " and resid 9 and name HA) (segid " " and resid 9 and name HB1) 2.429 0.737 0.737 weight 1.000 ! spec=SH3CFc13noe, no=422, id=407, vol=2.000000e+09
assign (segid " " and resid 63 and name HG) (segid " " and resid 9 and name HA) 2.819 0.993 0.993 weight 1.000 ! spec=SH3CFc13noe, no=423, id=408, vol=8.180000e+08
assign (segid " " and resid 9 and name HA) (segid " " and resid 63 and name HD12) 2.613 0.853 0.853 weight 1.000 ! spec=SH3CFc13noe, no=424, id=409, vol=1.290000e+09
assign (segid " " and resid 9 and name HA) (segid " " and resid 63 and name HN) 2.590 0.839 0.839 weight 1.000 ! spec=SH3CFc13noe, no=425, id=410, vol=1.360000e+09
assign (segid " " and resid 9 and name HB2) (segid " " and resid 9 and name HE1) 3.667 1.680 1.680 weight 1.000 ! spec=SH3CFc13noe, no=426, id=411, vol=1.690000e+08
assign (segid " " and resid 9 and name HB2) (segid " " and resid 9 and name HD1) 6.748 5.691 5.691 weight 1.000 ! spec=SH3CFc13noe, no=427, id=412, vol=4.350000e+06
assign (segid " " and resid 9 and name HB1) (segid " " and resid 9 and name HD1) 2.458 0.755 0.755 weight 1.000 ! spec=SH3CFc13noe, no=428, id=413, vol=1.860000e+09
assign (segid " " and resid 9 and name HB1) (segid " " and resid 9 and name HE1) 3.583 1.605 1.605 weight 1.000 ! spec=SH3CFc13noe, no=429, id=414, vol=1.940000e+08
assign (segid " " and resid 9 and name HB2) (segid " " and resid 60 and name HG22) 6.961 6.056 6.056 weight 1.000 ! spec=SH3CFc13noe, no=430, id=415, vol=3.610000e+06
assign (segid " " and resid 9 and name HB1) (segid " " and resid 60 and name HG22) 3.225 1.300 1.300 weight 1.000 ! spec=SH3CFc13noe, no=431, id=416, vol=3.650000e+08
assign (segid " " and resid 9 and name HB2) (segid " " and resid 60 and name HG12) 3.011 1.133 1.133 weight 1.000 ! spec=SH3CFc13noe, no=433, id=418, vol=5.510000e+08
assign (segid " " and resid 30 and name HA) (segid " " and resid 10 and name HA) 2.768 0.958 0.958 weight 1.000 ! spec=SH3CFc13noe, no=436, id=421, vol=9.120000e+08
assign (segid " " and resid 10 and name HA) (segid " " and resid 11 and name HN) 2.371 0.703 0.703 weight 1.000 ! spec=SH3CFc13noe, no=437, id=422, vol=2.310000e+09
assign (segid " " and resid 10 and name HA) (segid " " and resid 31 and name HN) 2.521 0.794 0.794 weight 1.000 ! spec=SH3CFc13noe, no=438, id=423, vol=1.600000e+09
assign (segid " " and resid 10 and name HA) (segid " " and resid 10 and name HG2) 2.210 0.611 0.611 weight 1.000 ! spec=SH3CFc13noe, no=439, id=424, vol=3.520000e+09
assign (segid " " and resid 10 and name HA) (segid " " and resid 30 and name HG12) 2.991 1.119 1.119 weight 1.000 ! spec=SH3CFc13noe, no=440, id=425, vol=5.730000e+08
assign (segid " " and resid 10 and name HA) (segid " " and resid 11 and name HB2) 3.254 1.323 1.323 weight 1.000 ! spec=SH3CFc13noe, no=441, id=426, vol=3.460000e+08
assign (segid " " and resid 10 and name HA) (segid " " and resid 30 and name HD12) 3.086 1.191 1.191 weight 1.000 ! spec=SH3CFc13noe, no=442, id=427, vol=4.750000e+08
assign (segid " " and resid 10 and name HA) (segid " " and resid 30 and name HG11) 2.773 0.961 0.961 weight 1.000 ! spec=SH3CFc13noe, no=443, id=428, vol=9.030000e+08
assign (segid " " and resid 10 and name HB2) (segid " " and resid 10 and name HA) 2.722 0.926 0.926 weight 1.000 ! spec=SH3CFc13noe, no=444, id=429, vol=1.010000e+09
assign (segid " " and resid 10 and name HB1) (segid " " and resid 10 and name HA) 2.613 0.853 0.853 weight 1.000 ! spec=SH3CFc13noe, no=445, id=430, vol=1.290000e+09
assign (segid " " and resid 10 and name HB1) (segid " " and resid 63 and name HD12) 3.774 1.781 1.781 weight 1.000 ! spec=SH3CFc13noe, no=446, id=431, vol=1.420000e+08
assign (segid " " and resid 10 and name HB2) (segid " " and resid 63 and name HD12) 3.116 1.213 1.213 weight 1.000 ! spec=SH3CFc13noe, no=447, id=432, vol=4.490000e+08
assign (segid " " and resid 26 and name HD1) (segid " " and resid 26 and name HB2) 3.522 1.551 1.551 weight 1.000 ! spec=SH3CFc13noe, no=449, id=434, vol=2.150000e+08
assign (segid " " and resid 10 and name HG2) (segid " " and resid 11 and name HB2) 2.984 1.113 1.113 weight 1.000 ! spec=SH3CFc13noe, no=455, id=439, vol=5.820000e+08
assign (segid " " and resid 10 and name HG2) (segid " " and resid 61 and name HG1) 3.172 1.258 1.258 weight 1.000 ! spec=SH3CFc13noe, no=456, id=440, vol=4.030000e+08
assign (segid " " and resid 11 and name HA) (segid " " and resid 60 and name HA) 1.721 0.370 0.370 weight 1.000 ! spec=SH3CFc13noe, no=461, id=444, vol=1.580000e+10
assign (segid " " and resid 11 and name HB2) (segid " " and resid 29 and name HB2) 3.077 1.183 1.183 weight 1.000 ! spec=SH3CFc13noe, no=463, id=446, vol=4.840000e+08
assign (segid " " and resid 11 and name HB2) (segid " " and resid 28 and name HA1) 2.965 1.099 1.099 weight 1.000 ! spec=SH3CFc13noe, no=465, id=448, vol=6.040000e+08
assign (segid " " and resid 11 and name HA) (segid " " and resid 11 and name HB2) 2.540 0.806 0.806 weight 1.000 ! spec=SH3CFc13noe, no=466, id=449, vol=1.530000e+09
assign (segid " " and resid 11 and name HB2) (segid " " and resid 12 and name HN) 3.044 1.158 1.158 weight 1.000 ! spec=SH3CFc13noe, no=469, id=452, vol=5.160000e+08
assign (segid " " and resid 11 and name HB2) (segid " " and resid 28 and name HN) 2.671 0.892 0.892 weight 1.000 ! spec=SH3CFc13noe, no=471, id=454, vol=1.130000e+09
assign (segid " " and resid 11 and name HB2) (segid " " and resid 10 and name HG1) 3.451 1.489 1.489 weight 1.000 ! spec=SH3CFc13noe, no=477, id=458, vol=2.430000e+08
assign (segid " " and resid 59 and name HA) (segid " " and resid 12 and name HB2) 2.394 0.717 0.717 weight 1.000 ! spec=SH3CFc13noe, no=478, id=459, vol=2.180000e+09
assign (segid " " and resid 59 and name HA) (segid " " and resid 12 and name HD12) 2.375 0.705 0.705 weight 1.000 ! spec=SH3CFc13noe, no=479, id=460, vol=2.290000e+09
assign (segid " " and resid 47 and name HA) (segid " " and resid 46 and name HB1) 3.659 1.674 1.674 weight 1.000 ! spec=SH3CFc13noe, no=480, id=461, vol=1.710000e+08
assign (segid " " and resid 59 and name HA) (segid " " and resid 59 and name HD1) 3.550 1.576 1.576 weight 1.000 ! spec=SH3CFc13noe, no=481, id=462, vol=2.050000e+08
assign (segid " " and resid 12 and name HA) (segid " " and resid 12 and name HD22) 2.233 0.623 0.623 weight 1.000 ! spec=SH3CFc13noe, no=482, id=463, vol=3.310000e+09
assign (segid " " and resid 12 and name HA) (segid " " and resid 12 and name HB2) 2.944 1.083 1.083 weight 1.000 ! spec=SH3CFc13noe, no=483, id=464, vol=6.310000e+08
assign (segid " " and resid 12 and name HA) (segid " " and resid 27 and name HA) 3.377 1.425 1.425 weight 1.000 ! spec=SH3CFc13noe, no=485, id=466, vol=2.770000e+08
assign (segid " " and resid 12 and name HA) (segid " " and resid 12 and name HN) 2.993 1.120 1.120 weight 1.000 ! spec=SH3CFc13noe, no=486, id=467, vol=5.710000e+08
assign (segid " " and resid 12 and name HB2) (segid " " and resid 12 and name HG) 2.945 1.084 1.084 weight 1.000 ! spec=SH3CFc13noe, no=487, id=468, vol=6.300000e+08
assign (segid " " and resid 12 and name HB1) (segid " " and resid 12 and name HG) 3.121 1.218 1.218 weight 1.000 ! spec=SH3CFc13noe, no=488, id=469, vol=4.440000e+08
assign (segid " " and resid 12 and name HB1) (segid " " and resid 12 and name HB2) 2.331 0.679 0.679 weight 1.000 ! spec=SH3CFc13noe, no=489, id=470, vol=2.560000e+09
assign (segid " " and resid 12 and name HB1) (segid " " and resid 12 and name HA) 2.905 1.055 1.055 weight 1.000 ! spec=SH3CFc13noe, no=493, id=473, vol=6.830000e+08
assign (segid " " and resid 12 and name HB1) (segid " " and resid 13 and name HD1) 2.483 0.771 0.771 weight 1.000 ! spec=SH3CFc13noe, no=494, id=474, vol=1.750000e+09
assign (segid " " and resid 12 and name HB2) (segid " " and resid 13 and name HD1) 2.726 0.929 0.929 weight 1.000 ! spec=SH3CFc13noe, no=495, id=475, vol=1.000000e+09
assign (segid " " and resid 12 and name HB1) (segid " " and resid 13 and name HN) 2.988 1.116 1.116 weight 1.000 ! spec=SH3CFc13noe, no=497, id=477, vol=5.770000e+08
assign (segid " " and resid 12 and name HB2) (segid " " and resid 12 and name HD12) 2.403 0.722 0.722 weight 1.000 ! spec=SH3CFc13noe, no=498, id=478, vol=2.130000e+09
assign (segid " " and resid 12 and name HB1) (segid " " and resid 12 and name HD12) 2.863 1.025 1.025 weight 1.000 ! spec=SH3CFc13noe, no=499, id=479, vol=7.450000e+08
assign (segid " " and resid 12 and name HD12) (segid " " and resid 12 and name HA) 3.397 1.443 1.443 weight 1.000 ! spec=SH3CFc13noe, no=500, id=480, vol=2.670000e+08
assign (segid " " and resid 12 and name HD12) (segid " " and resid 11 and name HA) 4.087 2.088 2.088 weight 1.000 ! spec=SH3CFc13noe, no=502, id=482, vol=8.810000e+07
assign (segid " " and resid 12 and name HD12) (segid " " and resid 60 and name HA) 2.652 0.879 0.879 weight 1.000 ! spec=SH3CFc13noe, no=503, id=483, vol=1.180000e+09
assign (segid " " and resid 12 and name HD12) (segid " " and resid 13 and name HN) 3.548 1.573 1.573 weight 1.000 ! spec=SH3CFc13noe, no=504, id=484, vol=2.060000e+08
assign (segid " " and resid 12 and name HD12) (segid " " and resid 13 and name HD1) 3.353 1.405 1.405 weight 1.000 ! spec=SH3CFc13noe, no=505, id=485, vol=2.890000e+08
assign (segid " " and resid 12 and name HD12) (segid " " and resid 60 and name HN) 2.067 0.534 0.534 weight 1.000 ! spec=SH3CFc13noe, no=507, id=486, vol=5.260000e+09
assign (segid " " and resid 13 and name HB2) (segid " " and resid 13 and name HD1) 2.729 0.931 0.931 weight 1.000 ! spec=SH3CFc13noe, no=508, id=487, vol=9.930000e+08
assign (segid " " and resid 13 and name HB1) (segid " " and resid 13 and name HD1) 1.986 0.493 0.493 weight 1.000 ! spec=SH3CFc13noe, no=509, id=488, vol=6.700000e+09
assign (segid " " and resid 13 and name HB1) (segid " " and resid 13 and name HE1) 3.670 1.684 1.684 weight 1.000 ! spec=SH3CFc13noe, no=510, id=489, vol=1.680000e+08
assign (segid " " and resid 48 and name HG1) (segid " " and resid 48 and name HD2) 2.938 1.079 1.079 weight 1.000 ! spec=SH3CFc13noe, no=511, id=490, vol=6.380000e+08
assign (segid " " and resid 13 and name HB1) (segid " " and resid 13 and name HB2) 2.221 0.617 0.617 weight 1.000 ! spec=SH3CFc13noe, no=512, id=491, vol=3.420000e+09
assign (segid " " and resid 13 and name HB2) (segid " " and resid 13 and name HA) 2.656 0.882 0.882 weight 1.000 ! spec=SH3CFc13noe, no=514, id=493, vol=1.170000e+09
assign (segid " " and resid 13 and name HB1) (segid " " and resid 13 and name HA) 2.476 0.767 0.767 weight 1.000 ! spec=SH3CFc13noe, no=515, id=494, vol=1.780000e+09
assign (segid " " and resid 12 and name HD12) (segid " " and resid 61 and name HD2) 3.635 1.652 1.652 weight 1.000 ! spec=SH3CFc13noe, no=518, id=497, vol=1.780000e+08
assign (segid " " and resid 12 and name HD12) (segid " " and resid 61 and name HB1) 3.243 1.315 1.315 weight 1.000 ! spec=SH3CFc13noe, no=519, id=498, vol=3.530000e+08
assign (segid " " and resid 12 and name HD12) (segid " " and resid 61 and name HB2) 4.670 2.726 2.726 weight 1.000 ! spec=SH3CFc13noe, no=520, id=499, vol=3.960000e+07
assign (segid " " and resid 12 and name HD12) (segid " " and resid 12 and name HG) 1.863 0.434 0.434 weight 1.000 ! spec=SH3CFc13noe, no=521, id=500, vol=9.830000e+09
assign (segid " " and resid 12 and name HD12) (segid " " and resid 61 and name HE2) 3.192 1.274 1.274 weight 1.000 ! spec=SH3CFc13noe, no=523, id=501, vol=3.880000e+08
assign (segid " " and resid 12 and name HA) (segid " " and resid 12 and name HG) 2.022 0.511 0.511 weight 1.000 ! spec=SH3CFc13noe, no=527, id=504, vol=6.010000e+09
assign (segid " " and resid 11 and name HA) (segid " " and resid 12 and name HG) 3.328 1.385 1.385 weight 1.000 ! spec=SH3CFc13noe, no=528, id=505, vol=3.020000e+08
assign (segid " " and resid 12 and name HG) (segid " " and resid 61 and name HN) 3.589 1.610 1.610 weight 1.000 ! spec=SH3CFc13noe, no=532, id=509, vol=1.920000e+08
assign (segid " " and resid 13 and name HB2) (segid " " and resid 13 and name HE1) 4.902 3.003 3.003 weight 1.000 ! spec=SH3CFc13noe, no=535, id=512, vol=2.960000e+07
assign (segid " " and resid 13 and name HB2) (segid " " and resid 13 and name HN) 3.038 1.154 1.154 weight 1.000 ! spec=SH3CFc13noe, no=536, id=513, vol=5.220000e+08
assign (segid " " and resid 14 and name HA) (segid " " and resid 27 and name HB1) 3.645 1.661 1.661 weight 1.000 ! spec=SH3CFc13noe, no=538, id=515, vol=1.750000e+08
assign (segid " " and resid 14 and name HA) (segid " " and resid 27 and name HB2) 3.102 1.203 1.203 weight 1.000 ! spec=SH3CFc13noe, no=539, id=516, vol=4.610000e+08
assign (segid " " and resid 46 and name HB2) (segid " " and resid 51 and name HN) 2.593 0.841 0.841 weight 1.000 ! spec=SH3CFc13noe, no=540, id=517, vol=1.350000e+09
assign (segid " " and resid 52 and name HB2) (segid " " and resid 53 and name HN) 2.967 1.100 1.100 weight 1.000 ! spec=SH3CFc13noe, no=542, id=519, vol=6.020000e+08
assign (segid " " and resid 52 and name HB1) (segid " " and resid 51 and name HA) 3.117 1.214 1.214 weight 1.000 ! spec=SH3CFc13noe, no=543, id=520, vol=4.480000e+08
assign (segid " " and resid 52 and name HB2) (segid " " and resid 51 and name HA) 3.334 1.389 1.389 weight 1.000 ! spec=SH3CFc13noe, no=544, id=521, vol=2.990000e+08
assign (segid " " and resid 52 and name HA) (segid " " and resid 23 and name HG) 3.545 1.571 1.571 weight 1.000 ! spec=SH3CFc13noe, no=545, id=522, vol=2.070000e+08
assign (segid " " and resid 52 and name HA) (segid " " and resid 23 and name HD22) 3.091 1.194 1.194 weight 1.000 ! spec=SH3CFc13noe, no=546, id=523, vol=4.710000e+08
assign (segid " " and resid 52 and name HA) (segid " " and resid 45 and name HG21) 3.192 1.274 1.274 weight 1.000 ! spec=SH3CFc13noe, no=547, id=524, vol=3.880000e+08
assign (segid " " and resid 52 and name HA) (segid " " and resid 45 and name HB) 3.753 1.760 1.760 weight 1.000 ! spec=SH3CFc13noe, no=548, id=525, vol=1.470000e+08
assign (segid " " and resid 52 and name HA) (segid " " and resid 52 and name HD2) 3.107 1.207 1.207 weight 1.000 ! spec=SH3CFc13noe, no=549, id=526, vol=4.560000e+08
assign (segid " " and resid 52 and name HA) (segid " " and resid 53 and name HN) 2.322 0.674 0.674 weight 1.000 ! spec=SH3CFc13noe, no=550, id=527, vol=2.620000e+09
assign (segid " " and resid 52 and name HA) (segid " " and resid 46 and name HB1) 4.678 2.735 2.735 weight 1.000 ! spec=SH3CFc13noe, no=551, id=528, vol=3.920000e+07
assign (segid " " and resid 15 and name HA) (segid " " and resid 15 and name HB1) 2.888 1.042 1.042 weight 1.000 ! spec=SH3CFc13noe, no=553, id=530, vol=7.080000e+08
assign (segid " " and resid 15 and name HA) (segid " " and resid 15 and name HB2) 2.738 0.937 0.937 weight 1.000 ! spec=SH3CFc13noe, no=554, id=531, vol=9.740000e+08
assign (segid " " and resid 15 and name HA) (segid " " and resid 16 and name HB) 3.171 1.257 1.257 weight 1.000 ! spec=SH3CFc13noe, no=555, id=532, vol=4.040000e+08
assign (segid " " and resid 15 and name HA) (segid " " and resid 16 and name HG12) 3.270 1.336 1.336 weight 1.000 ! spec=SH3CFc13noe, no=556, id=533, vol=3.360000e+08
assign (segid " " and resid 15 and name HA) (segid " " and resid 15 and name HD1) 3.121 1.218 1.218 weight 1.000 ! spec=SH3CFc13noe, no=557, id=534, vol=4.440000e+08
assign (segid " " and resid 15 and name HB1) (segid " " and resid 15 and name HD1) 3.652 1.667 1.667 weight 1.000 ! spec=SH3CFc13noe, no=559, id=536, vol=1.730000e+08
assign (segid " " and resid 15 and name HB2) (segid " " and resid 15 and name HE1) 3.652 1.667 1.667 weight 1.000 ! spec=SH3CFc13noe, no=560, id=537, vol=1.730000e+08
assign (segid " " and resid 15 and name HB1) (segid " " and resid 25 and name HD12) 2.407 0.724 0.724 weight 1.000 ! spec=SH3CFc13noe, no=561, id=538, vol=2.110000e+09
assign (segid " " and resid 16 and name HB) (segid " " and resid 16 and name HA) 2.351 0.691 0.691 weight 1.000 ! spec=SH3CFc13noe, no=563, id=540, vol=2.430000e+09
assign (segid " " and resid 16 and name HB) (segid " " and resid 17 and name HD1) 3.618 1.636 1.636 weight 1.000 ! spec=SH3CFc13noe, no=564, id=541, vol=1.830000e+08
assign (segid " " and resid 16 and name HD12) (segid " " and resid 16 and name HG12) 2.498 0.780 0.780 weight 1.000 ! spec=SH3CFc13noe, no=565, id=542, vol=1.690000e+09
assign (segid " " and resid 16 and name HD12) (segid " " and resid 16 and name HB) 2.774 0.962 0.962 weight 1.000 ! spec=SH3CFc13noe, no=566, id=543, vol=9.010000e+08
assign (segid " " and resid 16 and name HD12) (segid " " and resid 24 and name HG1) 3.542 1.568 1.568 weight 1.000 ! spec=SH3CFc13noe, no=567, id=544, vol=2.080000e+08
assign (segid " " and resid 16 and name HD12) (segid " " and resid 14 and name HB1) 3.811 1.816 1.816 weight 1.000 ! spec=SH3CFc13noe, no=569, id=546, vol=1.340000e+08
assign (segid " " and resid 16 and name HD12) (segid " " and resid 16 and name HA) 2.969 1.102 1.102 weight 1.000 ! spec=SH3CFc13noe, no=571, id=548, vol=6.000000e+08
assign (segid " " and resid 16 and name HD12) (segid " " and resid 16 and name HG11) 2.465 0.760 0.760 weight 1.000 ! spec=SH3CFc13noe, no=572, id=549, vol=1.830000e+09
assign (segid " " and resid 16 and name HG22) (segid " " and resid 16 and name HN) 3.281 1.346 1.346 weight 1.000 ! spec=SH3CFc13noe, no=573, id=550, vol=3.290000e+08
assign (segid " " and resid 17 and name HB2) (segid " " and resid 17 and name HD1) 2.836 1.005 1.005 weight 1.000 ! spec=SH3CFc13noe, no=576, id=553, vol=7.900000e+08
assign (segid " " and resid 17 and name HD2) (segid " " and resid 16 and name HD12) 2.806 0.984 0.984 weight 1.000 ! spec=SH3CFc13noe, no=577, id=554, vol=8.420000e+08
assign (segid " " and resid 16 and name HD12) (segid " " and resid 17 and name HD1) 2.868 1.028 1.028 weight 1.000 ! spec=SH3CFc13noe, no=578, id=555, vol=7.380000e+08
assign (segid " " and resid 17 and name HD2) (segid " " and resid 24 and name HA) 2.849 1.015 1.015 weight 1.000 ! spec=SH3CFc13noe, no=579, id=556, vol=7.680000e+08
assign (segid " " and resid 17 and name HD1) (segid " " and resid 24 and name HA) 2.671 0.892 0.892 weight 1.000 ! spec=SH3CFc13noe, no=580, id=557, vol=1.130000e+09
assign (segid " " and resid 17 and name HD2) (segid " " and resid 16 and name HA) 2.606 0.849 0.849 weight 1.000 ! spec=SH3CFc13noe, no=581, id=558, vol=1.310000e+09
assign (segid " " and resid 17 and name HA) (segid " " and resid 18 and name HG2) 2.683 0.900 0.900 weight 1.000 ! spec=SH3CFc13noe, no=582, id=559, vol=1.100000e+09
assign (segid " " and resid 17 and name HA) (segid " " and resid 17 and name HB2) 2.545 0.810 0.810 weight 1.000 ! spec=SH3CFc13noe, no=583, id=560, vol=1.510000e+09
assign (segid " " and resid 17 and name HA) (segid " " and resid 17 and name HG2) 3.559 1.583 1.583 weight 1.000 ! spec=SH3CFc13noe, no=584, id=561, vol=2.020000e+08
assign (segid " " and resid 17 and name HA) (segid " " and resid 17 and name HG1) 3.173 1.259 1.259 weight 1.000 ! spec=SH3CFc13noe, no=586, id=563, vol=4.020000e+08
