NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	cing	stage	position	program	type	subtype	subsubtype
	625073	6feg	cing	1-original	4	XPLOR/CNS	distance	NOE	simple

# Restraints file 4: 03_NOEs_unambig.tbl
assign (segid "   B" and resid  206 and name   HB) (segid "   A" and resid   39 and name  HD2) 2.961 1.096 1.096 weight 1.000 ! spec=13C, no=2, id=1, vol=1.070000e+05
assign (segid "   B" and resid  206 and name HG12) (segid "   A" and resid   39 and name  HD2) 2.272 0.645 0.645 weight 1.000 ! spec=13C, no=3, id=2, vol=5.250000e+05
assign (segid "   B" and resid  206 and name HG12) (segid "   A" and resid   39 and name  HG2) 1.934 0.467 0.467 weight 1.000 ! spec=13C, no=6, id=5, vol=1.380000e+06
assign (segid "   B" and resid  227 and name HD12) (segid "   A" and resid   40 and name  HD2) 2.381 0.709 0.709 weight 1.000 ! spec=13C, no=8, id=7, vol=3.960000e+05
assign (segid "   B" and resid  229 and name   HA) (segid "   A" and resid   45 and name  HA1) 3.078 1.184 1.184 weight 1.000 ! spec=13C, no=12, id=11, vol=8.480000e+04
assign (segid "   B" and resid  229 and name  HB2) (segid "   A" and resid   45 and name  HA1) 3.109 1.208 1.208 weight 1.000 ! spec=13C, no=13, id=12, vol=7.990000e+04
assign (segid "   B" and resid  203 and name  HB2) (segid "   B" and resid  203 and name  HB1) 2.578 0.830 0.830 weight 1.000 ! spec=13C, no=15, id=14, vol=2.460000e+05
assign (segid "   A" and resid   47 and name HG12) (segid "   A" and resid   47 and name   HA) 2.686 0.902 0.902 weight 1.000 ! spec=13C, no=16, id=15, vol=1.920000e+05
assign (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   47 and name HG12) 3.289 1.352 1.352 weight 1.000 ! spec=13C, no=19, id=18, vol=5.700000e+04
assign (segid "   B" and resid  203 and name  HB2) (segid "   A" and resid   47 and name HG12) 2.957 1.093 1.093 weight 1.000 ! spec=13C, no=21, id=20, vol=1.080000e+05
assign (segid "   A" and resid   48 and name   HA) (segid "   A" and resid   48 and name  HB2) 2.971 1.103 1.103 weight 1.000 ! spec=13C, no=23, id=22, vol=1.050000e+05
assign (segid "   A" and resid   48 and name  HB2) (segid "   A" and resid   48 and name HE21) 3.698 1.710 1.710 weight 1.000 ! spec=13C, no=27, id=26, vol=2.820000e+04
assign (segid "   B" and resid  224 and name  HE2) (segid "   A" and resid   48 and name HE21) 5.217 3.402 3.402 weight 1.000 ! spec=13C, no=28, id=27, vol=3.580000e+03
assign (segid "   A" and resid   48 and name  HG2) (segid "   A" and resid   48 and name HE21) 3.102 1.203 1.203 weight 1.000 ! spec=13C, no=29, id=28, vol=8.100000e+04
assign (segid "   A" and resid   48 and name   HA) (segid "   A" and resid   48 and name HE21) 2.821 0.995 0.995 weight 1.000 ! spec=13C, no=30, id=29, vol=1.430000e+05
assign (segid "   B" and resid  231 and name HD12) (segid "   A" and resid   48 and name HE21) 2.391 0.715 0.715 weight 1.000 ! spec=13C, no=34, id=33, vol=3.860000e+05
assign (segid "   B" and resid  231 and name   HG) (segid "   A" and resid   48 and name HE21) 3.863 1.866 1.866 weight 1.000 ! spec=13C, no=35, id=34, vol=2.170000e+04
assign (segid "   A" and resid   48 and name   HA) (segid "   A" and resid   48 and name HE22) 2.124 0.564 0.564 weight 1.000 ! spec=13C, no=37, id=36, vol=7.850000e+05