assign (segid " " and resid 24 and name HG1) (segid " " and resid 17 and name HD2) 3.183 1.266 1.266 weight 1.000 ! spec=SH3CFc13noe, no=587, id=564, vol=3.950000e+08
assign (segid " " and resid 17 and name HD2) (segid " " and resid 24 and name HG2) 2.992 1.119 1.119 weight 1.000 ! spec=SH3CFc13noe, no=588, id=565, vol=5.720000e+08
assign (segid " " and resid 17 and name HB1) (segid " " and resid 17 and name HD1) 3.303 1.364 1.364 weight 1.000 ! spec=SH3CFc13noe, no=590, id=567, vol=3.160000e+08
assign (segid " " and resid 17 and name HB1) (segid " " and resid 17 and name HD2) 3.334 1.389 1.389 weight 1.000 ! spec=SH3CFc13noe, no=591, id=568, vol=2.990000e+08
assign (segid " " and resid 17 and name HD2) (segid " " and resid 17 and name HB2) 2.302 0.662 0.662 weight 1.000 ! spec=SH3CFc13noe, no=592, id=569, vol=2.760000e+09
assign (segid " " and resid 17 and name HA) (segid " " and resid 17 and name HB1) 2.645 0.874 0.874 weight 1.000 ! spec=SH3CFc13noe, no=593, id=570, vol=1.200000e+09
assign (segid " " and resid 17 and name HB1) (segid " " and resid 19 and name HN) 2.740 0.939 0.939 weight 1.000 ! spec=SH3CFc13noe, no=594, id=571, vol=9.700000e+08
assign (segid " " and resid 17 and name HG1) (segid " " and resid 24 and name HA) 3.111 1.210 1.210 weight 1.000 ! spec=SH3CFc13noe, no=595, id=572, vol=4.530000e+08
assign (segid " " and resid 17 and name HG2) (segid " " and resid 24 and name HA) 3.155 1.245 1.245 weight 1.000 ! spec=SH3CFc13noe, no=596, id=573, vol=4.160000e+08
assign (segid " " and resid 17 and name HG1) (segid " " and resid 17 and name HD2) 3.255 1.325 1.325 weight 1.000 ! spec=SH3CFc13noe, no=597, id=574, vol=3.450000e+08
assign (segid " " and resid 17 and name HG1) (segid " " and resid 17 and name HD1) 2.545 0.810 0.810 weight 1.000 ! spec=SH3CFc13noe, no=598, id=575, vol=1.510000e+09
assign (segid " " and resid 17 and name HG2) (segid " " and resid 17 and name HD2) 3.059 1.170 1.170 weight 1.000 ! spec=SH3CFc13noe, no=599, id=576, vol=5.010000e+08
assign (segid " " and resid 17 and name HG2) (segid " " and resid 17 and name HD1) 2.722 0.926 0.926 weight 1.000 ! spec=SH3CFc13noe, no=600, id=577, vol=1.010000e+09
assign (segid " " and resid 17 and name HG1) (segid " " and resid 24 and name HG2) 3.086 1.191 1.191 weight 1.000 ! spec=SH3CFc13noe, no=601, id=578, vol=4.750000e+08
assign (segid " " and resid 17 and name HG2) (segid " " and resid 24 and name HG2) 3.300 1.361 1.361 weight 1.000 ! spec=SH3CFc13noe, no=602, id=579, vol=3.180000e+08
assign (segid " " and resid 18 and name HA) (segid " " and resid 18 and name HG2) 2.952 1.090 1.090 weight 1.000 ! spec=SH3CFc13noe, no=604, id=580, vol=6.200000e+08
assign (segid " " and resid 18 and name HA) (segid " " and resid 18 and name HB2) 2.578 0.830 0.830 weight 1.000 ! spec=SH3CFc13noe, no=606, id=582, vol=1.400000e+09
assign (segid " " and resid 18 and name HA) (segid " " and resid 19 and name HB2) 3.744 1.752 1.752 weight 1.000 ! spec=SH3CFc13noe, no=608, id=584, vol=1.490000e+08
assign (segid " " and resid 18 and name HA) (segid " " and resid 19 and name HN) 2.962 1.097 1.097 weight 1.000 ! spec=SH3CFc13noe, no=609, id=585, vol=6.080000e+08
assign (segid " " and resid 18 and name HA) (segid " " and resid 18 and name HB1) 2.119 0.561 0.561 weight 1.000 ! spec=SH3CFc13noe, no=611, id=587, vol=4.540000e+09
assign (segid " " and resid 18 and name HA) (segid " " and resid 18 and name HG1) 2.827 0.999 0.999 weight 1.000 ! spec=SH3CFc13noe, no=615, id=590, vol=8.050000e+08
assign (segid " " and resid 19 and name HB2) (segid " " and resid 19 and name HA) 2.620 0.858 0.858 weight 1.000 ! spec=SH3CFc13noe, no=616, id=591, vol=1.270000e+09
assign (segid " " and resid 19 and name HB1) (segid " " and resid 22 and name HN) 2.726 0.929 0.929 weight 1.000 ! spec=SH3CFc13noe, no=617, id=592, vol=1.000000e+09
assign (segid " " and resid 19 and name HB2) (segid " " and resid 22 and name HN) 3.056 1.167 1.167 weight 1.000 ! spec=SH3CFc13noe, no=618, id=593, vol=5.040000e+08
assign (segid " " and resid 19 and name HB1) (segid " " and resid 19 and name HA) 2.157 0.581 0.581 weight 1.000 ! spec=SH3CFc13noe, no=619, id=594, vol=4.080000e+09
assign (segid " " and resid 20 and name HB2) (segid " " and resid 20 and name HA) 2.069 0.535 0.535 weight 1.000 ! spec=SH3CFc13noe, no=620, id=595, vol=5.240000e+09
assign (segid " " and resid 46 and name HA) (segid " " and resid 23 and name HD22) 3.072 1.179 1.179 weight 1.000 ! spec=SH3CFc13noe, no=623, id=598, vol=4.890000e+08
assign (segid " " and resid 51 and name HG1) (segid " " and resid 49 and name HG1) 2.874 1.032 1.032 weight 1.000 ! spec=SH3CFc13noe, no=624, id=599, vol=7.290000e+08
assign (segid " " and resid 51 and name HG2) (segid " " and resid 49 and name HG1) 2.675 0.895 0.895 weight 1.000 ! spec=SH3CFc13noe, no=625, id=600, vol=1.120000e+09
assign (segid " " and resid 22 and name HA) (segid " " and resid 53 and name HA1) 3.160 1.249 1.249 weight 1.000 ! spec=SH3CFc13noe, no=626, id=601, vol=4.120000e+08
assign (segid " " and resid 22 and name HA) (segid " " and resid 54 and name HN) 2.409 0.726 0.726 weight 1.000 ! spec=SH3CFc13noe, no=628, id=603, vol=2.100000e+09
assign (segid " " and resid 22 and name HA) (segid " " and resid 54 and name HB) 3.736 1.745 1.745 weight 1.000 ! spec=SH3CFc13noe, no=630, id=605, vol=1.510000e+08
assign (segid " " and resid 31 and name HG12) (segid " " and resid 44 and name HA1) 2.974 1.106 1.106 weight 1.000 ! spec=SH3CFc13noe, no=631, id=606, vol=5.930000e+08
assign (segid " " and resid 9 and name HB1) (segid " " and resid 60 and name HG12) 3.419 1.461 1.461 weight 1.000 ! spec=SH3CFc13noe, no=634, id=609, vol=2.570000e+08
assign (segid " " and resid 31 and name HB) (segid " " and resid 31 and name HG22) 2.532 0.801 0.801 weight 1.000 ! spec=SH3CFc13noe, no=635, id=610, vol=1.560000e+09
assign (segid " " and resid 10 and name HA) (segid " " and resid 31 and name HG22) 5.534 3.828 3.828 weight 1.000 ! spec=SH3CFc13noe, no=636, id=611, vol=1.430000e+07
assign (segid " " and resid 10 and name HA) (segid " " and resid 60 and name HG12) 3.531 1.558 1.558 weight 1.000 ! spec=SH3CFc13noe, no=637, id=612, vol=2.120000e+08
assign (segid " " and resid 33 and name HG22) (segid " " and resid 42 and name HB2) 1.935 0.468 0.468 weight 1.000 ! spec=SH3CFc13noe, no=638, id=613, vol=7.830000e+09
assign (segid " " and resid 46 and name HA) (segid " " and resid 31 and name HG22) 2.153 0.580 0.580 weight 1.000 ! spec=SH3CFc13noe, no=639, id=614, vol=4.120000e+09
assign (segid " " and resid 31 and name HG12) (segid " " and resid 46 and name HA) 3.659 1.674 1.674 weight 1.000 ! spec=SH3CFc13noe, no=640, id=615, vol=1.710000e+08
assign (segid " " and resid 31 and name HG22) (segid " " and resid 31 and name HA) 2.214 0.613 0.613 weight 1.000 ! spec=SH3CFc13noe, no=641, id=616, vol=3.490000e+09
assign (segid " " and resid 55 and name HB1) (segid " " and resid 25 and name HD12) 3.779 1.785 1.785 weight 1.000 ! spec=SH3CFc13noe, no=643, id=618, vol=1.410000e+08
assign (segid " " and resid 55 and name HB2) (segid " " and resid 25 and name HD12) 3.244 1.316 1.316 weight 1.000 ! spec=SH3CFc13noe, no=644, id=619, vol=3.520000e+08
assign (segid " " and resid 55 and name HB2) (segid " " and resid 56 and name HD1) 2.683 0.900 0.900 weight 1.000 ! spec=SH3CFc13noe, no=645, id=620, vol=1.100000e+09
assign (segid " " and resid 23 and name HB1) (segid " " and resid 23 and name HD12) 3.017 1.138 1.138 weight 1.000 ! spec=SH3CFc13noe, no=648, id=623, vol=5.440000e+08
assign (segid " " and resid 23 and name HB1) (segid " " and resid 23 and name HG) 2.896 1.048 1.048 weight 1.000 ! spec=SH3CFc13noe, no=649, id=624, vol=6.960000e+08
assign (segid " " and resid 23 and name HB2) (segid " " and resid 23 and name HG) 2.841 1.009 1.009 weight 1.000 ! spec=SH3CFc13noe, no=650, id=625, vol=7.810000e+08
assign (segid " " and resid 23 and name HB2) (segid " " and resid 23 and name HD12) 3.041 1.156 1.156 weight 1.000 ! spec=SH3CFc13noe, no=651, id=626, vol=5.190000e+08
assign (segid " " and resid 23 and name HB1) (segid " " and resid 23 and name HB2) 2.346 0.688 0.688 weight 1.000 ! spec=SH3CFc13noe, no=652, id=627, vol=2.460000e+09
assign (segid " " and resid 23 and name HB2) (segid " " and resid 55 and name HB2) 3.087 1.192 1.192 weight 1.000 ! spec=SH3CFc13noe, no=653, id=628, vol=4.740000e+08
assign (segid " " and resid 23 and name HB1) (segid " " and resid 55 and name HB2) 2.596 0.843 0.843 weight 1.000 ! spec=SH3CFc13noe, no=654, id=629, vol=1.340000e+09
assign (segid " " and resid 23 and name HB2) (segid " " and resid 55 and name HB1) 3.031 1.148 1.148 weight 1.000 ! spec=SH3CFc13noe, no=655, id=630, vol=5.300000e+08
assign (segid " " and resid 23 and name HB1) (segid " " and resid 55 and name HB1) 2.368 0.701 0.701 weight 1.000 ! spec=SH3CFc13noe, no=656, id=631, vol=2.330000e+09
assign (segid " " and resid 23 and name HA) (segid " " and resid 23 and name HB1) 2.979 1.110 1.110 weight 1.000 ! spec=SH3CFc13noe, no=657, id=632, vol=5.870000e+08
assign (segid " " and resid 23 and name HA) (segid " " and resid 23 and name HB2) 3.016 1.137 1.137 weight 1.000 ! spec=SH3CFc13noe, no=658, id=633, vol=5.460000e+08
assign (segid " " and resid 23 and name HB1) (segid " " and resid 55 and name HD1) 3.042 1.157 1.157 weight 1.000 ! spec=SH3CFc13noe, no=659, id=634, vol=5.180000e+08
assign (segid " " and resid 23 and name HB2) (segid " " and resid 55 and name HD1) 2.834 1.004 1.004 weight 1.000 ! spec=SH3CFc13noe, no=660, id=635, vol=7.920000e+08
assign (segid " " and resid 23 and name HA) (segid " " and resid 23 and name HG) 2.740 0.938 0.938 weight 1.000 ! spec=SH3CFc13noe, no=661, id=636, vol=9.710000e+08
assign (segid " " and resid 23 and name HG) (segid " " and resid 46 and name HA) 3.176 1.261 1.261 weight 1.000 ! spec=SH3CFc13noe, no=664, id=639, vol=4.000000e+08
assign (segid " " and resid 23 and name HG) (segid " " and resid 45 and name HA) 3.951 1.951 1.951 weight 1.000 ! spec=SH3CFc13noe, no=665, id=640, vol=1.080000e+08
assign (segid " " and resid 23 and name HG) (segid " " and resid 45 and name HG1) 4.758 2.830 2.830 weight 1.000 ! spec=SH3CFc13noe, no=666, id=641, vol=3.540000e+07
assign (segid " " and resid 23 and name HG) (segid " " and resid 24 and name HN) 3.871 1.873 1.873 weight 1.000 ! spec=SH3CFc13noe, no=668, id=642, vol=1.220000e+08
assign (segid " " and resid 23 and name HG) (segid " " and resid 23 and name HD12) 2.563 0.821 0.821 weight 1.000 ! spec=SH3CFc13noe, no=672, id=645, vol=1.450000e+09
assign (segid " " and resid 23 and name HG) (segid " " and resid 51 and name HB1) 3.562 1.586 1.586 weight 1.000 ! spec=SH3CFc13noe, no=673, id=646, vol=2.010000e+08
assign (segid " " and resid 23 and name HG) (segid " " and resid 55 and name HB1) 3.704 1.715 1.715 weight 1.000 ! spec=SH3CFc13noe, no=674, id=647, vol=1.590000e+08
assign (segid " " and resid 51 and name HB2) (segid " " and resid 23 and name HD22) 2.997 1.123 1.123 weight 1.000 ! spec=SH3CFc13noe, no=676, id=649, vol=5.670000e+08
assign (segid " " and resid 51 and name HG1) (segid " " and resid 23 and name HD22) 1.730 0.374 0.374 weight 1.000 ! spec=SH3CFc13noe, no=678, id=651, vol=1.530000e+10
assign (segid " " and resid 23 and name HA) (segid " " and resid 23 and name HD12) 2.938 1.079 1.079 weight 1.000 ! spec=SH3CFc13noe, no=679, id=652, vol=6.390000e+08
assign (segid " " and resid 25 and name HA) (segid " " and resid 25 and name HG) 3.179 1.263 1.263 weight 1.000 ! spec=SH3CFc13noe, no=684, id=657, vol=3.980000e+08
assign (segid " " and resid 25 and name HB2) (segid " " and resid 15 and name HB2) 2.839 1.008 1.008 weight 1.000 ! spec=SH3CFc13noe, no=688, id=661, vol=7.840000e+08
assign (segid " " and resid 25 and name HB2) (segid " " and resid 15 and name HB1) 3.180 1.264 1.264 weight 1.000 ! spec=SH3CFc13noe, no=689, id=662, vol=3.970000e+08
assign (segid " " and resid 25 and name HB1) (segid " " and resid 15 and name HB2) 3.389 1.436 1.436 weight 1.000 ! spec=SH3CFc13noe, no=690, id=663, vol=2.710000e+08
assign (segid " " and resid 25 and name HB1) (segid " " and resid 15 and name HB1) 3.172 1.258 1.258 weight 1.000 ! spec=SH3CFc13noe, no=691, id=664, vol=4.030000e+08
assign (segid " " and resid 25 and name HG) (segid " " and resid 15 and name HB1) 3.278 1.343 1.343 weight 1.000 ! spec=SH3CFc13noe, no=694, id=667, vol=3.310000e+08
assign (segid " " and resid 15 and name HB2) (segid " " and resid 25 and name HD12) 3.069 1.178 1.178 weight 1.000 ! spec=SH3CFc13noe, no=695, id=668, vol=4.910000e+08
assign (segid " " and resid 59 and name HB2) (segid " " and resid 25 and name HD12) 2.978 1.108 1.108 weight 1.000 ! spec=SH3CFc13noe, no=697, id=670, vol=5.890000e+08
assign (segid " " and resid 59 and name HB1) (segid " " and resid 25 and name HD12) 3.205 1.284 1.284 weight 1.000 ! spec=SH3CFc13noe, no=698, id=671, vol=3.790000e+08
assign (segid " " and resid 25 and name HG) (segid " " and resid 25 and name HD12) 2.387 0.712 0.712 weight 1.000 ! spec=SH3CFc13noe, no=699, id=672, vol=2.220000e+09
assign (segid " " and resid 25 and name HD12) (segid " " and resid 17 and name HG2) 3.766 1.773 1.773 weight 1.000 ! spec=SH3CFc13noe, no=700, id=673, vol=1.440000e+08
assign (segid " " and resid 25 and name HB2) (segid " " and resid 25 and name HD12) 2.717 0.923 0.923 weight 1.000 ! spec=SH3CFc13noe, no=702, id=674, vol=1.020000e+09
assign (segid " " and resid 25 and name HB1) (segid " " and resid 25 and name HD12) 2.822 0.995 0.995 weight 1.000 ! spec=SH3CFc13noe, no=703, id=675, vol=8.130000e+08
assign (segid " " and resid 25 and name HD12) (segid " " and resid 15 and name HD1) 3.030 1.147 1.147 weight 1.000 ! spec=SH3CFc13noe, no=704, id=676, vol=5.310000e+08
assign (segid " " and resid 25 and name HD12) (segid " " and resid 59 and name HE1) 2.999 1.124 1.124 weight 1.000 ! spec=SH3CFc13noe, no=705, id=677, vol=5.640000e+08
assign (segid " " and resid 25 and name HA) (segid " " and resid 25 and name HD22) 2.548 0.812 0.812 weight 1.000 ! spec=SH3CFc13noe, no=706, id=678, vol=1.500000e+09
assign (segid " " and resid 25 and name HD22) (segid " " and resid 55 and name HB1) 3.652 1.667 1.667 weight 1.000 ! spec=SH3CFc13noe, no=708, id=680, vol=1.730000e+08
assign (segid " " and resid 25 and name HG) (segid " " and resid 25 and name HD22) 2.325 0.676 0.676 weight 1.000 ! spec=SH3CFc13noe, no=710, id=682, vol=2.600000e+09
assign (segid " " and resid 25 and name HD22) (segid " " and resid 15 and name HB1) 3.704 1.715 1.715 weight 1.000 ! spec=SH3CFc13noe, no=712, id=684, vol=1.590000e+08
assign (segid " " and resid 26 and name HB2) (segid " " and resid 26 and name HD2) 1.842 0.424 0.424 weight 1.000 ! spec=SH3CFc13noe, no=713, id=685, vol=1.050000e+10
assign (segid " " and resid 26 and name HG2) (segid " " and resid 26 and name HD2) 3.116 1.213 1.213 weight 1.000 ! spec=SH3CFc13noe, no=714, id=686, vol=4.490000e+08
assign (segid " " and resid 26 and name HG1) (segid " " and resid 26 and name HD2) 2.496 0.778 0.778 weight 1.000 ! spec=SH3CFc13noe, no=715, id=687, vol=1.700000e+09
assign (segid " " and resid 26 and name HG2) (segid " " and resid 26 and name HD1) 2.613 0.853 0.853 weight 1.000 ! spec=SH3CFc13noe, no=716, id=688, vol=1.290000e+09
assign (segid " " and resid 26 and name HG1) (segid " " and resid 26 and name HD1) 3.221 1.296 1.296 weight 1.000 ! spec=SH3CFc13noe, no=717, id=689, vol=3.680000e+08
assign (segid " " and resid 11 and name HB2) (segid " " and resid 29 and name HB1) 2.581 0.832 0.832 weight 1.000 ! spec=SH3CFc13noe, no=720, id=692, vol=1.390000e+09
assign (segid " " and resid 30 and name HB) (segid " " and resid 29 and name HA) 3.215 1.292 1.292 weight 1.000 ! spec=SH3CFc13noe, no=721, id=693, vol=3.720000e+08
assign (segid " " and resid 30 and name HB) (segid " " and resid 47 and name HD2) 3.553 1.578 1.578 weight 1.000 ! spec=SH3CFc13noe, no=722, id=694, vol=2.040000e+08
assign (segid " " and resid 30 and name HD12) (segid " " and resid 10 and name HG2) 2.921 1.067 1.067 weight 1.000 ! spec=SH3CFc13noe, no=726, id=698, vol=6.610000e+08
assign (segid " " and resid 30 and name HD12) (segid " " and resid 30 and name HA) 2.890 1.044 1.044 weight 1.000 ! spec=SH3CFc13noe, no=727, id=699, vol=7.050000e+08
assign (segid " " and resid 30 and name HD12) (segid " " and resid 29 and name HA) 4.087 2.088 2.088 weight 1.000 ! spec=SH3CFc13noe, no=729, id=701, vol=8.810000e+07
assign (segid " " and resid 30 and name HD12) (segid " " and resid 10 and name HE22) 3.466 1.501 1.501 weight 1.000 ! spec=SH3CFc13noe, no=730, id=702, vol=2.370000e+08
assign (segid " " and resid 30 and name HD12) (segid " " and resid 10 and name HE21) 3.602 1.622 1.622 weight 1.000 ! spec=SH3CFc13noe, no=731, id=703, vol=1.880000e+08
assign (segid " " and resid 30 and name HD12) (segid " " and resid 31 and name HN) 3.677 1.690 1.690 weight 1.000 ! spec=SH3CFc13noe, no=732, id=704, vol=1.660000e+08
assign (segid " " and resid 30 and name HD12) (segid " " and resid 11 and name HN) 3.512 1.541 1.541 weight 1.000 ! spec=SH3CFc13noe, no=733, id=705, vol=2.190000e+08
assign (segid " " and resid 30 and name HG11) (segid " " and resid 30 and name HG12) 2.263 0.640 0.640 weight 1.000 ! spec=SH3CFc13noe, no=734, id=706, vol=3.060000e+09
assign (segid " " and resid 30 and name HD12) (segid " " and resid 30 and name HG12) 2.306 0.665 0.665 weight 1.000 ! spec=SH3CFc13noe, no=736, id=708, vol=2.730000e+09
assign (segid " " and resid 30 and name HD12) (segid " " and resid 30 and name HG11) 2.009 0.504 0.504 weight 1.000 ! spec=SH3CFc13noe, no=737, id=709, vol=6.250000e+09
assign (segid " " and resid 30 and name HB) (segid " " and resid 30 and name HG22) 2.305 0.664 0.664 weight 1.000 ! spec=SH3CFc13noe, no=740, id=712, vol=2.740000e+09
assign (segid " " and resid 30 and name HG22) (segid " " and resid 30 and name HG11) 2.809 0.987 0.987 weight 1.000 ! spec=SH3CFc13noe, no=741, id=713, vol=8.350000e+08
assign (segid " " and resid 30 and name HG22) (segid " " and resid 47 and name HD1) 3.070 1.178 1.178 weight 1.000 ! spec=SH3CFc13noe, no=742, id=714, vol=4.900000e+08
assign (segid " " and resid 8 and name HB2) (segid " " and resid 30 and name HG22) 3.215 1.292 1.292 weight 1.000 ! spec=SH3CFc13noe, no=744, id=716, vol=3.720000e+08
assign (segid " " and resid 30 and name HG22) (segid " " and resid 8 and name HB1) 3.522 1.551 1.551 weight 1.000 ! spec=SH3CFc13noe, no=745, id=717, vol=2.150000e+08
assign (segid " " and resid 30 and name HG22) (segid " " and resid 10 and name HA) 3.871 1.873 1.873 weight 1.000 ! spec=SH3CFc13noe, no=750, id=722, vol=1.220000e+08
assign (segid " " and resid 30 and name HG22) (segid " " and resid 8 and name HA) 3.652 1.667 1.667 weight 1.000 ! spec=SH3CFc13noe, no=751, id=723, vol=1.730000e+08
assign (segid " " and resid 47 and name HA) (segid " " and resid 31 and name HA) 3.568 1.591 1.591 weight 1.000 ! spec=SH3CFc13noe, no=752, id=724, vol=1.990000e+08
assign (segid " " and resid 48 and name HA) (segid " " and resid 48 and name HG2) 2.380 0.708 0.708 weight 1.000 ! spec=SH3CFc13noe, no=753, id=725, vol=2.260000e+09
assign (segid " " and resid 30 and name HG22) (segid " " and resid 47 and name HA) 3.939 1.939 1.939 weight 1.000 ! spec=SH3CFc13noe, no=754, id=726, vol=1.100000e+08
assign (segid " " and resid 31 and name HB) (segid " " and resid 9 and name HB2) 4.306 2.318 2.318 weight 1.000 ! spec=SH3CFc13noe, no=755, id=727, vol=6.440000e+07
assign (segid " " and resid 31 and name HB) (segid " " and resid 30 and name HA) 3.353 1.405 1.405 weight 1.000 ! spec=SH3CFc13noe, no=757, id=729, vol=2.890000e+08
assign (segid " " and resid 31 and name HB) (segid " " and resid 9 and name HD1) 5.817 4.229 4.229 weight 1.000 ! spec=SH3CFc13noe, no=759, id=730, vol=1.060000e+07
assign (segid " " and resid 31 and name HG22) (segid " " and resid 45 and name HN) 3.170 1.256 1.256 weight 1.000 ! spec=SH3CFc13noe, no=760, id=731, vol=4.050000e+08
assign (segid " " and resid 32 and name HA) (segid " " and resid 33 and name HB) 3.381 1.429 1.429 weight 1.000 ! spec=SH3CFc13noe, no=763, id=733, vol=2.750000e+08
assign (segid " " and resid 32 and name HA) (segid " " and resid 33 and name HG12) 3.330 1.386 1.386 weight 1.000 ! spec=SH3CFc13noe, no=765, id=735, vol=3.010000e+08
assign (segid " " and resid 32 and name HB2) (segid " " and resid 45 and name HG21) 3.531 1.558 1.558 weight 1.000 ! spec=SH3CFc13noe, no=767, id=737, vol=2.120000e+08
or (segid " " and resid 32 and name HB2) (segid " " and resid 45 and name HG22)
or (segid " " and resid 32 and name HB2) (segid " " and resid 45 and name HG23)
assign (segid " " and resid 45 and name HB) (segid " " and resid 46 and name HN) 2.883 1.039 1.039 weight 1.000 ! spec=SH3CFc13noe, no=768, id=738, vol=7.150000e+08
assign (segid " " and resid 33 and name HA) (segid " " and resid 44 and name HA1) 1.762 0.388 0.388 weight 1.000 ! spec=SH3CFc13noe, no=769, id=739, vol=1.370000e+10
assign (segid " " and resid 33 and name HA) (segid " " and resid 33 and name HB) 2.123 0.563 0.563 weight 1.000 ! spec=SH3CFc13noe, no=770, id=740, vol=4.490000e+09
assign (segid " " and resid 33 and name HG12) (segid " " and resid 33 and name HA) 2.909 1.058 1.058 weight 1.000 ! spec=SH3CFc13noe, no=771, id=741, vol=6.780000e+08
assign (segid " " and resid 33 and name HG22) (segid " " and resid 33 and name HA) 2.002 0.501 0.501 weight 1.000 ! spec=SH3CFc13noe, no=772, id=742, vol=6.370000e+09
assign (segid " " and resid 33 and name HB) (segid " " and resid 9 and name HD1) 2.945 1.084 1.084 weight 1.000 ! spec=SH3CFc13noe, no=773, id=743, vol=6.300000e+08
assign (segid " " and resid 33 and name HB) (segid " " and resid 9 and name HE1) 2.856 1.020 1.020 weight 1.000 ! spec=SH3CFc13noe, no=774, id=744, vol=7.560000e+08
assign (segid " " and resid 33 and name HB) (segid " " and resid 8 and name HA) 3.605 1.625 1.625 weight 1.000 ! spec=SH3CFc13noe, no=775, id=745, vol=1.870000e+08
assign (segid " " and resid 33 and name HB) (segid " " and resid 7 and name HB1) 3.238 1.311 1.311 weight 1.000 ! spec=SH3CFc13noe, no=777, id=747, vol=3.560000e+08
assign (segid " " and resid 33 and name HG12) (segid " " and resid 9 and name HE1) 3.391 1.437 1.437 weight 1.000 ! spec=SH3CFc13noe, no=780, id=750, vol=2.700000e+08
assign (segid " " and resid 33 and name HG12) (segid " " and resid 9 and name HD1) 2.613 0.853 0.853 weight 1.000 ! spec=SH3CFc13noe, no=781, id=751, vol=1.290000e+09
assign (segid " " and resid 33 and name HG12) (segid " " and resid 8 and name HA) 3.263 1.331 1.331 weight 1.000 ! spec=SH3CFc13noe, no=782, id=752, vol=3.400000e+08
assign (segid " " and resid 33 and name HG12) (segid " " and resid 7 and name HB1) 4.408 2.428 2.428 weight 1.000 ! spec=SH3CFc13noe, no=783, id=753, vol=5.600000e+07
assign (segid " " and resid 33 and name HG12) (segid " " and resid 42 and name HB2) 3.876 1.878 1.878 weight 1.000 ! spec=SH3CFc13noe, no=785, id=754, vol=1.210000e+08
assign (segid " " and resid 33 and name HB) (segid " " and resid 33 and name HG12) 2.540 0.806 0.806 weight 1.000 ! spec=SH3CFc13noe, no=786, id=755, vol=1.530000e+09
assign (segid " " and resid 33 and name HG12) (segid " " and resid 9 and name HB2) 14.724 14.724 27.099 weight 1.000 ! spec=SH3CFc13noe, no=787, id=756, vol=4.030000e+04
assign (segid " " and resid 34 and name HB2) (segid " " and resid 33 and name HA) 3.147 1.238 1.238 weight 1.000 ! spec=SH3CFc13noe, no=793, id=761, vol=4.230000e+08
assign (segid " " and resid 34 and name HG2) (segid " " and resid 44 and name HA1) 2.948 1.087 1.087 weight 1.000 ! spec=SH3CFc13noe, no=794, id=762, vol=6.250000e+08
assign (segid " " and resid 34 and name HG2) (segid " " and resid 35 and name HN) 3.565 1.589 1.589 weight 1.000 ! spec=SH3CFc13noe, no=795, id=763, vol=2.000000e+08
assign (segid " " and resid 35 and name HB2) (segid " " and resid 36 and name HN) 2.883 1.039 1.039 weight 1.000 ! spec=SH3CFc13noe, no=797, id=764, vol=7.150000e+08
assign (segid " " and resid 36 and name HB2) (segid " " and resid 36 and name HE2) 3.353 1.405 1.405 weight 1.000 ! spec=SH3CFc13noe, no=798, id=765, vol=2.890000e+08
assign (segid " " and resid 36 and name HB2) (segid " " and resid 42 and name HD1) 3.446 1.485 1.485 weight 1.000 ! spec=SH3CFc13noe, no=799, id=766, vol=2.450000e+08
assign (segid " " and resid 36 and name HB2) (segid " " and resid 42 and name HE1) 3.060 1.171 1.171 weight 1.000 ! spec=SH3CFc13noe, no=800, id=767, vol=5.000000e+08
assign (segid " " and resid 36 and name HD2) (segid " " and resid 36 and name HA) 3.114 1.212 1.212 weight 1.000 ! spec=SH3CFc13noe, no=801, id=768, vol=4.500000e+08
assign (segid " " and resid 36 and name HD2) (segid " " and resid 42 and name HE1) 3.243 1.315 1.315 weight 1.000 ! spec=SH3CFc13noe, no=803, id=770, vol=3.530000e+08
assign (segid " " and resid 36 and name HD2) (segid " " and resid 42 and name HD1) 3.615 1.633 1.633 weight 1.000 ! spec=SH3CFc13noe, no=804, id=771, vol=1.840000e+08
assign (segid " " and resid 36 and name HG1) (segid " " and resid 33 and name HG22) 3.110 1.209 1.209 weight 1.000 ! spec=SH3CFc13noe, no=805, id=772, vol=4.540000e+08
assign (segid " " and resid 36 and name HG1) (segid " " and resid 36 and name HE2) 2.949 1.087 1.087 weight 1.000 ! spec=SH3CFc13noe, no=806, id=773, vol=6.240000e+08
assign (segid " " and resid 36 and name HG1) (segid " " and resid 36 and name HA) 3.144 1.236 1.236 weight 1.000 ! spec=SH3CFc13noe, no=807, id=774, vol=4.250000e+08
assign (segid " " and resid 37 and name HB2) (segid " " and resid 40 and name HN) 2.249 0.632 0.632 weight 1.000 ! spec=SH3CFc13noe, no=809, id=776, vol=3.170000e+09
assign (segid " " and resid 41 and name HA) (segid " " and resid 56 and name HB1) 3.491 1.523 1.523 weight 1.000 ! spec=SH3CFc13noe, no=810, id=777, vol=2.270000e+08
assign (segid " " and resid 42 and name HB1) (segid " " and resid 33 and name HG12) 4.875 2.970 2.970 weight 1.000 ! spec=SH3CFc13noe, no=812, id=779, vol=3.060000e+07
assign (segid " " and resid 43 and name HA) (segid " " and resid 54 and name HB) 2.745 0.942 0.942 weight 1.000 ! spec=SH3CFc13noe, no=814, id=781, vol=9.600000e+08
assign (segid " " and resid 43 and name HB) (segid " " and resid 35 and name HN) 2.671 0.892 0.892 weight 1.000 ! spec=SH3CFc13noe, no=815, id=782, vol=1.130000e+09
assign (segid " " and resid 43 and name HG22) (segid " " and resid 55 and name HN) 4.337 2.351 2.351 weight 1.000 ! spec=SH3CFc13noe, no=817, id=784, vol=6.170000e+07
assign (segid " " and resid 44 and name HA1) (segid " " and resid 32 and name HB2) 3.231 1.305 1.305 weight 1.000 ! spec=SH3CFc13noe, no=819, id=786, vol=3.610000e+08
assign (segid " " and resid 44 and name HA1) (segid " " and resid 34 and name HB2) 3.732 1.741 1.741 weight 1.000 ! spec=SH3CFc13noe, no=820, id=787, vol=1.520000e+08
assign (segid " " and resid 45 and name HG21) (segid " " and resid 52 and name HD2) 3.249 1.320 1.320 weight 1.000 ! spec=SH3CFc13noe, no=825, id=791, vol=3.490000e+08
assign (segid " " and resid 45 and name HG21) (segid " " and resid 51 and name HN) 2.491 0.775 0.775 weight 1.000 ! spec=SH3CFc13noe, no=826, id=792, vol=1.720000e+09
assign (segid " " and resid 45 and name HG21) (segid " " and resid 50 and name HN) 3.509 1.539 1.539 weight 1.000 ! spec=SH3CFc13noe, no=827, id=793, vol=2.200000e+08
assign (segid " " and resid 45 and name HG21) (segid " " and resid 45 and name HG1) 2.302 0.662 0.662 weight 1.000 ! spec=SH3CFc13noe, no=828, id=794, vol=2.760000e+09
assign (segid " " and resid 45 and name HG21) (segid " " and resid 50 and name HD2) 3.470 1.506 1.506 weight 1.000 ! spec=SH3CFc13noe, no=829, id=795, vol=2.350000e+08
assign (segid " " and resid 46 and name HB2) (segid " " and resid 46 and name HA) 2.191 0.600 0.600 weight 1.000 ! spec=SH3CFc13noe, no=831, id=796, vol=3.710000e+09
assign (segid " " and resid 46 and name HB2) (segid " " and resid 46 and name HB1) 2.065 0.533 0.533 weight 1.000 ! spec=SH3CFc13noe, no=832, id=797, vol=5.290000e+09
assign (segid " " and resid 46 and name HB1) (segid " " and resid 49 and name HG1) 3.059 1.170 1.170 weight 1.000 ! spec=SH3CFc13noe, no=833, id=798, vol=5.010000e+08
assign (segid " " and resid 46 and name HB2) (segid " " and resid 49 and name HG1) 3.728 1.737 1.737 weight 1.000 ! spec=SH3CFc13noe, no=834, id=799, vol=1.530000e+08
assign (segid " " and resid 46 and name HB2) (segid " " and resid 49 and name HG21) 2.523 0.796 0.796 weight 1.000 ! spec=SH3CFc13noe, no=836, id=801, vol=1.590000e+09
assign (segid " " and resid 46 and name HB2) (segid " " and resid 23 and name HD22) 2.578 0.830 0.830 weight 1.000 ! spec=SH3CFc13noe, no=837, id=802, vol=1.400000e+09
assign (segid " " and resid 23 and name HG) (segid " " and resid 46 and name HB2) 2.516 0.791 0.791 weight 1.000 ! spec=SH3CFc13noe, no=838, id=803, vol=1.620000e+09
assign (segid " " and resid 47 and name HB2) (segid " " and resid 30 and name HG22) 2.770 0.959 0.959 weight 1.000 ! spec=SH3CFc13noe, no=839, id=804, vol=9.080000e+08
assign (segid " " and resid 48 and name HA) (segid " " and resid 48 and name HD2) 3.720 1.730 1.730 weight 1.000 ! spec=SH3CFc13noe, no=841, id=806, vol=1.550000e+08
assign (segid " " and resid 47 and name HD1) (segid " " and resid 47 and name HA) 3.240 1.312 1.312 weight 1.000 ! spec=SH3CFc13noe, no=843, id=808, vol=3.550000e+08
assign (segid " " and resid 30 and name HG22) (segid " " and resid 47 and name HD2) 3.321 1.379 1.379 weight 1.000 ! spec=SH3CFc13noe, no=844, id=809, vol=3.060000e+08
assign (segid " " and resid 47 and name HD1) (segid " " and resid 47 and name HD2) 1.916 0.459 0.459 weight 1.000 ! spec=SH3CFc13noe, no=846, id=811, vol=8.290000e+09
assign (segid " " and resid 47 and name HG2) (segid " " and resid 47 and name HD2) 2.557 0.817 0.817 weight 1.000 ! spec=SH3CFc13noe, no=847, id=812, vol=1.470000e+09
assign (segid " " and resid 47 and name HG2) (segid " " and resid 47 and name HA) 2.282 0.651 0.651 weight 1.000 ! spec=SH3CFc13noe, no=848, id=813, vol=2.910000e+09
assign (segid " " and resid 50 and name HD2) (segid " " and resid 50 and name HE2) 1.994 0.497 0.497 weight 1.000 ! spec=SH3CFc13noe, no=849, id=814, vol=6.540000e+09
assign (segid " " and resid 50 and name HD2) (segid " " and resid 50 and name HB2) 2.973 1.105 1.105 weight 1.000 ! spec=SH3CFc13noe, no=850, id=815, vol=5.950000e+08
assign (segid " " and resid 48 and name HB1) (segid " " and resid 48 and name HD2) 2.906 1.055 1.055 weight 1.000 ! spec=SH3CFc13noe, no=851, id=816, vol=6.820000e+08
assign (segid " " and resid 49 and name HG21) (segid " " and resid 48 and name HB2) 3.049 1.162 1.162 weight 1.000 ! spec=SH3CFc13noe, no=852, id=817, vol=5.110000e+08
or (segid " " and resid 48 and name HB2) (segid " " and resid 49 and name HG22)
or (segid " " and resid 48 and name HB2) (segid " " and resid 49 and name HG23)
assign (segid " " and resid 48 and name HB1) (segid " " and resid 49 and name HG21) 2.991 1.119 1.119 weight 1.000 ! spec=SH3CFc13noe, no=853, id=818, vol=5.730000e+08
or (segid " " and resid 48 and name HB1) (segid " " and resid 49 and name HG22)
or (segid " " and resid 48 and name HB1) (segid " " and resid 49 and name HG23)
assign (segid " " and resid 48 and name HB2) (segid " " and resid 49 and name HN) 2.203 0.607 0.607 weight 1.000 ! spec=SH3CFc13noe, no=854, id=819, vol=3.590000e+09
assign (segid " " and resid 48 and name HB1) (segid " " and resid 49 and name HN) 2.977 1.108 1.108 weight 1.000 ! spec=SH3CFc13noe, no=855, id=820, vol=5.900000e+08
assign (segid " " and resid 48 and name HD1) (segid " " and resid 48 and name HD2) 1.994 0.497 0.497 weight 1.000 ! spec=SH3CFc13noe, no=856, id=821, vol=6.530000e+09
assign (segid " " and resid 48 and name HB2) (segid " " and resid 48 and name HD2) 2.771 0.960 0.960 weight 1.000 ! spec=SH3CFc13noe, no=857, id=822, vol=9.060000e+08
assign (segid " " and resid 48 and name HG2) (segid " " and resid 48 and name HD2) 2.305 0.664 0.664 weight 1.000 ! spec=SH3CFc13noe, no=858, id=823, vol=2.740000e+09
assign (segid " " and resid 48 and name HD1) (segid " " and resid 48 and name HG2) 2.307 0.666 0.666 weight 1.000 ! spec=SH3CFc13noe, no=859, id=824, vol=2.720000e+09
assign (segid " " and resid 49 and name HB) (segid " " and resid 46 and name HB2) 3.927 1.927 1.927 weight 1.000 ! spec=SH3CFc13noe, no=863, id=828, vol=1.120000e+08
assign (segid " " and resid 49 and name HB) (segid " " and resid 51 and name HG2) 3.512 1.541 1.541 weight 1.000 ! spec=SH3CFc13noe, no=864, id=829, vol=2.190000e+08
assign (segid " " and resid 46 and name HB1) (segid " " and resid 49 and name HG21) 1.915 0.459 0.459 weight 1.000 ! spec=SH3CFc13noe, no=868, id=831, vol=8.320000e+09
assign (segid " " and resid 49 and name HG21) (segid " " and resid 51 and name HB1) 3.525 1.553 1.553 weight 1.000 ! spec=SH3CFc13noe, no=869, id=832, vol=2.140000e+08
assign (segid " " and resid 50 and name HA) (segid " " and resid 45 and name HG21) 2.343 0.686 0.686 weight 1.000 ! spec=SH3CFc13noe, no=871, id=834, vol=2.480000e+09
assign (segid " " and resid 50 and name HG1) (segid " " and resid 50 and name HA) 2.893 1.046 1.046 weight 1.000 ! spec=SH3CFc13noe, no=872, id=835, vol=7.000000e+08
assign (segid " " and resid 50 and name HG1) (segid " " and resid 50 and name HB1) 2.329 0.678 0.678 weight 1.000 ! spec=SH3CFc13noe, no=874, id=837, vol=2.570000e+09
assign (segid " " and resid 50 and name HG2) (segid " " and resid 50 and name HB1) 2.385 0.711 0.711 weight 1.000 ! spec=SH3CFc13noe, no=875, id=838, vol=2.230000e+09
assign (segid " " and resid 50 and name HG1) (segid " " and resid 50 and name HE2) 2.472 0.764 0.764 weight 1.000 ! spec=SH3CFc13noe, no=877, id=840, vol=1.800000e+09
assign (segid " " and resid 50 and name HG2) (segid " " and resid 50 and name HE2) 2.734 0.934 0.934 weight 1.000 ! spec=SH3CFc13noe, no=878, id=841, vol=9.840000e+08
assign (segid " " and resid 50 and name HE2) (segid " " and resid 50 and name HA) 1.552 0.301 0.301 weight 1.000 ! spec=SH3CFc13noe, no=880, id=843, vol=2.940000e+10
assign (segid " " and resid 50 and name HE2) (segid " " and resid 47 and name HA) 2.813 0.989 0.989 weight 1.000 ! spec=SH3CFc13noe, no=881, id=844, vol=8.280000e+08
assign (segid " " and resid 50 and name HG2) (segid " " and resid 50 and name HD2) 2.185 0.597 0.597 weight 1.000 ! spec=SH3CFc13noe, no=882, id=845, vol=3.770000e+09
assign (segid " " and resid 50 and name HG1) (segid " " and resid 50 and name HD2) 2.481 0.770 0.770 weight 1.000 ! spec=SH3CFc13noe, no=883, id=846, vol=1.760000e+09
assign (segid " " and resid 53 and name HA1) (segid " " and resid 43 and name HG22) 3.485 1.519 1.519 weight 1.000 ! spec=SH3CFc13noe, no=886, id=847, vol=2.290000e+08
assign (segid " " and resid 54 and name HA) (segid " " and resid 55 and name HN) 2.319 0.672 0.672 weight 1.000 ! spec=SH3CFc13noe, no=888, id=849, vol=2.640000e+09
assign (segid " " and resid 54 and name HA) (segid " " and resid 44 and name HN) 2.788 0.971 0.971 weight 1.000 ! spec=SH3CFc13noe, no=889, id=850, vol=8.750000e+08
assign (segid " " and resid 54 and name HB) (segid " " and resid 55 and name HA) 3.792 1.798 1.798 weight 1.000 ! spec=SH3CFc13noe, no=890, id=851, vol=1.380000e+08
assign (segid " " and resid 43 and name HG22) (segid " " and resid 54 and name HB) 2.735 0.935 0.935 weight 1.000 ! spec=SH3CFc13noe, no=891, id=852, vol=9.820000e+08
assign (segid " " and resid 22 and name HG1) (segid " " and resid 54 and name HG21) 2.064 0.533 0.533 weight 1.000 ! spec=SH3CFc13noe, no=892, id=853, vol=5.310000e+09
assign (segid " " and resid 22 and name HG2) (segid " " and resid 54 and name HG21) 2.030 0.515 0.515 weight 1.000 ! spec=SH3CFc13noe, no=893, id=854, vol=5.860000e+09
assign (segid " " and resid 56 and name HD1) (segid " " and resid 55 and name HA) 2.679 0.897 0.897 weight 1.000 ! spec=SH3CFc13noe, no=894, id=855, vol=1.110000e+09
assign (segid " " and resid 55 and name HB2) (segid " " and resid 23 and name HG) 5.062 3.203 3.203 weight 1.000 ! spec=SH3CFc13noe, no=895, id=856, vol=2.440000e+07
assign (segid " " and resid 56 and name HA) (segid " " and resid 56 and name HD2) 3.593 1.613 1.613 weight 1.000 ! spec=SH3CFc13noe, no=897, id=858, vol=1.910000e+08
assign (segid " " and resid 56 and name HB1) (segid " " and resid 56 and name HA) 2.310 0.667 0.667 weight 1.000 ! spec=SH3CFc13noe, no=899, id=860, vol=2.700000e+09
assign (segid " " and resid 56 and name HA) (segid " " and resid 56 and name HG2) 2.888 1.042 1.042 weight 1.000 ! spec=SH3CFc13noe, no=900, id=861, vol=7.080000e+08
assign (segid " " and resid 56 and name HA) (segid " " and resid 42 and name HN) 2.713 0.920 0.920 weight 1.000 ! spec=SH3CFc13noe, no=901, id=862, vol=1.030000e+09
assign (segid " " and resid 56 and name HA) (segid " " and resid 56 and name HD1) 2.876 1.034 1.034 weight 1.000 ! spec=SH3CFc13noe, no=902, id=863, vol=7.260000e+08
assign (segid " " and resid 56 and name HB1) (segid " " and resid 57 and name HN) 2.892 1.045 1.045 weight 1.000 ! spec=SH3CFc13noe, no=904, id=865, vol=7.020000e+08
assign (segid " " and resid 56 and name HB2) (segid " " and resid 58 and name HN) 2.737 0.936 0.936 weight 1.000 ! spec=SH3CFc13noe, no=905, id=866, vol=9.770000e+08
assign (segid " " and resid 56 and name HB1) (segid " " and resid 56 and name HD1) 3.039 1.155 1.155 weight 1.000 ! spec=SH3CFc13noe, no=906, id=867, vol=5.210000e+08
assign (segid " " and resid 56 and name HG2) (segid " " and resid 56 and name HB1) 2.411 0.727 0.727 weight 1.000 ! spec=SH3CFc13noe, no=908, id=869, vol=2.090000e+09