assign (segid "   A" and resid   48 and name  HG2) (segid "   A" and resid   48 and name HE22) 3.610 1.629 1.629 weight 1.000 ! spec=13C, no=43, id=42, vol=3.260000e+04
assign (segid "   A" and resid   48 and name   HA) (segid "   A" and resid   48 and name  HG2) 3.090 1.193 1.193 weight 1.000 ! spec=13C, no=44, id=43, vol=8.290000e+04
assign (segid "   B" and resid  260 and name  HG2) (segid "   B" and resid  260 and name   HA) 2.655 0.881 0.881 weight 1.000 ! spec=13C, no=47, id=46, vol=2.060000e+05
assign (segid "   A" and resid   51 and name  HE1) (segid "   A" and resid   51 and name  HB2) 3.393 1.439 1.439 weight 1.000 ! spec=13C, no=49, id=48, vol=4.730000e+04
assign (segid "   B" and resid  231 and name HD12) (segid "   A" and resid   52 and name  HD2) 3.556 1.580 1.580 weight 1.000 ! spec=13C, no=51, id=50, vol=3.570000e+04
assign (segid "   A" and resid   54 and name   HA) (segid "   A" and resid   54 and name  HB2) 3.164 1.251 1.251 weight 1.000 ! spec=13C, no=53, id=52, vol=7.190000e+04
assign (segid "   A" and resid   54 and name  HB2) (segid "   B" and resid  260 and name  HB2) 3.694 1.706 1.706 weight 1.000 ! spec=13C, no=54, id=53, vol=2.840000e+04
assign (segid "   B" and resid  260 and name  HG2) (segid "   B" and resid  260 and name  HB2) 3.342 1.396 1.396 weight 1.000 ! spec=13C, no=55, id=54, vol=5.180000e+04
assign (segid "   A" and resid   54 and name   HA) (segid "   A" and resid   54 and name  HD1) 4.333 2.347 2.347 weight 1.000 ! spec=13C, no=56, id=55, vol=1.090000e+04
assign (segid "   A" and resid   54 and name  HB2) (segid "   A" and resid   54 and name  HE2) 3.444 1.483 1.483 weight 1.000 ! spec=13C, no=58, id=57, vol=4.320000e+04
assign (segid "   B" and resid  242 and name  HG2) (segid "   A" and resid   54 and name  HE2) 2.957 1.093 1.093 weight 1.000 ! spec=13C, no=59, id=58, vol=1.080000e+05
assign (segid "   B" and resid  133 and name HD12) (segid "   A" and resid   88 and name  HA1) 3.499 1.531 1.531 weight 1.000 ! spec=13C, no=63, id=62, vol=3.930000e+04
assign (segid "   B" and resid  133 and name   HG) (segid "   A" and resid   88 and name  HA1) 4.060 2.061 2.061 weight 1.000 ! spec=13C, no=64, id=63, vol=1.610000e+04
assign (segid "   A" and resid   89 and name HD12) (segid "   A" and resid   89 and name   HG) 3.128 1.223 1.223 weight 1.000 ! spec=13C, no=66, id=65, vol=7.700000e+04
assign (segid "   B" and resid  150 and name HG12) (segid "   A" and resid   92 and name  HB2) 3.279 1.344 1.344 weight 1.000 ! spec=13C, no=67, id=66, vol=5.800000e+04
assign (segid "   B" and resid  186 and name  HE2) (segid "   B" and resid  186 and name   HA) 3.358 1.410 1.410 weight 1.000 ! spec=13C, no=68, id=67, vol=5.030000e+04
assign (segid "   B" and resid  147 and name HD12) (segid "   A" and resid   96 and name   HB) 2.374 0.704 0.704 weight 1.000 ! spec=13C, no=69, id=68, vol=4.030000e+05
assign (segid "   B" and resid  151 and name  HG2) (segid "   A" and resid   96 and name   HB) 2.435 0.741 0.741 weight 1.000 ! spec=13C, no=70, id=69, vol=3.460000e+05
assign (segid "   B" and resid  191 and name  HE2) (segid "   B" and resid  191 and name   HA) 3.538 1.564 1.564 weight 1.000 ! spec=13C, no=71, id=70, vol=3.680000e+04