assign (segid " " and resid 56 and name HB2) (segid " " and resid 56 and name HG2) 2.310 0.667 0.667 weight 1.000 ! spec=SH3CFc13noe, no=909, id=870, vol=2.700000e+09
assign (segid " " and resid 56 and name HG1) (segid " " and resid 56 and name HB1) 2.472 0.764 0.764 weight 1.000 ! spec=SH3CFc13noe, no=910, id=871, vol=1.800000e+09
assign (segid " " and resid 56 and name HB2) (segid " " and resid 56 and name HG1) 2.476 0.767 0.767 weight 1.000 ! spec=SH3CFc13noe, no=911, id=872, vol=1.780000e+09
assign (segid " " and resid 56 and name HB1) (segid " " and resid 56 and name HB2) 1.963 0.482 0.482 weight 1.000 ! spec=SH3CFc13noe, no=912, id=873, vol=7.170000e+09
assign (segid " " and resid 56 and name HD2) (segid " " and resid 56 and name HG1) 2.433 0.740 0.740 weight 1.000 ! spec=SH3CFc13noe, no=913, id=874, vol=1.980000e+09
assign (segid " " and resid 56 and name HG1) (segid " " and resid 56 and name HD1) 2.858 1.021 1.021 weight 1.000 ! spec=SH3CFc13noe, no=914, id=875, vol=7.540000e+08
assign (segid " " and resid 56 and name HD2) (segid " " and resid 56 and name HB2) 2.596 0.843 0.843 weight 1.000 ! spec=SH3CFc13noe, no=915, id=876, vol=1.340000e+09
assign (segid " " and resid 56 and name HD1) (segid " " and resid 56 and name HB2) 3.415 1.458 1.458 weight 1.000 ! spec=SH3CFc13noe, no=916, id=877, vol=2.590000e+08
assign (segid " " and resid 56 and name HD2) (segid " " and resid 55 and name HB1) 2.969 1.102 1.102 weight 1.000 ! spec=SH3CFc13noe, no=918, id=879, vol=6.000000e+08
assign (segid " " and resid 56 and name HD2) (segid " " and resid 55 and name HB2) 2.790 0.973 0.973 weight 1.000 ! spec=SH3CFc13noe, no=919, id=880, vol=8.710000e+08
assign (segid " " and resid 56 and name HD1) (segid " " and resid 55 and name HD1) 3.882 1.884 1.884 weight 1.000 ! spec=SH3CFc13noe, no=921, id=882, vol=1.200000e+08
assign (segid " " and resid 56 and name HG1) (segid " " and resid 56 and name HG2) 2.003 0.501 0.501 weight 1.000 ! spec=SH3CFc13noe, no=924, id=885, vol=6.360000e+09
assign (segid " " and resid 56 and name HD2) (segid " " and resid 56 and name HG2) 2.479 0.768 0.768 weight 1.000 ! spec=SH3CFc13noe, no=926, id=887, vol=1.770000e+09
assign (segid " " and resid 56 and name HA) (segid " " and resid 56 and name HG1) 2.534 0.803 0.803 weight 1.000 ! spec=SH3CFc13noe, no=927, id=888, vol=1.550000e+09
assign (segid " " and resid 56 and name HG1) (segid " " and resid 55 and name HA) 3.296 1.358 1.358 weight 1.000 ! spec=SH3CFc13noe, no=928, id=889, vol=3.200000e+08
assign (segid " " and resid 56 and name HG2) (segid " " and resid 55 and name HA) 3.175 1.260 1.260 weight 1.000 ! spec=SH3CFc13noe, no=929, id=890, vol=4.010000e+08
assign (segid " " and resid 57 and name HA1) (segid " " and resid 9 and name HE1) 3.132 1.226 1.226 weight 1.000 ! spec=SH3CFc13noe, no=931, id=892, vol=4.350000e+08
assign (segid " " and resid 57 and name HA1) (segid " " and resid 9 and name HD1) 3.130 1.224 1.224 weight 1.000 ! spec=SH3CFc13noe, no=933, id=893, vol=4.370000e+08
assign (segid " " and resid 57 and name HA1) (segid " " and resid 60 and name HG22) 2.729 0.931 0.931 weight 1.000 ! spec=SH3CFc13noe, no=935, id=895, vol=9.950000e+08
assign (segid " " and resid 56 and name HA) (segid " " and resid 57 and name HA1) 3.181 1.265 1.265 weight 1.000 ! spec=SH3CFc13noe, no=936, id=896, vol=3.960000e+08
assign (segid " " and resid 58 and name HB1) (segid " " and resid 58 and name HB2) 1.802 0.406 0.406 weight 1.000 ! spec=SH3CFc13noe, no=938, id=898, vol=1.200000e+10
assign (segid " " and resid 58 and name HB2) (segid " " and resid 41 and name HE3) 2.488 0.774 0.774 weight 1.000 ! spec=SH3CFc13noe, no=939, id=899, vol=1.730000e+09
assign (segid " " and resid 59 and name HB2) (segid " " and resid 59 and name HE1) 3.792 1.798 1.798 weight 1.000 ! spec=SH3CFc13noe, no=940, id=900, vol=1.380000e+08
assign (segid " " and resid 59 and name HB2) (segid " " and resid 59 and name HD1) 2.728 0.930 0.930 weight 1.000 ! spec=SH3CFc13noe, no=941, id=901, vol=9.970000e+08
assign (segid " " and resid 59 and name HB1) (segid " " and resid 59 and name HD1) 2.452 0.751 0.751 weight 1.000 ! spec=SH3CFc13noe, no=942, id=902, vol=1.890000e+09
assign (segid " " and resid 59 and name HB1) (segid " " and resid 59 and name HE1) 3.478 1.512 1.512 weight 1.000 ! spec=SH3CFc13noe, no=943, id=903, vol=2.320000e+08
assign (segid " " and resid 60 and name HG12) (segid " " and resid 59 and name HB1) 3.522 1.551 1.551 weight 1.000 ! spec=SH3CFc13noe, no=944, id=904, vol=2.150000e+08
assign (segid " " and resid 11 and name HB2) (segid " " and resid 60 and name HA) 3.307 1.367 1.367 weight 1.000 ! spec=SH3CFc13noe, no=945, id=905, vol=3.140000e+08
or (segid " " and resid 60 and name HA) (segid " " and resid 11 and name HB1)
or (segid " " and resid 60 and name HA) (segid " " and resid 11 and name HB3)
assign (segid " " and resid 12 and name HG) (segid " " and resid 60 and name HA) 2.738 0.937 0.937 weight 1.000 ! spec=SH3CFc13noe, no=946, id=906, vol=9.740000e+08
assign (segid " " and resid 60 and name HA) (segid " " and resid 9 and name HB1) 3.027 1.145 1.145 weight 1.000 ! spec=SH3CFc13noe, no=947, id=907, vol=5.340000e+08
assign (segid " " and resid 60 and name HA) (segid " " and resid 9 and name HD1) 3.876 1.878 1.878 weight 1.000 ! spec=SH3CFc13noe, no=949, id=909, vol=1.210000e+08
assign (segid " " and resid 60 and name HA) (segid " " and resid 61 and name HN) 2.204 0.607 0.607 weight 1.000 ! spec=SH3CFc13noe, no=950, id=910, vol=3.580000e+09
assign (segid " " and resid 60 and name HA) (segid " " and resid 12 and name HN) 2.355 0.693 0.693 weight 1.000 ! spec=SH3CFc13noe, no=951, id=911, vol=2.410000e+09
assign (segid " " and resid 60 and name HA) (segid " " and resid 10 and name HN) 3.861 1.863 1.863 weight 1.000 ! spec=SH3CFc13noe, no=952, id=912, vol=1.240000e+08
assign (segid " " and resid 9 and name HB1) (segid " " and resid 60 and name HB) 1.557 0.303 0.303 weight 1.000 ! spec=SH3CFc13noe, no=953, id=913, vol=2.880000e+10
assign (segid " " and resid 60 and name HB) (segid " " and resid 10 and name HN) 2.679 0.897 0.897 weight 1.000 ! spec=SH3CFc13noe, no=954, id=914, vol=1.110000e+09
assign (segid " " and resid 9 and name HB2) (segid " " and resid 60 and name HB) 1.804 0.407 0.407 weight 1.000 ! spec=SH3CFc13noe, no=955, id=915, vol=1.190000e+10
assign (segid " " and resid 60 and name HG22) (segid " " and resid 9 and name HD1) 2.133 0.569 0.569 weight 1.000 ! spec=SH3CFc13noe, no=956, id=916, vol=4.360000e+09
assign (segid " " and resid 60 and name HG22) (segid " " and resid 61 and name HN) 2.819 0.993 0.993 weight 1.000 ! spec=SH3CFc13noe, no=958, id=918, vol=8.180000e+08
assign (segid " " and resid 60 and name HG22) (segid " " and resid 10 and name HN) 3.685 1.697 1.697 weight 1.000 ! spec=SH3CFc13noe, no=960, id=920, vol=1.640000e+08
assign (segid " " and resid 61 and name HA) (segid " " and resid 61 and name HG2) 2.908 1.057 1.057 weight 1.000 ! spec=SH3CFc13noe, no=961, id=921, vol=6.790000e+08
assign (segid " " and resid 61 and name HB1) (segid " " and resid 62 and name HD1) 3.016 1.137 1.137 weight 1.000 ! spec=SH3CFc13noe, no=962, id=922, vol=5.450000e+08
assign (segid " " and resid 61 and name HB2) (segid " " and resid 62 and name HD1) 3.002 1.126 1.126 weight 1.000 ! spec=SH3CFc13noe, no=963, id=923, vol=5.610000e+08
assign (segid " " and resid 62 and name HA) (segid " " and resid 63 and name HA) 3.176 1.261 1.261 weight 1.000 ! spec=SH3CFc13noe, no=967, id=927, vol=4.000000e+08
assign (segid " " and resid 62 and name HA) (segid " " and resid 9 and name HB2) 4.417 2.439 2.439 weight 1.000 ! spec=SH3CFc13noe, no=968, id=928, vol=5.530000e+07
assign (segid " " and resid 62 and name HG2) (segid " " and resid 62 and name HB1) 2.306 0.665 0.665 weight 1.000 ! spec=SH3CFc13noe, no=971, id=930, vol=2.730000e+09
assign (segid " " and resid 62 and name HG1) (segid " " and resid 62 and name HB1) 2.260 0.639 0.639 weight 1.000 ! spec=SH3CFc13noe, no=972, id=931, vol=3.080000e+09
assign (segid " " and resid 62 and name HG2) (segid " " and resid 62 and name HD2) 2.759 0.951 0.951 weight 1.000 ! spec=SH3CFc13noe, no=973, id=932, vol=9.310000e+08
assign (segid " " and resid 62 and name HG2) (segid " " and resid 62 and name HD1) 1.854 0.430 0.430 weight 1.000 ! spec=SH3CFc13noe, no=974, id=933, vol=1.010000e+10
assign (segid " " and resid 62 and name HG1) (segid " " and resid 62 and name HD2) 1.879 0.441 0.441 weight 1.000 ! spec=SH3CFc13noe, no=975, id=934, vol=9.330000e+09
assign (segid " " and resid 62 and name HG1) (segid " " and resid 62 and name HD1) 2.137 0.571 0.571 weight 1.000 ! spec=SH3CFc13noe, no=976, id=935, vol=4.310000e+09
assign (segid " " and resid 63 and name HB2) (segid " " and resid 63 and name HA) 2.081 0.541 0.541 weight 1.000 ! spec=SH3CFc13noe, no=977, id=936, vol=5.060000e+09
assign (segid " " and resid 6 and name HB2) (segid " " and resid 5 and name HN) 3.404 1.448 1.448 weight 1.000 ! spec=SH3CFc13noe, no=979, id=938, vol=2.640000e+08
assign (segid " " and resid 8 and name HB1) (segid " " and resid 63 and name HD12) 2.623 0.860 0.860 weight 1.000 ! spec=SH3CFc13noe, no=980, id=939, vol=1.260000e+09
assign (segid " " and resid 64 and name HB2) (segid " " and resid 64 and name HD1) 2.307 0.666 0.666 weight 1.000 ! spec=SH3CFc13noe, no=983, id=942, vol=2.720000e+09
assign (segid " " and resid 64 and name HB1) (segid " " and resid 64 and name HD1) 2.909 1.058 1.058 weight 1.000 ! spec=SH3CFc13noe, no=984, id=943, vol=6.780000e+08
assign (segid " " and resid 64 and name HB2) (segid " " and resid 64 and name HE1) 3.501 1.532 1.532 weight 1.000 ! spec=SH3CFc13noe, no=985, id=944, vol=2.230000e+08
assign (segid " " and resid 64 and name HB1) (segid " " and resid 64 and name HE1) 3.976 1.976 1.976 weight 1.000 ! spec=SH3CFc13noe, no=986, id=945, vol=1.040000e+08
assign (segid " " and resid 11 and name HB2) (segid " " and resid 12 and name HA) 4.384 2.403 2.403 weight 1.000 ! spec=SH3CFc13noe, no=987, id=946, vol=5.780000e+07
assign (segid " " and resid 10 and name HB2) (segid " " and resid 61 and name HG1) 3.147 1.238 1.238 weight 1.000 ! spec=SH3CFc13noe, no=988, id=947, vol=4.230000e+08
assign (segid " " and resid 57 and name HN) (segid " " and resid 58 and name HN) 2.928 1.072 1.072 weight 1.000 ! spec=SH3CFn15noe, no=1, id=948, vol=5.520000e+08
assign (segid " " and resid 11 and name HN) (segid " " and resid 12 and name HN) 3.350 1.403 1.403 weight 1.000 ! spec=SH3CFn15noe, no=6, id=953, vol=2.460000e+08
assign (segid " " and resid 11 and name HN) (segid " " and resid 30 and name HN) 3.381 1.429 1.429 weight 1.000 ! spec=SH3CFn15noe, no=7, id=954, vol=2.330000e+08
assign (segid " " and resid 11 and name HN) (segid " " and resid 29 and name HN) 3.056 1.168 1.168 weight 1.000 ! spec=SH3CFn15noe, no=8, id=955, vol=4.270000e+08
assign (segid " " and resid 11 and name HN) (segid " " and resid 30 and name HA) 3.153 1.243 1.243 weight 1.000 ! spec=SH3CFn15noe, no=9, id=956, vol=3.540000e+08
assign (segid " " and resid 11 and name HN) (segid " " and resid 11 and name HA) 3.179 1.263 1.263 weight 1.000 ! spec=SH3CFn15noe, no=10, id=957, vol=3.370000e+08
assign (segid " " and resid 11 and name HN) (segid " " and resid 29 and name HA) 3.448 1.486 1.486 weight 1.000 ! spec=SH3CFn15noe, no=11, id=958, vol=2.070000e+08
assign (segid " " and resid 10 and name HG2) (segid " " and resid 11 and name HN) 2.784 0.969 0.969 weight 1.000 ! spec=SH3CFn15noe, no=12, id=959, vol=7.480000e+08
assign (segid " " and resid 11 and name HN) (segid " " and resid 10 and name HB1) 2.958 1.094 1.094 weight 1.000 ! spec=SH3CFn15noe, no=13, id=960, vol=5.190000e+08
assign (segid " " and resid 11 and name HN) (segid " " and resid 11 and name HB2) 2.529 0.799 0.799 weight 1.000 ! spec=SH3CFn15noe, no=14, id=961, vol=1.330000e+09
assign (segid " " and resid 33 and name HN) (segid " " and resid 33 and name HB) 2.886 1.041 1.041 weight 1.000 ! spec=SH3CFn15noe, no=15, id=962, vol=6.020000e+08
assign (segid " " and resid 33 and name HN) (segid " " and resid 32 and name HB2) 3.024 1.143 1.143 weight 1.000 ! spec=SH3CFn15noe, no=16, id=963, vol=4.550000e+08
assign (segid " " and resid 33 and name HN) (segid " " and resid 33 and name HA) 2.513 0.790 0.790 weight 1.000 ! spec=SH3CFn15noe, no=17, id=964, vol=1.380000e+09
assign (segid " " and resid 47 and name HN) (segid " " and resid 47 and name HB2) 2.693 0.907 0.907 weight 1.000 ! spec=SH3CFn15noe, no=20, id=967, vol=9.120000e+08
assign (segid " " and resid 47 and name HN) (segid " " and resid 31 and name HA) 2.913 1.061 1.061 weight 1.000 ! spec=SH3CFn15noe, no=21, id=968, vol=5.690000e+08
assign (segid " " and resid 47 and name HN) (segid " " and resid 46 and name HA) 2.479 0.768 0.768 weight 1.000 ! spec=SH3CFn15noe, no=22, id=969, vol=1.500000e+09
assign (segid " " and resid 47 and name HN) (segid " " and resid 47 and name HA) 2.973 1.105 1.105 weight 1.000 ! spec=SH3CFn15noe, no=23, id=970, vol=5.040000e+08
assign (segid " " and resid 47 and name HN) (segid " " and resid 46 and name HB1) 3.217 1.294 1.294 weight 1.000 ! spec=SH3CFn15noe, no=24, id=971, vol=3.140000e+08
assign (segid " " and resid 47 and name HN) (segid " " and resid 46 and name HB2) 3.585 1.606 1.606 weight 1.000 ! spec=SH3CFn15noe, no=25, id=972, vol=1.640000e+08
assign (segid " " and resid 15 and name HA) (segid " " and resid 16 and name HN) 2.317 0.671 0.671 weight 1.000 ! spec=SH3CFn15noe, no=28, id=975, vol=2.250000e+09
assign (segid " " and resid 16 and name HN) (segid " " and resid 16 and name HA) 2.926 1.070 1.070 weight 1.000 ! spec=SH3CFn15noe, no=29, id=976, vol=5.540000e+08
assign (segid " " and resid 16 and name HN) (segid " " and resid 15 and name HB2) 3.071 1.179 1.179 weight 1.000 ! spec=SH3CFn15noe, no=30, id=977, vol=4.150000e+08
assign (segid " " and resid 16 and name HN) (segid " " and resid 15 and name HB1) 3.197 1.277 1.277 weight 1.000 ! spec=SH3CFn15noe, no=31, id=978, vol=3.260000e+08
assign (segid " " and resid 16 and name HN) (segid " " and resid 16 and name HB) 2.487 0.773 0.773 weight 1.000 ! spec=SH3CFn15noe, no=32, id=979, vol=1.470000e+09
assign (segid " " and resid 16 and name HN) (segid " " and resid 16 and name HG12) 2.915 1.062 1.062 weight 1.000 ! spec=SH3CFn15noe, no=33, id=980, vol=5.670000e+08
assign (segid " " and resid 16 and name HN) (segid " " and resid 16 and name HG11) 3.094 1.196 1.196 weight 1.000 ! spec=SH3CFn15noe, no=34, id=981, vol=3.970000e+08
assign (segid " " and resid 16 and name HN) (segid " " and resid 16 and name HD12) 2.822 0.995 0.995 weight 1.000 ! spec=SH3CFn15noe, no=35, id=982, vol=6.890000e+08
assign (segid " " and resid 16 and name HN) (segid " " and resid 15 and name HD1) 2.994 1.121 1.121 weight 1.000 ! spec=SH3CFn15noe, no=36, id=983, vol=4.830000e+08
assign (segid " " and resid 16 and name HN) (segid " " and resid 15 and name HE1) 5.527 3.819 3.819 weight 1.000 ! spec=SH3CFn15noe, no=37, id=984, vol=1.220000e+07
assign (segid " " and resid 16 and name HN) (segid " " and resid 17 and name HD1) 3.165 1.252 1.252 weight 1.000 ! spec=SH3CFn15noe, no=38, id=985, vol=3.460000e+08
assign (segid " " and resid 5 and name HA) (segid " " and resid 6 and name HN) 2.428 0.737 0.737 weight 1.000 ! spec=SH3CFn15noe, no=39, id=986, vol=1.700000e+09
assign (segid " " and resid 6 and name HN) (segid " " and resid 6 and name HA) 2.838 1.007 1.007 weight 1.000 ! spec=SH3CFn15noe, no=40, id=987, vol=6.660000e+08
assign (segid " " and resid 5 and name HB2) (segid " " and resid 6 and name HN) 3.111 1.210 1.210 weight 1.000 ! spec=SH3CFn15noe, no=42, id=989, vol=3.840000e+08
assign (segid " " and resid 7 and name HN) (segid " " and resid 7 and name HB1) 2.968 1.101 1.101 weight 1.000 ! spec=SH3CFn15noe, no=43, id=990, vol=5.090000e+08
assign (segid " " and resid 7 and name HN) (segid " " and resid 6 and name HA) 2.679 0.897 0.897 weight 1.000 ! spec=SH3CFn15noe, no=44, id=991, vol=9.420000e+08
assign (segid " " and resid 7 and name HN) (segid " " and resid 7 and name HD2) 3.607 1.626 1.626 weight 1.000 ! spec=SH3CFn15noe, no=45, id=992, vol=1.580000e+08
assign (segid " " and resid 6 and name HN) (segid " " and resid 7 and name HN) 2.510 0.788 0.788 weight 1.000 ! spec=SH3CFn15noe, no=46, id=993, vol=1.390000e+09
assign (segid " " and resid 7 and name HN) (segid " " and resid 7 and name HB2) 3.378 1.427 1.427 weight 1.000 ! spec=SH3CFn15noe, no=47, id=994, vol=2.340000e+08
assign (segid " " and resid 8 and name HA) (segid " " and resid 8 and name HN) 2.333 0.680 0.680 weight 1.000 ! spec=SH3CFn15noe, no=48, id=995, vol=2.160000e+09
assign (segid " " and resid 8 and name HN) (segid " " and resid 7 and name HA) 2.329 0.678 0.678 weight 1.000 ! spec=SH3CFn15noe, no=49, id=996, vol=2.180000e+09
assign (segid " " and resid 8 and name HB1) (segid " " and resid 8 and name HN) 2.179 0.594 0.594 weight 1.000 ! spec=SH3CFn15noe, no=50, id=997, vol=3.250000e+09
assign (segid " " and resid 8 and name HB1) (segid " " and resid 9 and name HN) 3.100 1.201 1.201 weight 1.000 ! spec=SH3CFn15noe, no=52, id=999, vol=3.920000e+08
assign (segid " " and resid 9 and name HN) (segid " " and resid 9 and name HA) 2.685 0.901 0.901 weight 1.000 ! spec=SH3CFn15noe, no=54, id=1001, vol=9.290000e+08
assign (segid " " and resid 9 and name HN) (segid " " and resid 9 and name HB1) 3.360 1.411 1.411 weight 1.000 ! spec=SH3CFn15noe, no=55, id=1002, vol=2.420000e+08
assign (segid " " and resid 10 and name HN) (segid " " and resid 9 and name HB1) 2.856 1.020 1.020 weight 1.000 ! spec=SH3CFn15noe, no=56, id=1003, vol=6.410000e+08
assign (segid " " and resid 62 and name HA) (segid " " and resid 10 and name HN) 3.501 1.532 1.532 weight 1.000 ! spec=SH3CFn15noe, no=57, id=1004, vol=1.890000e+08
assign (segid " " and resid 10 and name HN) (segid " " and resid 9 and name HA) 2.552 0.814 0.814 weight 1.000 ! spec=SH3CFn15noe, no=58, id=1005, vol=1.260000e+09
assign (segid " " and resid 10 and name HN) (segid " " and resid 10 and name HA) 2.881 1.038 1.038 weight 1.000 ! spec=SH3CFn15noe, no=59, id=1006, vol=6.080000e+08
assign (segid " " and resid 10 and name HN) (segid " " and resid 9 and name HN) 4.150 2.153 2.153 weight 1.000 ! spec=SH3CFn15noe, no=62, id=1008, vol=6.810000e+07
assign (segid " " and resid 10 and name HN) (segid " " and resid 10 and name HG2) 3.335 1.390 1.390 weight 1.000 ! spec=SH3CFn15noe, no=64, id=1010, vol=2.530000e+08
assign (segid " " and resid 10 and name HN) (segid " " and resid 10 and name HB2) 3.159 1.248 1.248 weight 1.000 ! spec=SH3CFn15noe, no=65, id=1011, vol=3.500000e+08
assign (segid " " and resid 12 and name HN) (segid " " and resid 11 and name HA) 2.539 0.806 0.806 weight 1.000 ! spec=SH3CFn15noe, no=68, id=1014, vol=1.300000e+09
assign (segid " " and resid 13 and name HB1) (segid " " and resid 13 and name HN) 2.950 1.088 1.088 weight 1.000 ! spec=SH3CFn15noe, no=71, id=1017, vol=5.280000e+08
assign (segid " " and resid 11 and name HB2) (segid " " and resid 13 and name HN) 3.104 1.204 1.204 weight 1.000 ! spec=SH3CFn15noe, no=72, id=1018, vol=3.890000e+08
assign (segid " " and resid 12 and name HG) (segid " " and resid 13 and name HN) 3.271 1.338 1.338 weight 1.000 ! spec=SH3CFn15noe, no=73, id=1019, vol=2.840000e+08
assign (segid " " and resid 13 and name HN) (segid " " and resid 13 and name HA) 2.639 0.871 0.871 weight 1.000 ! spec=SH3CFn15noe, no=76, id=1022, vol=1.030000e+09
assign (segid " " and resid 13 and name HN) (segid " " and resid 13 and name HD1) 2.854 1.018 1.018 weight 1.000 ! spec=SH3CFn15noe, no=77, id=1023, vol=6.440000e+08
assign (segid " " and resid 13 and name HN) (segid " " and resid 14 and name HN) 3.596 1.616 1.616 weight 1.000 ! spec=SH3CFn15noe, no=78, id=1024, vol=1.610000e+08
assign (segid " " and resid 12 and name HN) (segid " " and resid 13 and name HN) 2.542 0.808 0.808 weight 1.000 ! spec=SH3CFn15noe, no=79, id=1025, vol=1.290000e+09
assign (segid " " and resid 13 and name HN) (segid " " and resid 59 and name HA) 3.159 1.248 1.248 weight 1.000 ! spec=SH3CFn15noe, no=80, id=1026, vol=3.500000e+08
assign (segid " " and resid 13 and name HN) (segid " " and resid 12 and name HA) 3.393 1.439 1.439 weight 1.000 ! spec=SH3CFn15noe, no=81, id=1027, vol=2.280000e+08
assign (segid " " and resid 13 and name HN) (segid " " and resid 27 and name HA) 4.028 2.028 2.028 weight 1.000 ! spec=SH3CFn15noe, no=82, id=1028, vol=8.150000e+07
assign (segid " " and resid 12 and name HB2) (segid " " and resid 13 and name HN) 2.890 1.044 1.044 weight 1.000 ! spec=SH3CFn15noe, no=83, id=1029, vol=5.970000e+08
assign (segid " " and resid 13 and name HN) (segid " " and resid 12 and name HD22) 4.337 2.351 2.351 weight 1.000 ! spec=SH3CFn15noe, no=84, id=1030, vol=5.230000e+07
assign (segid " " and resid 14 and name HN) (segid " " and resid 13 and name HA) 2.317 0.671 0.671 weight 1.000 ! spec=SH3CFn15noe, no=85, id=1031, vol=2.250000e+09
assign (segid " " and resid 14 and name HN) (segid " " and resid 14 and name HA) 3.049 1.162 1.162 weight 1.000 ! spec=SH3CFn15noe, no=86, id=1032, vol=4.330000e+08
assign (segid " " and resid 14 and name HN) (segid " " and resid 27 and name HA) 3.607 1.626 1.626 weight 1.000 ! spec=SH3CFn15noe, no=88, id=1034, vol=1.580000e+08
assign (segid " " and resid 13 and name HB2) (segid " " and resid 14 and name HN) 2.770 0.959 0.959 weight 1.000 ! spec=SH3CFn15noe, no=89, id=1035, vol=7.700000e+08
assign (segid " " and resid 14 and name HN) (segid " " and resid 13 and name HB1) 2.618 0.857 0.857 weight 1.000 ! spec=SH3CFn15noe, no=90, id=1036, vol=1.080000e+09
assign (segid " " and resid 14 and name HN) (segid " " and resid 15 and name HN) 3.946 1.946 1.946 weight 1.000 ! spec=SH3CFn15noe, no=92, id=1037, vol=9.220000e+07
assign (segid " " and resid 14 and name HN) (segid " " and resid 13 and name HD1) 4.502 2.533 2.533 weight 1.000 ! spec=SH3CFn15noe, no=94, id=1039, vol=4.180000e+07
assign (segid " " and resid 15 and name HN) (segid " " and resid 15 and name HD1) 3.585 1.606 1.606 weight 1.000 ! spec=SH3CFn15noe, no=95, id=1040, vol=1.640000e+08
assign (segid " " and resid 15 and name HN) (segid " " and resid 16 and name HN) 3.504 1.535 1.535 weight 1.000 ! spec=SH3CFn15noe, no=96, id=1041, vol=1.880000e+08
assign (segid " " and resid 15 and name HN) (segid " " and resid 25 and name HN) 2.913 1.060 1.060 weight 1.000 ! spec=SH3CFn15noe, no=97, id=1042, vol=5.700000e+08
assign (segid " " and resid 14 and name HA) (segid " " and resid 15 and name HN) 2.482 0.770 0.770 weight 1.000 ! spec=SH3CFn15noe, no=99, id=1044, vol=1.490000e+09
assign (segid " " and resid 15 and name HN) (segid " " and resid 15 and name HB2) 3.371 1.421 1.421 weight 1.000 ! spec=SH3CFn15noe, no=101, id=1046, vol=2.370000e+08
assign (segid " " and resid 15 and name HN) (segid " " and resid 15 and name HB1) 2.968 1.101 1.101 weight 1.000 ! spec=SH3CFn15noe, no=102, id=1047, vol=5.090000e+08
assign (segid " " and resid 15 and name HN) (segid " " and resid 25 and name HB2) 2.888 1.042 1.042 weight 1.000 ! spec=SH3CFn15noe, no=103, id=1048, vol=6.000000e+08
assign (segid " " and resid 15 and name HN) (segid " " and resid 25 and name HG) 4.354 2.369 2.369 weight 1.000 ! spec=SH3CFn15noe, no=104, id=1049, vol=5.110000e+07
assign (segid " " and resid 15 and name HN) (segid " " and resid 25 and name HB1) 3.880 1.882 1.882 weight 1.000 ! spec=SH3CFn15noe, no=105, id=1050, vol=1.020000e+08
assign (segid " " and resid 15 and name HN) (segid " " and resid 25 and name HD12) 3.297 1.359 1.359 weight 1.000 ! spec=SH3CFn15noe, no=106, id=1051, vol=2.710000e+08
assign (segid " " and resid 19 and name HN) (segid " " and resid 18 and name HB2) 2.580 0.832 0.832 weight 1.000 ! spec=SH3CFn15noe, no=107, id=1052, vol=1.180000e+09
assign (segid " " and resid 19 and name HN) (segid " " and resid 18 and name HG2) 3.219 1.295 1.295 weight 1.000 ! spec=SH3CFn15noe, no=108, id=1053, vol=3.130000e+08
assign (segid " " and resid 19 and name HN) (segid " " and resid 19 and name HB1) 3.100 1.201 1.201 weight 1.000 ! spec=SH3CFn15noe, no=109, id=1054, vol=3.920000e+08
assign (segid " " and resid 19 and name HN) (segid " " and resid 19 and name HB2) 3.256 1.325 1.325 weight 1.000 ! spec=SH3CFn15noe, no=110, id=1055, vol=2.920000e+08
assign (segid " " and resid 19 and name HN) (segid " " and resid 17 and name HA) 2.919 1.065 1.065 weight 1.000 ! spec=SH3CFn15noe, no=112, id=1057, vol=5.630000e+08
assign (segid " " and resid 19 and name HN) (segid " " and resid 19 and name HA) 2.695 0.908 0.908 weight 1.000 ! spec=SH3CFn15noe, no=113, id=1058, vol=9.090000e+08
assign (segid " " and resid 19 and name HN) (segid " " and resid 18 and name HN) 2.499 0.780 0.780 weight 1.000 ! spec=SH3CFn15noe, no=114, id=1059, vol=1.430000e+09
assign (segid " " and resid 20 and name HN) (segid " " and resid 19 and name HA) 2.148 0.577 0.577 weight 1.000 ! spec=SH3CFn15noe, no=115, id=1060, vol=3.540000e+09
assign (segid " " and resid 20 and name HN) (segid " " and resid 20 and name HA) 2.893 1.046 1.046 weight 1.000 ! spec=SH3CFn15noe, no=116, id=1061, vol=5.930000e+08
assign (segid " " and resid 20 and name HN) (segid " " and resid 22 and name HN) 3.222 1.298 1.298 weight 1.000 ! spec=SH3CFn15noe, no=117, id=1062, vol=3.110000e+08
assign (segid " " and resid 20 and name HN) (segid " " and resid 20 and name HB1) 4.153 2.156 2.156 weight 1.000 ! spec=SH3CFn15noe, no=118, id=1063, vol=6.780000e+07
assign (segid " " and resid 20 and name HN) (segid " " and resid 19 and name HB1) 2.317 0.671 0.671 weight 1.000 ! spec=SH3CFn15noe, no=119, id=1064, vol=2.250000e+09
assign (segid " " and resid 21 and name HN) (segid " " and resid 21 and name HB2) 2.665 0.888 0.888 weight 1.000 ! spec=SH3CFn15noe, no=120, id=1065, vol=9.720000e+08
assign (segid " " and resid 21 and name HN) (segid " " and resid 21 and name HB1) 2.591 0.839 0.839 weight 1.000 ! spec=SH3CFn15noe, no=121, id=1066, vol=1.150000e+09
assign (segid " " and resid 21 and name HN) (segid " " and resid 20 and name HA) 3.054 1.166 1.166 weight 1.000 ! spec=SH3CFn15noe, no=123, id=1068, vol=4.290000e+08
assign (segid " " and resid 21 and name HN) (segid " " and resid 21 and name HA) 2.639 0.871 0.871 weight 1.000 ! spec=SH3CFn15noe, no=124, id=1069, vol=1.030000e+09
assign (segid " " and resid 22 and name HN) (segid " " and resid 21 and name HA) 2.979 1.109 1.109 weight 1.000 ! spec=SH3CFn15noe, no=127, id=1072, vol=4.980000e+08
assign (segid " " and resid 22 and name HN) (segid " " and resid 20 and name HA) 3.017 1.138 1.138 weight 1.000 ! spec=SH3CFn15noe, no=128, id=1073, vol=4.610000e+08
assign (segid " " and resid 22 and name HA) (segid " " and resid 22 and name HN) 2.969 1.102 1.102 weight 1.000 ! spec=SH3CFn15noe, no=129, id=1074, vol=5.080000e+08
assign (segid " " and resid 21 and name HN) (segid " " and resid 22 and name HN) 2.545 0.810 0.810 weight 1.000 ! spec=SH3CFn15noe, no=130, id=1075, vol=1.280000e+09
assign (segid " " and resid 22 and name HN) (segid " " and resid 21 and name HB1) 2.510 0.788 0.788 weight 1.000 ! spec=SH3CFn15noe, no=133, id=1078, vol=1.390000e+09
assign (segid " " and resid 22 and name HN) (segid " " and resid 22 and name HB2) 2.843 1.010 1.010 weight 1.000 ! spec=SH3CFn15noe, no=134, id=1079, vol=6.590000e+08
assign (segid " " and resid 22 and name HN) (segid " " and resid 22 and name HB1) 2.595 0.842 0.842 weight 1.000 ! spec=SH3CFn15noe, no=135, id=1080, vol=1.140000e+09
assign (segid " " and resid 22 and name HN) (segid " " and resid 17 and name HB1) 2.805 0.984 0.984 weight 1.000 ! spec=SH3CFn15noe, no=136, id=1081, vol=7.140000e+08
assign (segid " " and resid 22 and name HN) (segid " " and resid 21 and name HB2) 3.408 1.452 1.452 weight 1.000 ! spec=SH3CFn15noe, no=137, id=1082, vol=2.220000e+08
assign (segid " " and resid 23 and name HN) (segid " " and resid 22 and name HB2) 2.912 1.060 1.060 weight 1.000 ! spec=SH3CFn15noe, no=138, id=1083, vol=5.710000e+08
assign (segid " " and resid 23 and name HN) (segid " " and resid 23 and name HB2) 2.864 1.026 1.026 weight 1.000 ! spec=SH3CFn15noe, no=139, id=1084, vol=6.300000e+08
assign (segid " " and resid 23 and name HN) (segid " " and resid 22 and name HB1) 2.684 0.900 0.900 weight 1.000 ! spec=SH3CFn15noe, no=140, id=1085, vol=9.310000e+08
assign (segid " " and resid 23 and name HN) (segid " " and resid 54 and name HG21) 3.468 1.503 1.503 weight 1.000 ! spec=SH3CFn15noe, no=141, id=1086, vol=2.000000e+08
assign (segid " " and resid 23 and name HN) (segid " " and resid 23 and name HB1) 2.851 1.016 1.016 weight 1.000 ! spec=SH3CFn15noe, no=142, id=1087, vol=6.480000e+08
assign (segid " " and resid 23 and name HN) (segid " " and resid 23 and name HG) 3.798 1.803 1.803 weight 1.000 ! spec=SH3CFn15noe, no=143, id=1088, vol=1.160000e+08
assign (segid " " and resid 22 and name HA) (segid " " and resid 23 and name HN) 2.657 0.883 0.883 weight 1.000 ! spec=SH3CFn15noe, no=144, id=1089, vol=9.880000e+08
assign (segid " " and resid 23 and name HN) (segid " " and resid 23 and name HA) 3.212 1.289 1.289 weight 1.000 ! spec=SH3CFn15noe, no=145, id=1090, vol=3.170000e+08
assign (segid " " and resid 23 and name HN) (segid " " and resid 53 and name HA1) 3.672 1.685 1.685 weight 1.000 ! spec=SH3CFn15noe, no=146, id=1091, vol=1.420000e+08
assign (segid " " and resid 23 and name HN) (segid " " and resid 55 and name HB2) 3.685 1.697 1.697 weight 1.000 ! spec=SH3CFn15noe, no=147, id=1092, vol=1.390000e+08
assign (segid " " and resid 25 and name HN) (segid " " and resid 25 and name HB2) 2.901 1.052 1.052 weight 1.000 ! spec=SH3CFn15noe, no=148, id=1093, vol=5.840000e+08
assign (segid " " and resid 25 and name HN) (segid " " and resid 24 and name HG2) 2.656 0.882 0.882 weight 1.000 ! spec=SH3CFn15noe, no=149, id=1094, vol=9.910000e+08
assign (segid " " and resid 25 and name HN) (segid " " and resid 24 and name HA) 2.407 0.724 0.724 weight 1.000 ! spec=SH3CFn15noe, no=150, id=1095, vol=1.790000e+09
assign (segid " " and resid 25 and name HN) (segid " " and resid 17 and name HD1) 3.680 1.693 1.693 weight 1.000 ! spec=SH3CFn15noe, no=151, id=1096, vol=1.400000e+08
assign (segid " " and resid 25 and name HN) (segid " " and resid 15 and name HD1) 3.893 1.894 1.894 weight 1.000 ! spec=SH3CFn15noe, no=153, id=1098, vol=1.000000e+08
assign (segid " " and resid 28 and name HN) (segid " " and resid 27 and name HA) 2.123 0.563 0.563 weight 1.000 ! spec=SH3CFn15noe, no=154, id=1099, vol=3.800000e+09
assign (segid " " and resid 28 and name HN) (segid " " and resid 10 and name HG2) 3.186 1.268 1.268 weight 1.000 ! spec=SH3CFn15noe, no=156, id=1101, vol=3.330000e+08
assign (segid " " and resid 28 and name HN) (segid " " and resid 27 and name HB1) 3.328 1.385 1.385 weight 1.000 ! spec=SH3CFn15noe, no=157, id=1102, vol=2.560000e+08
assign (segid " " and resid 28 and name HN) (segid " " and resid 11 and name HN) 3.328 1.385 1.385 weight 1.000 ! spec=SH3CFn15noe, no=159, id=1104, vol=2.560000e+08
assign (segid " " and resid 53 and name HN) (segid " " and resid 52 and name HD2) 3.219 1.295 1.295 weight 1.000 ! spec=SH3CFn15noe, no=162, id=1107, vol=3.130000e+08
assign (segid " " and resid 30 and name HN) (segid " " and resid 30 and name HA) 3.053 1.165 1.165 weight 1.000 ! spec=SH3CFn15noe, no=163, id=1108, vol=4.300000e+08
assign (segid " " and resid 30 and name HN) (segid " " and resid 29 and name HA) 2.353 0.692 0.692 weight 1.000 ! spec=SH3CFn15noe, no=164, id=1109, vol=2.050000e+09
assign (segid " " and resid 30 and name HN) (segid " " and resid 31 and name HN) 3.694 1.705 1.705 weight 1.000 ! spec=SH3CFn15noe, no=165, id=1110, vol=1.370000e+08
assign (segid " " and resid 30 and name HN) (segid " " and resid 29 and name HB1) 3.451 1.489 1.489 weight 1.000 ! spec=SH3CFn15noe, no=166, id=1111, vol=2.060000e+08
assign (segid " " and resid 30 and name HB) (segid " " and resid 30 and name HN) 2.573 0.827 0.827 weight 1.000 ! spec=SH3CFn15noe, no=167, id=1112, vol=1.200000e+09
assign (segid " " and resid 30 and name HN) (segid " " and resid 11 and name HB2) 4.158 2.161 2.161 weight 1.000 ! spec=SH3CFn15noe, no=168, id=1113, vol=6.730000e+07
assign (segid " " and resid 30 and name HN) (segid " " and resid 30 and name HG11) 3.011 1.133 1.133 weight 1.000 ! spec=SH3CFn15noe, no=169, id=1114, vol=4.670000e+08
assign (segid " " and resid 30 and name HN) (segid " " and resid 30 and name HD12) 2.654 0.880 0.880 weight 1.000 ! spec=SH3CFn15noe, no=170, id=1115, vol=9.960000e+08
assign (segid " " and resid 32 and name HN) (segid " " and resid 31 and name HG22) 3.249 1.319 1.319 weight 1.000 ! spec=SH3CFn15noe, no=171, id=1116, vol=2.960000e+08
assign (segid " " and resid 32 and name HN) (segid " " and resid 32 and name HB2) 2.566 0.823 0.823 weight 1.000 ! spec=SH3CFn15noe, no=172, id=1117, vol=1.220000e+09
assign (segid " " and resid 32 and name HN) (segid " " and resid 47 and name HN) 3.443 1.482 1.482 weight 1.000 ! spec=SH3CFn15noe, no=173, id=1118, vol=2.090000e+08
assign (segid " " and resid 32 and name HN) (segid " " and resid 31 and name HN) 3.386 1.433 1.433 weight 1.000 ! spec=SH3CFn15noe, no=174, id=1119, vol=2.310000e+08
assign (segid " " and resid 32 and name HN) (segid " " and resid 45 and name HN) 3.141 1.234 1.234 weight 1.000 ! spec=SH3CFn15noe, no=175, id=1120, vol=3.620000e+08
assign (segid " " and resid 39 and name HN) (segid " " and resid 38 and name HN) 3.391 1.437 1.437 weight 1.000 ! spec=SH3CFn15noe, no=176, id=1121, vol=2.290000e+08
assign (segid " " and resid 39 and name HN) (segid " " and resid 39 and name HA) 2.813 0.989 0.989 weight 1.000 ! spec=SH3CFn15noe, no=178, id=1123, vol=7.030000e+08
assign (segid " " and resid 39 and name HN) (segid " " and resid 37 and name HB2) 3.192 1.274 1.274 weight 1.000 ! spec=SH3CFn15noe, no=179, id=1124, vol=3.290000e+08
assign (segid " " and resid 43 and name HN) (segid " " and resid 42 and name HB2) 2.250 0.633 0.633 weight 1.000 ! spec=SH3CFn15noe, no=181, id=1126, vol=2.680000e+09
assign (segid " " and resid 43 and name HN) (segid " " and resid 43 and name HB) 2.652 0.879 0.879 weight 1.000 ! spec=SH3CFn15noe, no=182, id=1127, vol=1.000000e+09
assign (segid " " and resid 43 and name HN) (segid " " and resid 36 and name HA) 3.655 1.670 1.670 weight 1.000 ! spec=SH3CFn15noe, no=183, id=1128, vol=1.460000e+08
assign (segid " " and resid 43 and name HN) (segid " " and resid 43 and name HA) 3.504 1.535 1.535 weight 1.000 ! spec=SH3CFn15noe, no=184, id=1129, vol=1.880000e+08
assign (segid " " and resid 43 and name HN) (segid " " and resid 42 and name HA) 2.657 0.882 0.882 weight 1.000 ! spec=SH3CFn15noe, no=185, id=1130, vol=9.900000e+08
assign (segid " " and resid 43 and name HN) (segid " " and resid 42 and name HD1) 2.893 1.046 1.046 weight 1.000 ! spec=SH3CFn15noe, no=186, id=1131, vol=5.940000e+08
assign (segid " " and resid 43 and name HN) (segid " " and resid 44 and name HN) 3.341 1.396 1.396 weight 1.000 ! spec=SH3CFn15noe, no=188, id=1133, vol=2.500000e+08
assign (segid " " and resid 51 and name HN) (segid " " and resid 50 and name HD2) 3.585 1.606 1.606 weight 1.000 ! spec=SH3CFn15noe, no=189, id=1134, vol=1.640000e+08
assign (segid " " and resid 51 and name HN) (segid " " and resid 50 and name HG2) 5.527 3.819 3.819 weight 1.000 ! spec=SH3CFn15noe, no=190, id=1135, vol=1.220000e+07
assign (segid " " and resid 51 and name HN) (segid " " and resid 50 and name HG1) 4.142 2.145 2.145 weight 1.000 ! spec=SH3CFn15noe, no=191, id=1136, vol=6.890000e+07
assign (segid " " and resid 51 and name HN) (segid " " and resid 51 and name HB2) 2.827 0.999 0.999 weight 1.000 ! spec=SH3CFn15noe, no=192, id=1137, vol=6.810000e+08
assign (segid " " and resid 51 and name HN) (segid " " and resid 51 and name HB1) 2.817 0.992 0.992 weight 1.000 ! spec=SH3CFn15noe, no=193, id=1138, vol=6.970000e+08
assign (segid " " and resid 51 and name HN) (segid " " and resid 50 and name HA) 3.061 1.171 1.171 weight 1.000 ! spec=SH3CFn15noe, no=196, id=1141, vol=4.230000e+08
assign (segid " " and resid 52 and name HB1) (segid " " and resid 53 and name HN) 3.078 1.184 1.184 weight 1.000 ! spec=SH3CFn15noe, no=198, id=1143, vol=4.090000e+08
assign (segid " " and resid 63 and name HN) (segid " " and resid 63 and name HG) 3.335 1.390 1.390 weight 1.000 ! spec=SH3CFn15noe, no=199, id=1144, vol=2.530000e+08
assign (segid " " and resid 63 and name HN) (segid " " and resid 63 and name HA) 2.952 1.089 1.089 weight 1.000 ! spec=SH3CFn15noe, no=201, id=1146, vol=5.260000e+08
assign (segid " " and resid 2 and name HN) (segid " " and resid 1 and name HA) 3.034 1.151 1.151 weight 1.000 ! spec=SH3CFn15noe, no=204, id=1149, vol=4.460000e+08
assign (segid " " and resid 3 and name HN) (segid " " and resid 2 and name HA) 2.998 1.124 1.124 weight 1.000 ! spec=SH3CFn15noe, no=205, id=1150, vol=4.790000e+08
assign (segid " " and resid 3 and name HN) (segid " " and resid 3 and name HB2) 3.210 1.288 1.288 weight 1.000 ! spec=SH3CFn15noe, no=206, id=1151, vol=3.180000e+08
assign (segid " " and resid 4 and name HN) (segid " " and resid 3 and name HA) 2.549 0.812 0.812 weight 1.000 ! spec=SH3CFn15noe, no=207, id=1152, vol=1.270000e+09
assign (segid " " and resid 4 and name HN) (segid " " and resid 3 and name HB2) 3.703 1.714 1.714 weight 1.000 ! spec=SH3CFn15noe, no=208, id=1153, vol=1.350000e+08
assign (segid " " and resid 4 and name HN) (segid " " and resid 4 and name HG2) 3.348 1.401 1.401 weight 1.000 ! spec=SH3CFn15noe, no=209, id=1154, vol=2.470000e+08
assign (segid " " and resid 4 and name HN) (segid " " and resid 4 and name HB2) 3.421 1.463 1.463 weight 1.000 ! spec=SH3CFn15noe, no=210, id=1155, vol=2.170000e+08