assign (segid "   A" and resid   99 and name  HB2) (segid "   B" and resid  166 and name  HB2) 4.288 2.299 2.299 weight 1.000 ! spec=13C, no=73, id=72, vol=1.160000e+04
assign (segid "   B" and resid  170 and name   HB) (segid "   A" and resid   99 and name  HG2) 1.696 0.360 0.360 weight 1.000 ! spec=13C, no=75, id=74, vol=3.030000e+06
assign (segid "   B" and resid  170 and name HG12) (segid "   A" and resid   99 and name  HG2) 2.289 0.655 0.655 weight 1.000 ! spec=13C, no=77, id=76, vol=5.010000e+05
assign (segid "   A" and resid  100 and name  HG2) (segid "   A" and resid  100 and name  HD2) 3.894 1.895 1.895 weight 1.000 ! spec=13C, no=79, id=78, vol=2.070000e+04
assign (segid "   B" and resid  166 and name  HG2) (segid "   A" and resid  103 and name   HB) 5.212 3.395 3.395 weight 1.000 ! spec=13C, no=82, id=81, vol=3.600000e+03
assign (segid "   A" and resid  105 and name   HA) (segid "   A" and resid  105 and name  HE2) 3.894 1.895 1.895 weight 1.000 ! spec=13C, no=84, id=83, vol=2.070000e+04
assign (segid "   A" and resid  105 and name  HG2) (segid "   A" and resid  105 and name  HE2) 2.948 1.086 1.086 weight 1.000 ! spec=13C, no=86, id=85, vol=1.100000e+05
assign (segid "   B" and resid  203 and name  HB2) (segid "   A" and resid  108 and name   HZ) 3.217 1.294 1.294 weight 1.000 ! spec=13C, no=94, id=93, vol=6.510000e+04
assign (segid "   B" and resid  206 and name HG12) (segid "   A" and resid  108 and name   HZ) 8.423 8.423 8.869 weight 1.000 ! spec=13C, no=95, id=94, vol=2.020000e+02
assign (segid "   B" and resid  119 and name   HA) (segid "   B" and resid  118 and name   HA) 2.720 0.925 0.925 weight 1.000 ! spec=13C, no=96, id=95, vol=1.780000e+05
assign (segid "   B" and resid  119 and name  HB2) (segid "   B" and resid  118 and name  HB2) 4.104 2.105 2.105 weight 1.000 ! spec=13C, no=98, id=97, vol=1.510000e+04
assign (segid "   B" and resid  119 and name HD12) (segid "   B" and resid  118 and name  HB2) 1.996 0.498 0.498 weight 1.000 ! spec=13C, no=100, id=99, vol=1.140000e+06
assign (segid "   B" and resid  118 and name   HA) (segid "   B" and resid  119 and name   HN) 2.693 0.907 0.907 weight 1.000 ! spec=13C, no=102, id=101, vol=1.890000e+05
assign (segid "   B" and resid  119 and name  HB2) (segid "   B" and resid  119 and name   HN) 3.967 1.968 1.968 weight 1.000 ! spec=13C, no=105, id=104, vol=1.850000e+04
assign (segid "   B" and resid  119 and name   HA) (segid "   B" and resid  118 and name  HB2) 3.440 1.480 1.480 weight 1.000 ! spec=13C, no=110, id=109, vol=4.350000e+04
assign (segid "   B" and resid  120 and name   HA) (segid "   B" and resid  119 and name   HA) 3.110 1.209 1.209 weight 1.000 ! spec=13C, no=114, id=113, vol=7.970000e+04
assign (segid "   B" and resid  123 and name  HB2) (segid "   B" and resid  119 and name   HA) 3.152 1.242 1.242 weight 1.000 ! spec=13C, no=116, id=115, vol=7.350000e+04
assign (segid "   B" and resid  119 and name  HB2) (segid "   B" and resid  119 and name   HA) 2.655 0.881 0.881 weight 1.000 ! spec=13C, no=118, id=117, vol=2.060000e+05