assign (segid " " and resid 4 and name HN) (segid " " and resid 4 and name HB1) 3.047 1.160 1.160 weight 1.000 ! spec=SH3CFn15noe, no=211, id=1156, vol=4.350000e+08
assign (segid " " and resid 5 and name HB2) (segid " " and resid 5 and name HN) 2.686 0.902 0.902 weight 1.000 ! spec=SH3CFn15noe, no=212, id=1157, vol=9.270000e+08
assign (segid " " and resid 5 and name HN) (segid " " and resid 4 and name HG2) 1.543 0.298 0.298 weight 1.000 ! spec=SH3CFn15noe, no=213, id=1158, vol=2.580000e+10
assign (segid " " and resid 5 and name HN) (segid " " and resid 4 and name HB2) 3.179 1.263 1.263 weight 1.000 ! spec=SH3CFn15noe, no=214, id=1159, vol=3.370000e+08
assign (segid " " and resid 5 and name HN) (segid " " and resid 4 and name HB1) 1.652 0.341 0.341 weight 1.000 ! spec=SH3CFn15noe, no=215, id=1160, vol=1.710000e+10
assign (segid " " and resid 5 and name HN) (segid " " and resid 4 and name HA) 2.846 1.012 1.012 weight 1.000 ! spec=SH3CFn15noe, no=216, id=1161, vol=6.550000e+08
assign (segid " " and resid 5 and name HA) (segid " " and resid 5 and name HN) 2.801 0.980 0.980 weight 1.000 ! spec=SH3CFn15noe, no=217, id=1162, vol=7.210000e+08
assign (segid " " and resid 5 and name HN) (segid " " and resid 6 and name HN) 3.074 1.182 1.182 weight 1.000 ! spec=SH3CFn15noe, no=218, id=1163, vol=4.120000e+08
assign (segid " " and resid 6 and name HN) (segid " " and resid 6 and name HG) 3.526 1.554 1.554 weight 1.000 ! spec=SH3CFn15noe, no=219, id=1164, vol=1.810000e+08
assign (segid " " and resid 6 and name HN) (segid " " and resid 6 and name HD12) 4.146 2.149 2.149 weight 1.000 ! spec=SH3CFn15noe, no=220, id=1165, vol=6.850000e+07
assign (segid " " and resid 6 and name HN) (segid " " and resid 6 and name HD22) 4.355 2.371 2.371 weight 1.000 ! spec=SH3CFn15noe, no=221, id=1166, vol=5.100000e+07
assign (segid " " and resid 7 and name HN) (segid " " and resid 6 and name HB2) 3.224 1.299 1.299 weight 1.000 ! spec=SH3CFn15noe, no=223, id=1168, vol=3.100000e+08
assign (segid " " and resid 7 and name HN) (segid " " and resid 6 and name HD22) 3.798 1.803 1.803 weight 1.000 ! spec=SH3CFn15noe, no=224, id=1169, vol=1.160000e+08
or (segid " " and resid 7 and name HN) (segid " " and resid 6 and name HD21)
or (segid " " and resid 7 and name HN) (segid " " and resid 6 and name HD23)
assign (segid " " and resid 7 and name HN) (segid " " and resid 6 and name HD12) 3.928 1.928 1.928 weight 1.000 ! spec=SH3CFn15noe, no=225, id=1170, vol=9.480000e+07
or (segid " " and resid 7 and name HN) (segid " " and resid 6 and name HD11)
or (segid " " and resid 7 and name HN) (segid " " and resid 6 and name HD13)
assign (segid " " and resid 9 and name HN) (segid " " and resid 30 and name HG22) 3.150 1.241 1.241 weight 1.000 ! spec=SH3CFn15noe, no=226, id=1171, vol=3.560000e+08
assign (segid " " and resid 9 and name HN) (segid " " and resid 9 and name HB2) 2.320 0.673 0.673 weight 1.000 ! spec=SH3CFn15noe, no=227, id=1172, vol=2.230000e+09
assign (segid " " and resid 8 and name HB2) (segid " " and resid 9 and name HN) 3.032 1.149 1.149 weight 1.000 ! spec=SH3CFn15noe, no=228, id=1173, vol=4.480000e+08
assign (segid " " and resid 9 and name HN) (segid " " and resid 9 and name HD1) 3.489 1.521 1.521 weight 1.000 ! spec=SH3CFn15noe, no=229, id=1174, vol=1.930000e+08
assign (segid " " and resid 9 and name HN) (segid " " and resid 31 and name HG12) 3.880 1.882 1.882 weight 1.000 ! spec=SH3CFn15noe, no=230, id=1175, vol=1.020000e+08
assign (segid " " and resid 10 and name HN) (segid " " and resid 10 and name HB1) 2.631 0.865 0.865 weight 1.000 ! spec=SH3CFn15noe, no=231, id=1176, vol=1.050000e+09
assign (segid " " and resid 10 and name HN) (segid " " and resid 61 and name HG1) 2.782 0.967 0.967 weight 1.000 ! spec=SH3CFn15noe, no=232, id=1177, vol=7.510000e+08
assign (segid " " and resid 10 and name HN) (segid " " and resid 63 and name HD12) 3.563 1.587 1.587 weight 1.000 ! spec=SH3CFn15noe, no=234, id=1179, vol=1.700000e+08
assign (segid " " and resid 10 and name HN) (segid " " and resid 60 and name HG12) 3.615 1.633 1.633 weight 1.000 ! spec=SH3CFn15noe, no=235, id=1180, vol=1.560000e+08
assign (segid " " and resid 11 and name HN) (segid " " and resid 29 and name HB1) 3.855 1.858 1.858 weight 1.000 ! spec=SH3CFn15noe, no=236, id=1181, vol=1.060000e+08
assign (segid " " and resid 11 and name HN) (segid " " and resid 29 and name HB2) 4.552 2.590 2.590 weight 1.000 ! spec=SH3CFn15noe, no=237, id=1182, vol=3.910000e+07
assign (segid " " and resid 11 and name HN) (segid " " and resid 60 and name HG12) 2.861 1.023 1.023 weight 1.000 ! spec=SH3CFn15noe, no=238, id=1183, vol=6.340000e+08
assign (segid " " and resid 11 and name HB2) (segid " " and resid 29 and name HN) 2.626 0.862 0.862 weight 1.000 ! spec=SH3CFn15noe, no=240, id=1184, vol=1.060000e+09
assign (segid " " and resid 29 and name HN) (segid " " and resid 10 and name HG2) 3.638 1.655 1.655 weight 1.000 ! spec=SH3CFn15noe, no=241, id=1185, vol=1.500000e+08
assign (segid " " and resid 59 and name HN) (segid " " and resid 56 and name HB2) 4.003 2.003 2.003 weight 1.000 ! spec=SH3CFn15noe, no=242, id=1186, vol=8.460000e+07
assign (segid " " and resid 61 and name HN) (segid " " and resid 61 and name HG2) 2.648 0.876 0.876 weight 1.000 ! spec=SH3CFn15noe, no=243, id=1187, vol=1.010000e+09
assign (segid " " and resid 12 and name HG) (segid " " and resid 12 and name HN) 2.915 1.062 1.062 weight 1.000 ! spec=SH3CFn15noe, no=245, id=1189, vol=5.670000e+08
assign (segid " " and resid 12 and name HN) (segid " " and resid 12 and name HB1) 3.411 1.454 1.454 weight 1.000 ! spec=SH3CFn15noe, no=246, id=1190, vol=2.210000e+08
assign (segid " " and resid 12 and name HN) (segid " " and resid 12 and name HB2) 2.294 0.658 0.658 weight 1.000 ! spec=SH3CFn15noe, no=247, id=1191, vol=2.390000e+09
assign (segid " " and resid 12 and name HN) (segid " " and resid 12 and name HD22) 3.376 1.425 1.425 weight 1.000 ! spec=SH3CFn15noe, no=248, id=1192, vol=2.350000e+08
assign (segid " " and resid 12 and name HN) (segid " " and resid 12 and name HD12) 4.895 2.995 2.995 weight 1.000 ! spec=SH3CFn15noe, no=249, id=1193, vol=2.530000e+07
assign (segid " " and resid 38 and name HN) (segid " " and resid 37 and name HA) 2.322 0.674 0.674 weight 1.000 ! spec=SH3CFn15noe, no=250, id=1194, vol=2.220000e+09
assign (segid " " and resid 38 and name HN) (segid " " and resid 37 and name HB1) 2.780 0.966 0.966 weight 1.000 ! spec=SH3CFn15noe, no=251, id=1195, vol=7.540000e+08
assign (segid " " and resid 38 and name HN) (segid " " and resid 38 and name HB2) 2.827 0.999 0.999 weight 1.000 ! spec=SH3CFn15noe, no=252, id=1196, vol=6.810000e+08
assign (segid " " and resid 18 and name HN) (segid " " and resid 18 and name HA) 2.245 0.630 0.630 weight 1.000 ! spec=SH3CFn15noe, no=256, id=1200, vol=2.720000e+09
assign (segid " " and resid 18 and name HN) (segid " " and resid 17 and name HA) 2.513 0.790 0.790 weight 1.000 ! spec=SH3CFn15noe, no=257, id=1201, vol=1.380000e+09
assign (segid " " and resid 18 and name HN) (segid " " and resid 15 and name HE1) 3.619 1.637 1.637 weight 1.000 ! spec=SH3CFn15noe, no=259, id=1202, vol=1.550000e+08
assign (segid " " and resid 18 and name HN) (segid " " and resid 19 and name HB1) 4.169 2.172 2.172 weight 1.000 ! spec=SH3CFn15noe, no=261, id=1204, vol=6.630000e+07
assign (segid " " and resid 18 and name HN) (segid " " and resid 18 and name HG2) 3.267 1.334 1.334 weight 1.000 ! spec=SH3CFn15noe, no=262, id=1205, vol=2.860000e+08
assign (segid " " and resid 18 and name HN) (segid " " and resid 18 and name HG1) 2.957 1.093 1.093 weight 1.000 ! spec=SH3CFn15noe, no=263, id=1206, vol=5.200000e+08
assign (segid " " and resid 18 and name HN) (segid " " and resid 18 and name HB2) 3.013 1.135 1.135 weight 1.000 ! spec=SH3CFn15noe, no=264, id=1207, vol=4.650000e+08
assign (segid " " and resid 18 and name HN) (segid " " and resid 18 and name HB1) 2.744 0.941 0.941 weight 1.000 ! spec=SH3CFn15noe, no=265, id=1208, vol=8.150000e+08
assign (segid " " and resid 19 and name HN) (segid " " and resid 17 and name HG1) 4.260 2.269 2.269 weight 1.000 ! spec=SH3CFn15noe, no=266, id=1209, vol=5.820000e+07
assign (segid " " and resid 19 and name HN) (segid " " and resid 18 and name HB1) 3.307 1.367 1.367 weight 1.000 ! spec=SH3CFn15noe, no=267, id=1210, vol=2.660000e+08
assign (segid " " and resid 20 and name HN) (segid " " and resid 19 and name HB2) 5.037 3.172 3.172 weight 1.000 ! spec=SH3CFn15noe, no=268, id=1211, vol=2.130000e+07
assign (segid " " and resid 45 and name HN) (segid " " and resid 52 and name HD2) 3.256 1.325 1.325 weight 1.000 ! spec=SH3CFn15noe, no=269, id=1212, vol=2.920000e+08
assign (segid " " and resid 54 and name HN) (segid " " and resid 54 and name HA) 3.672 1.685 1.685 weight 1.000 ! spec=SH3CFn15noe, no=270, id=1213, vol=1.420000e+08
assign (segid " " and resid 54 and name HN) (segid " " and resid 54 and name HG1) 3.078 1.184 1.184 weight 1.000 ! spec=SH3CFn15noe, no=271, id=1214, vol=4.090000e+08
assign (segid " " and resid 45 and name HN) (segid " " and resid 44 and name HA1) 2.513 0.790 0.790 weight 1.000 ! spec=SH3CFn15noe, no=273, id=1216, vol=1.380000e+09
assign (segid " " and resid 45 and name HN) (segid " " and resid 45 and name HB) 2.058 0.529 0.529 weight 1.000 ! spec=SH3CFn15noe, no=274, id=1217, vol=4.580000e+09
assign (segid " " and resid 45 and name HN) (segid " " and resid 45 and name HA) 2.591 0.839 0.839 weight 1.000 ! spec=SH3CFn15noe, no=275, id=1218, vol=1.150000e+09
assign (segid " " and resid 54 and name HN) (segid " " and resid 23 and name HN) 2.914 1.062 1.062 weight 1.000 ! spec=SH3CFn15noe, no=276, id=1219, vol=5.680000e+08
assign (segid " " and resid 45 and name HN) (segid " " and resid 44 and name HN) 3.585 1.606 1.606 weight 1.000 ! spec=SH3CFn15noe, no=277, id=1220, vol=1.640000e+08
assign (segid " " and resid 54 and name HN) (segid " " and resid 54 and name HG21) 2.545 0.810 0.810 weight 1.000 ! spec=SH3CFn15noe, no=281, id=1221, vol=1.280000e+09
assign (segid " " and resid 45 and name HN) (segid " " and resid 34 and name HG2) 5.938 4.407 4.407 weight 1.000 ! spec=SH3CFn15noe, no=282, id=1222, vol=7.940000e+06
assign (segid " " and resid 45 and name HN) (segid " " and resid 33 and name HN) 3.454 1.491 1.491 weight 1.000 ! spec=SH3CFn15noe, no=284, id=1223, vol=2.050000e+08
assign (segid " " and resid 31 and name HN) (segid " " and resid 11 and name HN) 3.448 1.486 1.486 weight 1.000 ! spec=SH3CFn15noe, no=285, id=1224, vol=2.070000e+08
assign (segid " " and resid 31 and name HN) (segid " " and resid 30 and name HA) 2.394 0.716 0.716 weight 1.000 ! spec=SH3CFn15noe, no=288, id=1227, vol=1.850000e+09
assign (segid " " and resid 31 and name HN) (segid " " and resid 31 and name HA) 3.311 1.371 1.371 weight 1.000 ! spec=SH3CFn15noe, no=289, id=1228, vol=2.640000e+08
assign (segid " " and resid 31 and name HN) (segid " " and resid 9 and name HB2) 3.265 1.333 1.333 weight 1.000 ! spec=SH3CFn15noe, no=290, id=1229, vol=2.870000e+08
assign (segid " " and resid 31 and name HN) (segid " " and resid 30 and name HB) 2.990 1.117 1.117 weight 1.000 ! spec=SH3CFn15noe, no=292, id=1231, vol=4.870000e+08
assign (segid " " and resid 31 and name HN) (segid " " and resid 30 and name HG22) 2.357 0.694 0.694 weight 1.000 ! spec=SH3CFn15noe, no=293, id=1232, vol=2.030000e+09
assign (segid " " and resid 31 and name HN) (segid " " and resid 30 and name HG11) 2.842 1.010 1.010 weight 1.000 ! spec=SH3CFn15noe, no=294, id=1233, vol=6.600000e+08
assign (segid " " and resid 32 and name HN) (segid " " and resid 31 and name HG12) 2.893 1.046 1.046 weight 1.000 ! spec=SH3CFn15noe, no=295, id=1234, vol=5.930000e+08
assign (segid " " and resid 31 and name HN) (segid " " and resid 31 and name HG22) 3.079 1.185 1.185 weight 1.000 ! spec=SH3CFn15noe, no=296, id=1235, vol=4.080000e+08
assign (segid " " and resid 23 and name HN) (segid " " and resid 55 and name HA) 3.685 1.697 1.697 weight 1.000 ! spec=SH3CFn15noe, no=297, id=1236, vol=1.390000e+08
assign (segid " " and resid 22 and name HN) (segid " " and resid 23 and name HN) 3.247 1.318 1.318 weight 1.000 ! spec=SH3CFn15noe, no=298, id=1237, vol=2.970000e+08
assign (segid " " and resid 23 and name HN) (segid " " and resid 24 and name HN) 3.776 1.782 1.782 weight 1.000 ! spec=SH3CFn15noe, no=299, id=1238, vol=1.200000e+08
assign (segid " " and resid 55 and name HN) (segid " " and resid 55 and name HD1) 3.667 1.681 1.681 weight 1.000 ! spec=SH3CFn15noe, no=301, id=1240, vol=1.430000e+08
assign (segid " " and resid 55 and name HN) (segid " " and resid 42 and name HN) 3.231 1.305 1.305 weight 1.000 ! spec=SH3CFn15noe, no=303, id=1241, vol=3.060000e+08
assign (segid " " and resid 42 and name HN) (segid " " and resid 42 and name HD1) 3.034 1.151 1.151 weight 1.000 ! spec=SH3CFn15noe, no=304, id=1242, vol=4.460000e+08
assign (segid " " and resid 46 and name HN) (segid " " and resid 45 and name HG1) 3.012 1.134 1.134 weight 1.000 ! spec=SH3CFn15noe, no=307, id=1245, vol=4.660000e+08
assign (segid " " and resid 46 and name HN) (segid " " and resid 45 and name HA) 2.471 0.763 0.763 weight 1.000 ! spec=SH3CFn15noe, no=308, id=1246, vol=1.530000e+09
assign (segid " " and resid 42 and name HN) (segid " " and resid 42 and name HA) 2.435 0.741 0.741 weight 1.000 ! spec=SH3CFn15noe, no=309, id=1247, vol=1.670000e+09
assign (segid " " and resid 42 and name HN) (segid " " and resid 41 and name HB2) 2.693 0.906 0.906 weight 1.000 ! spec=SH3CFn15noe, no=311, id=1249, vol=9.130000e+08
assign (segid " " and resid 42 and name HN) (segid " " and resid 42 and name HB2) 2.698 0.910 0.910 weight 1.000 ! spec=SH3CFn15noe, no=313, id=1251, vol=9.020000e+08
assign (segid " " and resid 42 and name HN) (segid " " and resid 42 and name HB1) 2.246 0.631 0.631 weight 1.000 ! spec=SH3CFn15noe, no=314, id=1252, vol=2.710000e+09
assign (segid " " and resid 42 and name HN) (segid " " and resid 41 and name HB1) 2.894 1.047 1.047 weight 1.000 ! spec=SH3CFn15noe, no=315, id=1253, vol=5.920000e+08
assign (segid " " and resid 40 and name HN) (segid " " and resid 37 and name HN) 3.978 1.978 1.978 weight 1.000 ! spec=SH3CFn15noe, no=316, id=1254, vol=8.780000e+07
assign (segid " " and resid 40 and name HN) (segid " " and resid 42 and name HD1) 3.182 1.266 1.266 weight 1.000 ! spec=SH3CFn15noe, no=317, id=1255, vol=3.350000e+08
assign (segid " " and resid 40 and name HN) (segid " " and resid 39 and name HA) 3.630 1.647 1.647 weight 1.000 ! spec=SH3CFn15noe, no=318, id=1256, vol=1.520000e+08
assign (segid " " and resid 40 and name HN) (segid " " and resid 38 and name HA) 3.123 1.219 1.219 weight 1.000 ! spec=SH3CFn15noe, no=319, id=1257, vol=3.750000e+08
assign (segid " " and resid 40 and name HN) (segid " " and resid 40 and name HA1) 2.545 0.810 0.810 weight 1.000 ! spec=SH3CFn15noe, no=321, id=1259, vol=1.280000e+09
assign (segid " " and resid 40 and name HN) (segid " " and resid 39 and name HB2) 3.371 1.421 1.421 weight 1.000 ! spec=SH3CFn15noe, no=323, id=1261, vol=2.370000e+08
assign (segid " " and resid 46 and name HN) (segid " " and resid 46 and name HA) 3.208 1.287 1.287 weight 1.000 ! spec=SH3CFn15noe, no=324, id=1262, vol=3.190000e+08
assign (segid " " and resid 52 and name HN) (segid " " and resid 23 and name HD22) 3.269 1.336 1.336 weight 1.000 ! spec=SH3CFn15noe, no=325, id=1263, vol=2.850000e+08
assign (segid " " and resid 52 and name HN) (segid " " and resid 45 and name HG21) 3.305 1.365 1.365 weight 1.000 ! spec=SH3CFn15noe, no=326, id=1264, vol=2.670000e+08
assign (segid " " and resid 24 and name HN) (segid " " and resid 23 and name HD22) 2.790 0.973 0.973 weight 1.000 ! spec=SH3CFn15noe, no=327, id=1265, vol=7.380000e+08
assign (segid " " and resid 24 and name HN) (segid " " and resid 24 and name HG2) 3.295 1.357 1.357 weight 1.000 ! spec=SH3CFn15noe, no=329, id=1267, vol=2.720000e+08
assign (segid " " and resid 24 and name HN) (segid " " and resid 17 and name HG2) 3.638 1.655 1.655 weight 1.000 ! spec=SH3CFn15noe, no=330, id=1268, vol=1.500000e+08
assign (segid " " and resid 24 and name HN) (segid " " and resid 24 and name HB1) 2.648 0.876 0.876 weight 1.000 ! spec=SH3CFn15noe, no=331, id=1269, vol=1.010000e+09
assign (segid " " and resid 24 and name HN) (segid " " and resid 23 and name HB2) 3.904 1.905 1.905 weight 1.000 ! spec=SH3CFn15noe, no=332, id=1270, vol=9.830000e+07
assign (segid " " and resid 24 and name HN) (segid " " and resid 23 and name HD12) 3.408 1.452 1.452 weight 1.000 ! spec=SH3CFn15noe, no=333, id=1271, vol=2.220000e+08
assign (segid " " and resid 24 and name HN) (segid " " and resid 24 and name HG1) 2.855 1.019 1.019 weight 1.000 ! spec=SH3CFn15noe, no=334, id=1272, vol=6.420000e+08
assign (segid " " and resid 41 and name HN) (segid " " and resid 42 and name HN) 3.756 1.763 1.763 weight 1.000 ! spec=SH3CFn15noe, no=335, id=1273, vol=1.240000e+08
assign (segid " " and resid 41 and name HN) (segid " " and resid 41 and name HD1) 2.849 1.015 1.015 weight 1.000 ! spec=SH3CFn15noe, no=336, id=1274, vol=6.500000e+08
assign (segid " " and resid 24 and name HN) (segid " " and resid 24 and name HA) 2.949 1.087 1.087 weight 1.000 ! spec=SH3CFn15noe, no=337, id=1275, vol=5.290000e+08
assign (segid " " and resid 24 and name HN) (segid " " and resid 23 and name HA) 2.286 0.653 0.653 weight 1.000 ! spec=SH3CFn15noe, no=338, id=1276, vol=2.440000e+09
assign (segid " " and resid 41 and name HN) (segid " " and resid 41 and name HB1) 2.830 1.001 1.001 weight 1.000 ! spec=SH3CFn15noe, no=339, id=1277, vol=6.780000e+08
assign (segid " " and resid 41 and name HN) (segid " " and resid 41 and name HB2) 2.721 0.925 0.925 weight 1.000 ! spec=SH3CFn15noe, no=340, id=1278, vol=8.580000e+08
assign (segid " " and resid 41 and name HN) (segid " " and resid 37 and name HB2) 2.771 0.960 0.960 weight 1.000 ! spec=SH3CFn15noe, no=341, id=1279, vol=7.690000e+08
assign (segid " " and resid 41 and name HN) (segid " " and resid 40 and name HA1) 2.622 0.860 0.860 weight 1.000 ! spec=SH3CFn15noe, no=342, id=1280, vol=1.070000e+09
assign (segid " " and resid 25 and name HN) (segid " " and resid 25 and name HB1) 3.140 1.232 1.232 weight 1.000 ! spec=SH3CFn15noe, no=343, id=1281, vol=3.630000e+08
assign (segid " " and resid 25 and name HN) (segid " " and resid 25 and name HD22) 4.660 2.714 2.714 weight 1.000 ! spec=SH3CFn15noe, no=344, id=1282, vol=3.400000e+07
assign (segid " " and resid 25 and name HN) (segid " " and resid 25 and name HD12) 2.950 1.088 1.088 weight 1.000 ! spec=SH3CFn15noe, no=345, id=1283, vol=5.280000e+08
assign (segid " " and resid 25 and name HN) (segid " " and resid 17 and name HD2) 3.513 1.543 1.543 weight 1.000 ! spec=SH3CFn15noe, no=346, id=1284, vol=1.850000e+08
assign (segid " " and resid 25 and name HN) (segid " " and resid 15 and name HB2) 3.339 1.394 1.394 weight 1.000 ! spec=SH3CFn15noe, no=348, id=1286, vol=2.510000e+08
assign (segid " " and resid 25 and name HN) (segid " " and resid 25 and name HG) 3.066 1.175 1.175 weight 1.000 ! spec=SH3CFn15noe, no=350, id=1288, vol=4.190000e+08
assign (segid " " and resid 26 and name HN) (segid " " and resid 25 and name HD22) 3.051 1.164 1.164 weight 1.000 ! spec=SH3CFn15noe, no=351, id=1289, vol=4.310000e+08
assign (segid " " and resid 26 and name HN) (segid " " and resid 25 and name HB1) 3.073 1.181 1.181 weight 1.000 ! spec=SH3CFn15noe, no=352, id=1290, vol=4.130000e+08
assign (segid " " and resid 26 and name HN) (segid " " and resid 25 and name HG) 3.776 1.782 1.782 weight 1.000 ! spec=SH3CFn15noe, no=353, id=1291, vol=1.200000e+08
assign (segid " " and resid 26 and name HN) (segid " " and resid 26 and name HB2) 2.919 1.065 1.065 weight 1.000 ! spec=SH3CFn15noe, no=354, id=1292, vol=5.620000e+08
assign (segid " " and resid 26 and name HN) (segid " " and resid 26 and name HB1) 2.985 1.114 1.114 weight 1.000 ! spec=SH3CFn15noe, no=355, id=1293, vol=4.920000e+08
assign (segid " " and resid 26 and name HN) (segid " " and resid 26 and name HA) 2.827 0.999 0.999 weight 1.000 ! spec=SH3CFn15noe, no=357, id=1295, vol=6.820000e+08
assign (segid " " and resid 26 and name HN) (segid " " and resid 25 and name HA) 2.375 0.705 0.705 weight 1.000 ! spec=SH3CFn15noe, no=358, id=1296, vol=1.940000e+09
assign (segid " " and resid 26 and name HN) (segid " " and resid 29 and name HN) 3.585 1.606 1.606 weight 1.000 ! spec=SH3CFn15noe, no=360, id=1298, vol=1.640000e+08
assign (segid " " and resid 26 and name HN) (segid " " and resid 15 and name HN) 3.086 1.190 1.190 weight 1.000 ! spec=SH3CFn15noe, no=361, id=1299, vol=4.030000e+08
assign (segid " " and resid 26 and name HN) (segid " " and resid 14 and name HA) 3.451 1.489 1.489 weight 1.000 ! spec=SH3CFn15noe, no=362, id=1300, vol=2.060000e+08
assign (segid " " and resid 28 and name HN) (segid " " and resid 27 and name HN) 3.254 1.324 1.324 weight 1.000 ! spec=SH3CFn15noe, no=363, id=1301, vol=2.930000e+08
assign (segid " " and resid 27 and name HN) (segid " " and resid 26 and name HN) 3.454 1.491 1.491 weight 1.000 ! spec=SH3CFn15noe, no=364, id=1302, vol=2.050000e+08
assign (segid " " and resid 27 and name HN) (segid " " and resid 26 and name HA) 1.916 0.459 0.459 weight 1.000 ! spec=SH3CFn15noe, no=365, id=1303, vol=7.040000e+09
assign (segid " " and resid 27 and name HN) (segid " " and resid 14 and name HB1) 3.287 1.350 1.350 weight 1.000 ! spec=SH3CFn15noe, no=367, id=1305, vol=2.760000e+08
assign (segid " " and resid 27 and name HN) (segid " " and resid 27 and name HA) 2.735 0.935 0.935 weight 1.000 ! spec=SH3CFn15noe, no=368, id=1306, vol=8.310000e+08
assign (segid " " and resid 27 and name HN) (segid " " and resid 26 and name HD2) 4.102 2.104 2.104 weight 1.000 ! spec=SH3CFn15noe, no=369, id=1307, vol=7.300000e+07
assign (segid " " and resid 27 and name HN) (segid " " and resid 27 and name HB1) 2.683 0.900 0.900 weight 1.000 ! spec=SH3CFn15noe, no=370, id=1308, vol=9.330000e+08
assign (segid " " and resid 27 and name HN) (segid " " and resid 27 and name HB2) 2.779 0.966 0.966 weight 1.000 ! spec=SH3CFn15noe, no=371, id=1309, vol=7.550000e+08
assign (segid " " and resid 27 and name HN) (segid " " and resid 11 and name HB2) 3.923 1.924 1.924 weight 1.000 ! spec=SH3CFn15noe, no=372, id=1310, vol=9.540000e+07
assign (segid " " and resid 27 and name HN) (segid " " and resid 26 and name HB2) 2.970 1.103 1.103 weight 1.000 ! spec=SH3CFn15noe, no=373, id=1311, vol=5.070000e+08
assign (segid " " and resid 27 and name HN) (segid " " and resid 26 and name HB1) 2.790 0.973 0.973 weight 1.000 ! spec=SH3CFn15noe, no=374, id=1312, vol=7.370000e+08
assign (segid " " and resid 15 and name HN) (segid " " and resid 27 and name HN) 3.746 1.754 1.754 weight 1.000 ! spec=SH3CFn15noe, no=375, id=1313, vol=1.260000e+08
assign (segid " " and resid 28 and name HN) (segid " " and resid 11 and name HA) 3.712 1.722 1.722 weight 1.000 ! spec=SH3CFn15noe, no=376, id=1314, vol=1.330000e+08
assign (segid " " and resid 53 and name HN) (segid " " and resid 45 and name HA) 3.190 1.272 1.272 weight 1.000 ! spec=SH3CFn15noe, no=378, id=1316, vol=3.300000e+08
assign (segid " " and resid 53 and name HN) (segid " " and resid 44 and name HA1) 3.689 1.701 1.701 weight 1.000 ! spec=SH3CFn15noe, no=380, id=1317, vol=1.380000e+08
assign (segid " " and resid 53 and name HN) (segid " " and resid 46 and name HB1) 5.582 3.895 3.895 weight 1.000 ! spec=SH3CFn15noe, no=381, id=1318, vol=1.150000e+07
assign (segid " " and resid 53 and name HN) (segid " " and resid 23 and name HG) 3.184 1.267 1.267 weight 1.000 ! spec=SH3CFn15noe, no=383, id=1320, vol=3.340000e+08
assign (segid " " and resid 53 and name HN) (segid " " and resid 23 and name HD22) 3.707 1.718 1.718 weight 1.000 ! spec=SH3CFn15noe, no=384, id=1321, vol=1.340000e+08
assign (segid " " and resid 29 and name HN) (segid " " and resid 29 and name HB2) 2.622 0.860 0.860 weight 1.000 ! spec=SH3CFn15noe, no=385, id=1322, vol=1.070000e+09
assign (segid " " and resid 29 and name HN) (segid " " and resid 29 and name HB1) 2.829 1.000 1.000 weight 1.000 ! spec=SH3CFn15noe, no=386, id=1323, vol=6.790000e+08
assign (segid " " and resid 29 and name HN) (segid " " and resid 28 and name HA1) 2.899 1.051 1.051 weight 1.000 ! spec=SH3CFn15noe, no=387, id=1324, vol=5.860000e+08
assign (segid " " and resid 29 and name HN) (segid " " and resid 29 and name HA) 2.626 0.862 0.862 weight 1.000 ! spec=SH3CFn15noe, no=388, id=1325, vol=1.060000e+09
assign (segid " " and resid 30 and name HN) (segid " " and resid 30 and name HG12) 3.076 1.183 1.183 weight 1.000 ! spec=SH3CFn15noe, no=391, id=1328, vol=4.110000e+08
assign (segid " " and resid 30 and name HN) (segid " " and resid 30 and name HG22) 3.976 1.976 1.976 weight 1.000 ! spec=SH3CFn15noe, no=392, id=1329, vol=8.810000e+07
assign (segid " " and resid 30 and name HN) (segid " " and resid 31 and name HG22) 4.246 2.253 2.253 weight 1.000 ! spec=SH3CFn15noe, no=393, id=1330, vol=5.940000e+07
assign (segid " " and resid 47 and name HN) (segid " " and resid 30 and name HN) 2.928 1.072 1.072 weight 1.000 ! spec=SH3CFn15noe, no=394, id=1331, vol=5.520000e+08
assign (segid " " and resid 30 and name HN) (segid " " and resid 47 and name HA) 3.849 1.852 1.852 weight 1.000 ! spec=SH3CFn15noe, no=395, id=1332, vol=1.070000e+08
assign (segid " " and resid 32 and name HN) (segid " " and resid 30 and name HG22) 3.698 1.710 1.710 weight 1.000 ! spec=SH3CFn15noe, no=396, id=1333, vol=1.360000e+08
assign (segid " " and resid 32 and name HN) (segid " " and resid 45 and name HG21) 4.493 2.523 2.523 weight 1.000 ! spec=SH3CFn15noe, no=397, id=1334, vol=4.230000e+07
assign (segid " " and resid 32 and name HN) (segid " " and resid 31 and name HA) 2.409 0.725 0.725 weight 1.000 ! spec=SH3CFn15noe, no=399, id=1335, vol=1.780000e+09
assign (segid " " and resid 32 and name HN) (segid " " and resid 45 and name HB) 3.189 1.271 1.271 weight 1.000 ! spec=SH3CFn15noe, no=400, id=1336, vol=3.310000e+08
assign (segid " " and resid 32 and name HN) (segid " " and resid 44 and name HA1) 3.981 1.981 1.981 weight 1.000 ! spec=SH3CFn15noe, no=401, id=1337, vol=8.740000e+07
assign (segid " " and resid 32 and name HN) (segid " " and resid 32 and name HA) 3.056 1.168 1.168 weight 1.000 ! spec=SH3CFn15noe, no=402, id=1338, vol=4.270000e+08
assign (segid " " and resid 30 and name HN) (segid " " and resid 29 and name HB2) 4.590 2.634 2.634 weight 1.000 ! spec=SH3CFn15noe, no=403, id=1339, vol=3.720000e+07
assign (segid " " and resid 33 and name HN) (segid " " and resid 32 and name HN) 3.435 1.474 1.474 weight 1.000 ! spec=SH3CFn15noe, no=405, id=1340, vol=2.120000e+08
assign (segid " " and resid 33 and name HN) (segid " " and resid 7 and name HB2) 4.242 2.250 2.250 weight 1.000 ! spec=SH3CFn15noe, no=406, id=1341, vol=5.970000e+07
assign (segid " " and resid 33 and name HN) (segid " " and resid 33 and name HG12) 2.858 1.021 1.021 weight 1.000 ! spec=SH3CFn15noe, no=407, id=1342, vol=6.390000e+08
assign (segid " " and resid 33 and name HN) (segid " " and resid 33 and name HG22) 3.232 1.306 1.306 weight 1.000 ! spec=SH3CFn15noe, no=408, id=1343, vol=3.050000e+08
assign (segid " " and resid 34 and name HN) (segid " " and resid 34 and name HA) 2.400 0.720 0.720 weight 1.000 ! spec=SH3CFn15noe, no=410, id=1345, vol=1.820000e+09
assign (segid " " and resid 34 and name HN) (segid " " and resid 44 and name HA1) 2.698 0.910 0.910 weight 1.000 ! spec=SH3CFn15noe, no=411, id=1346, vol=9.030000e+08
assign (segid " " and resid 34 and name HN) (segid " " and resid 33 and name HA) 2.507 0.786 0.786 weight 1.000 ! spec=SH3CFn15noe, no=412, id=1347, vol=1.400000e+09
assign (segid " " and resid 34 and name HN) (segid " " and resid 34 and name HG2) 2.869 1.029 1.029 weight 1.000 ! spec=SH3CFn15noe, no=413, id=1348, vol=6.240000e+08
assign (segid " " and resid 34 and name HN) (segid " " and resid 34 and name HB2) 2.452 0.752 0.752 weight 1.000 ! spec=SH3CFn15noe, no=414, id=1349, vol=1.600000e+09
assign (segid " " and resid 34 and name HN) (segid " " and resid 33 and name HG22) 2.347 0.689 0.689 weight 1.000 ! spec=SH3CFn15noe, no=415, id=1350, vol=2.080000e+09
assign (segid " " and resid 34 and name HN) (segid " " and resid 33 and name HG12) 3.751 1.758 1.758 weight 1.000 ! spec=SH3CFn15noe, no=416, id=1351, vol=1.250000e+08
assign (segid " " and resid 35 and name HN) (segid " " and resid 33 and name HG22) 2.679 0.897 0.897 weight 1.000 ! spec=SH3CFn15noe, no=417, id=1352, vol=9.410000e+08
assign (segid " " and resid 43 and name HG12) (segid " " and resid 35 and name HN) 3.265 1.333 1.333 weight 1.000 ! spec=SH3CFn15noe, no=418, id=1353, vol=2.870000e+08
assign (segid " " and resid 35 and name HN) (segid " " and resid 35 and name HB2) 2.520 0.794 0.794 weight 1.000 ! spec=SH3CFn15noe, no=420, id=1354, vol=1.360000e+09
assign (segid " " and resid 35 and name HN) (segid " " and resid 34 and name HB2) 3.079 1.185 1.185 weight 1.000 ! spec=SH3CFn15noe, no=421, id=1355, vol=4.080000e+08
assign (segid " " and resid 35 and name HN) (segid " " and resid 33 and name HA) 2.975 1.106 1.106 weight 1.000 ! spec=SH3CFn15noe, no=423, id=1357, vol=5.020000e+08
assign (segid " " and resid 35 and name HN) (segid " " and resid 35 and name HA) 2.344 0.687 0.687 weight 1.000 ! spec=SH3CFn15noe, no=424, id=1358, vol=2.100000e+09
assign (segid " " and resid 35 and name HN) (segid " " and resid 34 and name HA) 2.971 1.103 1.103 weight 1.000 ! spec=SH3CFn15noe, no=425, id=1359, vol=5.060000e+08
assign (segid " " and resid 34 and name HN) (segid " " and resid 35 and name HN) 2.667 0.889 0.889 weight 1.000 ! spec=SH3CFn15noe, no=426, id=1360, vol=9.660000e+08
assign (segid " " and resid 43 and name HN) (segid " " and resid 35 and name HN) 2.504 0.784 0.784 weight 1.000 ! spec=SH3CFn15noe, no=427, id=1361, vol=1.410000e+09
assign (segid " " and resid 35 and name HN) (segid " " and resid 34 and name HE2) 5.049 3.187 3.187 weight 1.000 ! spec=SH3CFn15noe, no=428, id=1362, vol=2.100000e+07
assign (segid " " and resid 36 and name HN) (segid " " and resid 36 and name HG1) 3.205 1.284 1.284 weight 1.000 ! spec=SH3CFn15noe, no=429, id=1363, vol=3.210000e+08
assign (segid " " and resid 36 and name HN) (segid " " and resid 33 and name HG22) 3.751 1.758 1.758 weight 1.000 ! spec=SH3CFn15noe, no=430, id=1364, vol=1.250000e+08
assign (segid " " and resid 36 and name HN) (segid " " and resid 36 and name HG2) 3.090 1.193 1.193 weight 1.000 ! spec=SH3CFn15noe, no=431, id=1365, vol=4.000000e+08
assign (segid " " and resid 36 and name HN) (segid " " and resid 36 and name HD2) 3.893 1.894 1.894 weight 1.000 ! spec=SH3CFn15noe, no=432, id=1366, vol=1.000000e+08
assign (segid " " and resid 36 and name HN) (segid " " and resid 36 and name HB2) 2.815 0.990 0.990 weight 1.000 ! spec=SH3CFn15noe, no=433, id=1367, vol=7.000000e+08
assign (segid " " and resid 36 and name HN) (segid " " and resid 35 and name HG2) 2.820 0.994 0.994 weight 1.000 ! spec=SH3CFn15noe, no=435, id=1369, vol=6.920000e+08
assign (segid " " and resid 36 and name HN) (segid " " and resid 35 and name HA) 2.287 0.654 0.654 weight 1.000 ! spec=SH3CFn15noe, no=436, id=1370, vol=2.430000e+09
assign (segid " " and resid 36 and name HN) (segid " " and resid 35 and name HN) 3.761 1.768 1.768 weight 1.000 ! spec=SH3CFn15noe, no=437, id=1371, vol=1.230000e+08
assign (segid " " and resid 37 and name HN) (segid " " and resid 36 and name HA) 2.602 0.847 0.847 weight 1.000 ! spec=SH3CFn15noe, no=438, id=1372, vol=1.120000e+09
assign (segid " " and resid 37 and name HN) (segid " " and resid 37 and name HA) 2.580 0.832 0.832 weight 1.000 ! spec=SH3CFn15noe, no=439, id=1373, vol=1.180000e+09
assign (segid " " and resid 37 and name HN) (segid " " and resid 42 and name HA) 3.077 1.183 1.183 weight 1.000 ! spec=SH3CFn15noe, no=440, id=1374, vol=4.100000e+08
assign (segid " " and resid 37 and name HN) (segid " " and resid 42 and name HD1) 2.893 1.046 1.046 weight 1.000 ! spec=SH3CFn15noe, no=441, id=1375, vol=5.940000e+08
assign (segid " " and resid 37 and name HB1) (segid " " and resid 37 and name HN) 3.173 1.258 1.258 weight 1.000 ! spec=SH3CFn15noe, no=442, id=1376, vol=3.410000e+08
assign (segid " " and resid 37 and name HB2) (segid " " and resid 37 and name HN) 2.937 1.078 1.078 weight 1.000 ! spec=SH3CFn15noe, no=443, id=1377, vol=5.420000e+08
assign (segid " " and resid 37 and name HN) (segid " " and resid 41 and name HB1) 4.707 2.769 2.769 weight 1.000 ! spec=SH3CFn15noe, no=444, id=1378, vol=3.200000e+07
assign (segid " " and resid 37 and name HN) (segid " " and resid 35 and name HG2) 3.262 1.330 1.330 weight 1.000 ! spec=SH3CFn15noe, no=445, id=1379, vol=2.890000e+08
assign (segid " " and resid 37 and name HN) (segid " " and resid 36 and name HB2) 3.085 1.189 1.189 weight 1.000 ! spec=SH3CFn15noe, no=446, id=1380, vol=4.040000e+08
assign (segid " " and resid 37 and name HN) (segid " " and resid 36 and name HG2) 3.592 1.613 1.613 weight 1.000 ! spec=SH3CFn15noe, no=447, id=1381, vol=1.620000e+08
assign (segid " " and resid 37 and name HN) (segid " " and resid 36 and name HG1) 4.203 2.208 2.208 weight 1.000 ! spec=SH3CFn15noe, no=448, id=1382, vol=6.310000e+07
assign (segid " " and resid 42 and name HN) (segid " " and resid 56 and name HB1) 6.826 5.824 5.824 weight 1.000 ! spec=SH3CFn15noe, no=449, id=1383, vol=3.440000e+06
assign (segid " " and resid 39 and name HN) (segid " " and resid 39 and name HB2) 3.071 1.179 1.179 weight 1.000 ! spec=SH3CFn15noe, no=450, id=1384, vol=4.150000e+08
assign (segid " " and resid 39 and name HN) (segid " " and resid 37 and name HB1) 3.231 1.305 1.305 weight 1.000 ! spec=SH3CFn15noe, no=451, id=1385, vol=3.060000e+08
assign (segid " " and resid 39 and name HN) (segid " " and resid 38 and name HB2) 3.176 1.261 1.261 weight 1.000 ! spec=SH3CFn15noe, no=452, id=1386, vol=3.390000e+08
assign (segid " " and resid 43 and name HN) (segid " " and resid 33 and name HG22) 2.021 0.511 0.511 weight 1.000 ! spec=SH3CFn15noe, no=453, id=1387, vol=5.100000e+09
assign (segid " " and resid 43 and name HN) (segid " " and resid 43 and name HG22) 3.059 1.169 1.169 weight 1.000 ! spec=SH3CFn15noe, no=454, id=1388, vol=4.250000e+08
assign (segid " " and resid 53 and name HN) (segid " " and resid 44 and name HN) 2.898 1.049 1.049 weight 1.000 ! spec=SH3CFn15noe, no=456, id=1390, vol=5.880000e+08
assign (segid " " and resid 44 and name HN) (segid " " and resid 52 and name HD2) 3.659 1.674 1.674 weight 1.000 ! spec=SH3CFn15noe, no=457, id=1391, vol=1.450000e+08
assign (segid " " and resid 44 and name HN) (segid " " and resid 45 and name HG1) 4.072 2.073 2.073 weight 1.000 ! spec=SH3CFn15noe, no=459, id=1393, vol=7.630000e+07
assign (segid " " and resid 44 and name HN) (segid " " and resid 43 and name HA) 2.400 0.720 0.720 weight 1.000 ! spec=SH3CFn15noe, no=460, id=1394, vol=1.820000e+09
assign (segid " " and resid 44 and name HN) (segid " " and resid 44 and name HA1) 2.911 1.059 1.059 weight 1.000 ! spec=SH3CFn15noe, no=461, id=1395, vol=5.720000e+08
assign (segid " " and resid 44 and name HN) (segid " " and resid 43 and name HB) 3.437 1.477 1.477 weight 1.000 ! spec=SH3CFn15noe, no=462, id=1396, vol=2.110000e+08
assign (segid " " and resid 44 and name HN) (segid " " and resid 43 and name HG12) 2.610 0.852 0.852 weight 1.000 ! spec=SH3CFn15noe, no=463, id=1397, vol=1.100000e+09
assign (segid " " and resid 44 and name HN) (segid " " and resid 33 and name HG22) 3.378 1.427 1.427 weight 1.000 ! spec=SH3CFn15noe, no=464, id=1398, vol=2.340000e+08
assign (segid " " and resid 54 and name HN) (segid " " and resid 55 and name HB1) 3.886 1.888 1.888 weight 1.000 ! spec=SH3CFn15noe, no=465, id=1399, vol=1.010000e+08
assign (segid " " and resid 45 and name HN) (segid " " and resid 31 and name HG12) 1.905 0.453 0.453 weight 1.000 ! spec=SH3CFn15noe, no=466, id=1400, vol=7.290000e+09
assign (segid " " and resid 54 and name HN) (segid " " and resid 43 and name HG12) 15.265 15.265 29.128 weight 1.000 ! spec=SH3CFn15noe, no=468, id=1402, vol=2.750000e+04
assign (segid " " and resid 46 and name HN) (segid " " and resid 51 and name HN) 2.194 0.602 0.602 weight 1.000 ! spec=SH3CFn15noe, no=469, id=1403, vol=3.120000e+09
assign (segid " " and resid 46 and name HN) (segid " " and resid 50 and name HN) 2.935 1.077 1.077 weight 1.000 ! spec=SH3CFn15noe, no=470, id=1404, vol=5.440000e+08
assign (segid " " and resid 46 and name HN) (segid " " and resid 46 and name HB2) 2.717 0.923 0.923 weight 1.000 ! spec=SH3CFn15noe, no=471, id=1405, vol=8.650000e+08
assign (segid " " and resid 46 and name HN) (segid " " and resid 46 and name HB1) 3.013 1.135 1.135 weight 1.000 ! spec=SH3CFn15noe, no=472, id=1406, vol=4.650000e+08
assign (segid " " and resid 46 and name HN) (segid " " and resid 45 and name HG21) 2.770 0.959 0.959 weight 1.000 ! spec=SH3CFn15noe, no=473, id=1407, vol=7.700000e+08
assign (segid " " and resid 23 and name HG) (segid " " and resid 46 and name HN) 2.555 0.816 0.816 weight 1.000 ! spec=SH3CFn15noe, no=474, id=1408, vol=1.250000e+09
assign (segid " " and resid 46 and name HN) (segid " " and resid 23 and name HD22) 2.049 0.525 0.525 weight 1.000 ! spec=SH3CFn15noe, no=475, id=1409, vol=4.700000e+09
assign (segid " " and resid 47 and name HN) (segid " " and resid 30 and name HG22) 3.560 1.584 1.584 weight 1.000 ! spec=SH3CFn15noe, no=477, id=1411, vol=1.710000e+08
assign (segid " " and resid 31 and name HG22) (segid " " and resid 47 and name HN) 2.951 1.088 1.088 weight 1.000 ! spec=SH3CFn15noe, no=478, id=1412, vol=5.270000e+08
assign (segid " " and resid 47 and name HN) (segid " " and resid 47 and name HG2) 3.215 1.292 1.292 weight 1.000 ! spec=SH3CFn15noe, no=480, id=1414, vol=3.150000e+08
assign (segid " " and resid 48 and name HN) (segid " " and resid 48 and name HA) 2.716 0.922 0.922 weight 1.000 ! spec=SH3CFn15noe, no=481, id=1415, vol=8.670000e+08
assign (segid " " and resid 48 and name HN) (segid " " and resid 46 and name HB1) 3.313 1.372 1.372 weight 1.000 ! spec=SH3CFn15noe, no=482, id=1416, vol=2.630000e+08
assign (segid " " and resid 48 and name HN) (segid " " and resid 46 and name HA) 3.297 1.359 1.359 weight 1.000 ! spec=SH3CFn15noe, no=483, id=1417, vol=2.710000e+08
assign (segid " " and resid 48 and name HN) (segid " " and resid 48 and name HD1) 3.680 1.693 1.693 weight 1.000 ! spec=SH3CFn15noe, no=484, id=1418, vol=1.400000e+08
assign (segid " " and resid 48 and name HN) (segid " " and resid 49 and name HG21) 3.303 1.364 1.364 weight 1.000 ! spec=SH3CFn15noe, no=485, id=1419, vol=2.680000e+08
assign (segid " " and resid 48 and name HN) (segid " " and resid 48 and name HG2) 3.212 1.289 1.289 weight 1.000 ! spec=SH3CFn15noe, no=486, id=1420, vol=3.170000e+08
assign (segid " " and resid 48 and name HN) (segid " " and resid 48 and name HB1) 2.689 0.904 0.904 weight 1.000 ! spec=SH3CFn15noe, no=487, id=1421, vol=9.210000e+08
assign (segid " " and resid 48 and name HN) (segid " " and resid 48 and name HB2) 2.970 1.103 1.103 weight 1.000 ! spec=SH3CFn15noe, no=488, id=1422, vol=5.070000e+08
assign (segid " " and resid 48 and name HN) (segid " " and resid 47 and name HB2) 2.882 1.038 1.038 weight 1.000 ! spec=SH3CFn15noe, no=489, id=1423, vol=6.070000e+08
assign (segid " " and resid 48 and name HN) (segid " " and resid 48 and name HG1) 3.378 1.427 1.427 weight 1.000 ! spec=SH3CFn15noe, no=490, id=1424, vol=2.340000e+08
assign (segid " " and resid 48 and name HN) (segid " " and resid 49 and name HN) 2.784 0.969 0.969 weight 1.000 ! spec=SH3CFn15noe, no=492, id=1426, vol=7.470000e+08
assign (segid " " and resid 47 and name HN) (segid " " and resid 48 and name HN) 2.777 0.964 0.964 weight 1.000 ! spec=SH3CFn15noe, no=495, id=1429, vol=7.590000e+08
assign (segid " " and resid 49 and name HN) (segid " " and resid 49 and name HG21) 2.626 0.862 0.862 weight 1.000 ! spec=SH3CFn15noe, no=496, id=1430, vol=1.060000e+09
assign (segid " " and resid 49 and name HN) (segid " " and resid 50 and name HG2) 3.348 1.401 1.401 weight 1.000 ! spec=SH3CFn15noe, no=497, id=1431, vol=2.470000e+08
assign (segid " " and resid 49 and name HN) (segid " " and resid 46 and name HB1) 3.432 1.472 1.472 weight 1.000 ! spec=SH3CFn15noe, no=501, id=1434, vol=2.130000e+08
assign (segid " " and resid 49 and name HN) (segid " " and resid 46 and name HB2) 3.010 1.132 1.132 weight 1.000 ! spec=SH3CFn15noe, no=502, id=1435, vol=4.680000e+08
assign (segid " " and resid 49 and name HN) (segid " " and resid 48 and name HA) 2.892 1.045 1.045 weight 1.000 ! spec=SH3CFn15noe, no=503, id=1436, vol=5.950000e+08
assign (segid " " and resid 49 and name HN) (segid " " and resid 49 and name HA) 3.355 1.407 1.407 weight 1.000 ! spec=SH3CFn15noe, no=504, id=1437, vol=2.440000e+08
assign (segid " " and resid 49 and name HN) (segid " " and resid 49 and name HB) 3.227 1.302 1.302 weight 1.000 ! spec=SH3CFn15noe, no=505, id=1438, vol=3.080000e+08
assign (segid " " and resid 49 and name HN) (segid " " and resid 49 and name HG1) 3.159 1.248 1.248 weight 1.000 ! spec=SH3CFn15noe, no=506, id=1439, vol=3.500000e+08
assign (segid " " and resid 49 and name HN) (segid " " and resid 50 and name HN) 2.584 0.834 0.834 weight 1.000 ! spec=SH3CFn15noe, no=508, id=1441, vol=1.170000e+09
assign (segid " " and resid 47 and name HN) (segid " " and resid 49 and name HN) 3.465 1.501 1.501 weight 1.000 ! spec=SH3CFn15noe, no=510, id=1443, vol=2.010000e+08
assign (segid " " and resid 48 and name HN) (segid " " and resid 50 and name HN) 3.371 1.421 1.421 weight 1.000 ! spec=SH3CFn15noe, no=512, id=1445, vol=2.370000e+08
assign (segid " " and resid 50 and name HN) (segid " " and resid 47 and name HN) 4.233 2.240 2.240 weight 1.000 ! spec=SH3CFn15noe, no=515, id=1448, vol=6.050000e+07
assign (segid " " and resid 50 and name HN) (segid " " and resid 49 and name HG1) 3.787 1.792 1.792 weight 1.000 ! spec=SH3CFn15noe, no=516, id=1449, vol=1.180000e+08
assign (segid " " and resid 50 and name HN) (segid " " and resid 46 and name HB1) 3.273 1.339 1.339 weight 1.000 ! spec=SH3CFn15noe, no=517, id=1450, vol=2.830000e+08
assign (segid " " and resid 50 and name HN) (segid " " and resid 50 and name HA) 2.302 0.662 0.662 weight 1.000 ! spec=SH3CFn15noe, no=518, id=1451, vol=2.340000e+09
assign (segid " " and resid 50 and name HN) (segid " " and resid 49 and name HA) 2.787 0.971 0.971 weight 1.000 ! spec=SH3CFn15noe, no=519, id=1452, vol=7.420000e+08
assign (segid " " and resid 50 and name HN) (segid " " and resid 49 and name HB) 6.280 4.930 4.930 weight 1.000 ! spec=SH3CFn15noe, no=520, id=1453, vol=5.670000e+06
assign (segid " " and resid 50 and name HN) (segid " " and resid 50 and name HB1) 3.200 1.280 1.280 weight 1.000 ! spec=SH3CFn15noe, no=521, id=1454, vol=3.240000e+08
assign (segid " " and resid 50 and name HN) (segid " " and resid 50 and name HB2) 3.165 1.252 1.252 weight 1.000 ! spec=SH3CFn15noe, no=522, id=1455, vol=3.460000e+08
assign (segid " " and resid 50 and name HN) (segid " " and resid 51 and name HG1) 4.084 2.085 2.085 weight 1.000 ! spec=SH3CFn15noe, no=523, id=1456, vol=7.500000e+07
assign (segid " " and resid 50 and name HN) (segid " " and resid 51 and name HB1) 4.690 2.749 2.749 weight 1.000 ! spec=SH3CFn15noe, no=524, id=1457, vol=3.270000e+07
assign (segid " " and resid 50 and name HN) (segid " " and resid 50 and name HD2) 2.867 1.027 1.027 weight 1.000 ! spec=SH3CFn15noe, no=525, id=1458, vol=6.270000e+08
assign (segid " " and resid 50 and name HN) (segid " " and resid 50 and name HG1) 3.556 1.581 1.581 weight 1.000 ! spec=SH3CFn15noe, no=526, id=1459, vol=1.720000e+08
assign (segid " " and resid 45 and name HG21) (segid " " and resid 50 and name HN) 2.798 0.979 0.979 weight 1.000 ! spec=SH3CFn15noe, no=527, id=1460, vol=7.250000e+08
or (segid " " and resid 50 and name HN) (segid " " and resid 45 and name HG22)
or (segid " " and resid 50 and name HN) (segid " " and resid 45 and name HG23)
assign (segid " " and resid 50 and name HN) (segid " " and resid 50 and name HG2) 5.025 3.157 3.157 weight 1.000 ! spec=SH3CFn15noe, no=528, id=1461, vol=2.160000e+07
assign (segid " " and resid 51 and name HN) (segid " " and resid 51 and name HG1) 3.287 1.350 1.350 weight 1.000 ! spec=SH3CFn15noe, no=529, id=1462, vol=2.760000e+08
assign (segid " " and resid 51 and name HN) (segid " " and resid 51 and name HG2) 2.881 1.037 1.037 weight 1.000 ! spec=SH3CFn15noe, no=530, id=1463, vol=6.090000e+08
assign (segid " " and resid 51 and name HN) (segid " " and resid 51 and name HA) 2.539 0.806 0.806 weight 1.000 ! spec=SH3CFn15noe, no=531, id=1464, vol=1.300000e+09
assign (segid " " and resid 51 and name HN) (segid " " and resid 49 and name HG1) 2.935 1.077 1.077 weight 1.000 ! spec=SH3CFn15noe, no=532, id=1465, vol=5.440000e+08
assign (segid " " and resid 50 and name HN) (segid " " and resid 51 and name HN) 2.717 0.923 0.923 weight 1.000 ! spec=SH3CFn15noe, no=533, id=1466, vol=8.640000e+08
assign (segid " " and resid 51 and name HN) (segid " " and resid 23 and name HD22) 2.934 1.076 1.076 weight 1.000 ! spec=SH3CFn15noe, no=535, id=1468, vol=5.460000e+08
assign (segid " " and resid 52 and name HN) (segid " " and resid 51 and name HB1) 3.118 1.215 1.215 weight 1.000 ! spec=SH3CFn15noe, no=536, id=1469, vol=3.790000e+08
assign (segid " " and resid 52 and name HN) (segid " " and resid 51 and name HB2) 2.732 0.933 0.933 weight 1.000 ! spec=SH3CFn15noe, no=537, id=1470, vol=8.370000e+08
assign (segid " " and resid 52 and name HN) (segid " " and resid 51 and name HG2) 3.855 1.858 1.858 weight 1.000 ! spec=SH3CFn15noe, no=538, id=1471, vol=1.060000e+08
assign (segid " " and resid 52 and name HN) (segid " " and resid 51 and name HG1) 3.309 1.369 1.369 weight 1.000 ! spec=SH3CFn15noe, no=539, id=1472, vol=2.650000e+08
assign (segid " " and resid 52 and name HN) (segid " " and resid 52 and name HB2) 2.790 0.973 0.973 weight 1.000 ! spec=SH3CFn15noe, no=540, id=1473, vol=7.370000e+08
assign (segid " " and resid 52 and name HN) (segid " " and resid 52 and name HB1) 2.639 0.871 0.871 weight 1.000 ! spec=SH3CFn15noe, no=541, id=1474, vol=1.030000e+09
assign (segid " " and resid 52 and name HN) (segid " " and resid 51 and name HA) 2.355 0.693 0.693 weight 1.000 ! spec=SH3CFn15noe, no=542, id=1475, vol=2.040000e+09
assign (segid " " and resid 52 and name HN) (segid " " and resid 52 and name HA) 3.060 1.170 1.170 weight 1.000 ! spec=SH3CFn15noe, no=543, id=1476, vol=4.240000e+08
assign (segid " " and resid 52 and name HN) (segid " " and resid 52 and name HD2) 3.574 1.597 1.597 weight 1.000 ! spec=SH3CFn15noe, no=544, id=1477, vol=1.670000e+08
assign (segid " " and resid 52 and name HN) (segid " " and resid 51 and name HN) 3.219 1.295 1.295 weight 1.000 ! spec=SH3CFn15noe, no=545, id=1478, vol=3.130000e+08
assign (segid " " and resid 53 and name HN) (segid " " and resid 53 and name HA1) 2.573 0.827 0.827 weight 1.000 ! spec=SH3CFn15noe, no=546, id=1479, vol=1.200000e+09
assign (segid " " and resid 55 and name HN) (segid " " and resid 55 and name HA) 2.879 1.036 1.036 weight 1.000 ! spec=SH3CFn15noe, no=548, id=1481, vol=6.110000e+08
assign (segid " " and resid 55 and name HN) (segid " " and resid 54 and name HB) 3.269 1.336 1.336 weight 1.000 ! spec=SH3CFn15noe, no=549, id=1482, vol=2.850000e+08
assign (segid " " and resid 55 and name HN) (segid " " and resid 55 and name HB2) 3.731 1.740 1.740 weight 1.000 ! spec=SH3CFn15noe, no=550, id=1483, vol=1.290000e+08
assign (segid " " and resid 55 and name HN) (segid " " and resid 55 and name HB1) 4.298 2.309 2.309 weight 1.000 ! spec=SH3CFn15noe, no=551, id=1484, vol=5.520000e+07
assign (segid " " and resid 55 and name HN) (segid " " and resid 42 and name HB1) 3.501 1.532 1.532 weight 1.000 ! spec=SH3CFn15noe, no=552, id=1485, vol=1.890000e+08
assign (segid " " and resid 55 and name HN) (segid " " and resid 56 and name HD2) 4.075 2.076 2.076 weight 1.000 ! spec=SH3CFn15noe, no=553, id=1486, vol=7.600000e+07
assign (segid " " and resid 55 and name HN) (segid " " and resid 54 and name HG21) 3.108 1.208 1.208 weight 1.000 ! spec=SH3CFn15noe, no=554, id=1487, vol=3.860000e+08
assign (segid " " and resid 42 and name HN) (segid " " and resid 57 and name HN) 3.703 1.714 1.714 weight 1.000 ! spec=SH3CFn15noe, no=556, id=1488, vol=1.350000e+08
assign (segid " " and resid 58 and name HN) (segid " " and resid 58 and name HA) 2.635 0.868 0.868 weight 1.000 ! spec=SH3CFn15noe, no=560, id=1492, vol=1.040000e+09
assign (segid " " and resid 58 and name HN) (segid " " and resid 58 and name HB1) 2.457 0.755 0.755 weight 1.000 ! spec=SH3CFn15noe, no=561, id=1493, vol=1.580000e+09
assign (segid " " and resid 58 and name HN) (segid " " and resid 59 and name HN) 2.838 1.007 1.007 weight 1.000 ! spec=SH3CFn15noe, no=562, id=1494, vol=6.660000e+08
assign (segid " " and resid 59 and name HN) (segid " " and resid 60 and name HN) 2.658 0.883 0.883 weight 1.000 ! spec=SH3CFn15noe, no=563, id=1495, vol=9.870000e+08
assign (segid " " and resid 59 and name HN) (segid " " and resid 59 and name HD1) 2.747 0.943 0.943 weight 1.000 ! spec=SH3CFn15noe, no=564, id=1496, vol=8.100000e+08
assign (segid " " and resid 59 and name HN) (segid " " and resid 59 and name HE1) 3.526 1.554 1.554 weight 1.000 ! spec=SH3CFn15noe, no=565, id=1497, vol=1.810000e+08
assign (segid " " and resid 59 and name HN) (segid " " and resid 59 and name HA) 2.338 0.683 0.683 weight 1.000 ! spec=SH3CFn15noe, no=566, id=1498, vol=2.130000e+09
assign (segid " " and resid 59 and name HN) (segid " " and resid 58 and name HA) 6.960 6.056 6.056 weight 1.000 ! spec=SH3CFn15noe, no=567, id=1499, vol=3.060000e+06
assign (segid " " and resid 59 and name HN) (segid " " and resid 59 and name HB2) 2.822 0.995 0.995 weight 1.000 ! spec=SH3CFn15noe, no=568, id=1500, vol=6.890000e+08
assign (segid " " and resid 59 and name HN) (segid " " and resid 59 and name HB1) 2.681 0.899 0.899 weight 1.000 ! spec=SH3CFn15noe, no=569, id=1501, vol=9.360000e+08
assign (segid " " and resid 59 and name HN) (segid " " and resid 60 and name HG22) 3.451 1.489 1.489 weight 1.000 ! spec=SH3CFn15noe, no=570, id=1502, vol=2.060000e+08
assign (segid " " and resid 59 and name HN) (segid " " and resid 60 and name HG12) 3.849 1.852 1.852 weight 1.000 ! spec=SH3CFn15noe, no=571, id=1503, vol=1.070000e+08
assign (segid " " and resid 59 and name HN) (segid " " and resid 25 and name HD12) 4.882 2.979 2.979 weight 1.000 ! spec=SH3CFn15noe, no=572, id=1504, vol=2.570000e+07
or (segid " " and resid 59 and name HN) (segid " " and resid 25 and name HD11)
or (segid " " and resid 59 and name HN) (segid " " and resid 25 and name HD13)
assign (segid " " and resid 60 and name HN) (segid " " and resid 60 and name HA) 3.100 1.201 1.201 weight 1.000 ! spec=SH3CFn15noe, no=573, id=1505, vol=3.920000e+08
assign (segid " " and resid 60 and name HN) (segid " " and resid 59 and name HA) 2.713 0.920 0.920 weight 1.000 ! spec=SH3CFn15noe, no=574, id=1506, vol=8.730000e+08
assign (segid " " and resid 60 and name HN) (segid " " and resid 59 and name HB1) 3.042 1.157 1.157 weight 1.000 ! spec=SH3CFn15noe, no=577, id=1509, vol=4.390000e+08
assign (segid " " and resid 60 and name HN) (segid " " and resid 59 and name HB2) 3.874 1.876 1.876 weight 1.000 ! spec=SH3CFn15noe, no=578, id=1510, vol=1.030000e+08
assign (segid " " and resid 60 and name HN) (segid " " and resid 60 and name HB) 3.232 1.306 1.306 weight 1.000 ! spec=SH3CFn15noe, no=579, id=1511, vol=3.050000e+08
assign (segid " " and resid 60 and name HN) (segid " " and resid 60 and name HG22) 2.460 0.756 0.756 weight 1.000 ! spec=SH3CFn15noe, no=580, id=1512, vol=1.570000e+09
assign (segid " " and resid 60 and name HN) (segid " " and resid 60 and name HG12) 3.144 1.236 1.236 weight 1.000 ! spec=SH3CFn15noe, no=581, id=1513, vol=3.600000e+08
assign (segid " " and resid 60 and name HN) (segid " " and resid 12 and name HN) 3.939 1.939 1.939 weight 1.000 ! spec=SH3CFn15noe, no=582, id=1514, vol=9.320000e+07
assign (segid " " and resid 61 and name HN) (segid " " and resid 61 and name HB1) 2.721 0.926 0.926 weight 1.000 ! spec=SH3CFn15noe, no=583, id=1515, vol=8.570000e+08
assign (segid " " and resid 61 and name HN) (segid " " and resid 60 and name HB) 2.775 0.963 0.963 weight 1.000 ! spec=SH3CFn15noe, no=584, id=1516, vol=7.620000e+08
assign (segid " " and resid 61 and name HN) (segid " " and resid 9 and name HB1) 3.068 1.177 1.177 weight 1.000 ! spec=SH3CFn15noe, no=585, id=1517, vol=4.170000e+08
assign (segid " " and resid 61 and name HN) (segid " " and resid 11 and name HA) 3.047 1.160 1.160 weight 1.000 ! spec=SH3CFn15noe, no=586, id=1518, vol=4.350000e+08
assign (segid " " and resid 61 and name HN) (segid " " and resid 9 and name HA) 3.118 1.215 1.215 weight 1.000 ! spec=SH3CFn15noe, no=587, id=1519, vol=3.790000e+08
assign (segid " " and resid 61 and name HN) (segid " " and resid 61 and name HA) 2.919 1.065 1.065 weight 1.000 ! spec=SH3CFn15noe, no=588, id=1520, vol=5.620000e+08
assign (segid " " and resid 61 and name HN) (segid " " and resid 9 and name HD1) 3.685 1.697 1.697 weight 1.000 ! spec=SH3CFn15noe, no=590, id=1522, vol=1.390000e+08
assign (segid " " and resid 12 and name HN) (segid " " and resid 61 and name HN) 3.129 1.224 1.224 weight 1.000 ! spec=SH3CFn15noe, no=591, id=1523, vol=3.710000e+08
assign (segid " " and resid 10 and name HN) (segid " " and resid 61 and name HN) 2.990 1.117 1.117 weight 1.000 ! spec=SH3CFn15noe, no=592, id=1524, vol=4.870000e+08
assign (segid " " and resid 61 and name HN) (segid " " and resid 60 and name HG12) 2.977 1.108 1.108 weight 1.000 ! spec=SH3CFn15noe, no=593, id=1525, vol=5.000000e+08
assign (segid " " and resid 63 and name HN) (segid " " and resid 63 and name HB2) 2.789 0.972 0.972 weight 1.000 ! spec=SH3CFn15noe, no=595, id=1527, vol=7.400000e+08
assign (segid " " and resid 64 and name HN) (segid " " and resid 64 and name HD1) 2.471 0.763 0.763 weight 1.000 ! spec=SH3CFn15noe, no=596, id=1528, vol=1.530000e+09
assign (segid " " and resid 64 and name HN) (segid " " and resid 9 and name HA) 4.988 3.110 3.110 weight 1.000 ! spec=SH3CFn15noe, no=597, id=1529, vol=2.260000e+07
assign (segid " " and resid 64 and name HN) (segid " " and resid 64 and name HA) 2.876 1.034 1.034 weight 1.000 ! spec=SH3CFn15noe, no=598, id=1530, vol=6.150000e+08
assign (segid " " and resid 64 and name HN) (segid " " and resid 64 and name HB1) 3.118 1.215 1.215 weight 1.000 ! spec=SH3CFn15noe, no=600, id=1532, vol=3.790000e+08
assign (segid " " and resid 64 and name HN) (segid " " and resid 64 and name HB2) 2.753 0.947 0.947 weight 1.000 ! spec=SH3CFn15noe, no=601, id=1533, vol=8.000000e+08
assign (segid " " and resid 64 and name HN) (segid " " and resid 63 and name HB2) 2.848 1.014 1.014 weight 1.000 ! spec=SH3CFn15noe, no=602, id=1534, vol=6.520000e+08
assign (segid " " and resid 64 and name HN) (segid " " and resid 63 and name HB1) 3.348 1.401 1.401 weight 1.000 ! spec=SH3CFn15noe, no=603, id=1535, vol=2.470000e+08
assign (segid " " and resid 64 and name HN) (segid " " and resid 63 and name HD12) 3.222 1.298 1.298 weight 1.000 ! spec=SH3CFn15noe, no=604, id=1536, vol=3.110000e+08
assign (segid " " and resid 64 and name HN) (segid " " and resid 63 and name HG) 4.439 2.463 2.463 weight 1.000 ! spec=SH3CFn15noe, no=605, id=1537, vol=4.550000e+07
assign (segid " " and resid 65 and name HN) (segid " " and resid 64 and name HA) 2.595 0.842 0.842 weight 1.000 ! spec=SH3CFn15noe, no=607, id=1538, vol=1.140000e+09
assign (segid " " and resid 65 and name HN) (segid " " and resid 65 and name HA) 2.919 1.065 1.065 weight 1.000 ! spec=SH3CFn15noe, no=608, id=1539, vol=5.630000e+08
assign (segid " " and resid 65 and name HN) (segid " " and resid 64 and name HB2) 2.697 0.909 0.909 weight 1.000 ! spec=SH3CFn15noe, no=609, id=1540, vol=9.050000e+08
assign (segid " " and resid 65 and name HN) (segid " " and resid 65 and name HB2) 2.685 0.901 0.901 weight 1.000 ! spec=SH3CFn15noe, no=610, id=1541, vol=9.280000e+08
assign (segid " " and resid 19 and name HN) (segid " " and resid 19 and name HD22) 3.893 1.894 1.894 weight 1.000 ! spec=SH3CFn15noe, no=612, id=1542, vol=1.000000e+08
assign (segid " " and resid 15 and name HN) (segid " " and resid 16 and name HD12) 4.527 2.562 2.562 weight 1.000 ! spec=SH3CFn15noe, no=613, id=1543, vol=4.040000e+07
assign (segid " " and resid 25 and name HN) (segid " " and resid 24 and name HG1) 3.581 1.603 1.603 weight 1.000 ! spec=SH3CFn15noe, no=614, id=1544, vol=1.650000e+08