assign (segid "   B" and resid  119 and name   HG) (segid "   B" and resid  119 and name  HB2) 3.574 1.597 1.597 weight 1.000 ! spec=13C, no=119, id=118, vol=3.460000e+04
assign (segid "   B" and resid  120 and name   HA) (segid "   B" and resid  119 and name  HB2) 3.019 1.139 1.139 weight 1.000 ! spec=13C, no=120, id=119, vol=9.530000e+04
assign (segid "   B" and resid  118 and name   HA) (segid "   B" and resid  119 and name   HG) 2.913 1.061 1.061 weight 1.000 ! spec=13C, no=121, id=120, vol=1.180000e+05
assign (segid "   B" and resid  119 and name   HG) (segid "   B" and resid  118 and name  HB2) 2.952 1.089 1.089 weight 1.000 ! spec=13C, no=122, id=121, vol=1.090000e+05
assign (segid "   B" and resid  118 and name  HG2) (segid "   B" and resid  119 and name   HG) 2.917 1.064 1.064 weight 1.000 ! spec=13C, no=123, id=122, vol=1.170000e+05
assign (segid "   B" and resid  119 and name  HB2) (segid "   B" and resid  120 and name   HN) 3.849 1.852 1.852 weight 1.000 ! spec=13C, no=126, id=125, vol=2.220000e+04
assign (segid "   B" and resid  119 and name   HG) (segid "   B" and resid  120 and name   HN) 4.104 2.105 2.105 weight 1.000 ! spec=13C, no=127, id=126, vol=1.510000e+04
assign (segid "   B" and resid  123 and name   HA) (segid "   B" and resid  120 and name   HN) 3.562 1.586 1.586 weight 1.000 ! spec=13C, no=129, id=128, vol=3.530000e+04
assign (segid "   B" and resid  123 and name  HB2) (segid "   B" and resid  120 and name   HN) 2.679 0.897 0.897 weight 1.000 ! spec=13C, no=130, id=129, vol=1.950000e+05
assign (segid "   B" and resid  123 and name  HG2) (segid "   B" and resid  120 and name   HN) 3.024 1.143 1.143 weight 1.000 ! spec=13C, no=131, id=130, vol=9.430000e+04
assign (segid "   B" and resid  123 and name  HB2) (segid "   B" and resid  120 and name   HB) 2.280 0.650 0.650 weight 1.000 ! spec=13C, no=136, id=135, vol=5.130000e+05
assign (segid "   B" and resid  122 and name   HA) (segid "   B" and resid  121 and name   HN) 4.052 2.052 2.052 weight 1.000 ! spec=13C, no=137, id=136, vol=1.630000e+04
assign (segid "   B" and resid  124 and name HD12) (segid "   B" and resid  121 and name   HA) 4.388 2.407 2.407 weight 1.000 ! spec=13C, no=139, id=138, vol=1.010000e+04
assign (segid "   B" and resid  120 and name   HB) (segid "   B" and resid  121 and name  HB2) 2.793 0.975 0.975 weight 1.000 ! spec=13C, no=140, id=139, vol=1.520000e+05
assign (segid "   B" and resid  122 and name  HG2) (segid "   B" and resid  121 and name  HB2) 1.423 0.253 0.253 weight 1.000 ! spec=13C, no=141, id=140, vol=8.690000e+06
assign (segid "   B" and resid  120 and name   HA) (segid "   B" and resid  122 and name   HN) 2.620 0.858 0.858 weight 1.000 ! spec=13C, no=145, id=144, vol=2.230000e+05
assign (segid "   B" and resid  120 and name   HB) (segid "   B" and resid  122 and name   HN) 2.497 0.779 0.779 weight 1.000 ! spec=13C, no=146, id=145, vol=2.980000e+05
assign (segid "   B" and resid  123 and name   HA) (segid "   B" and resid  122 and name   HN) 3.562 1.586 1.586 weight 1.000 ! spec=13C, no=147, id=146, vol=3.530000e+04
assign (segid "   B" and resid  121 and name  HB2) (segid "   B" and resid  122 and name   HA) 2.462 0.758 0.758 weight 1.000 ! spec=13C, no=148, id=147, vol=3.240000e+05
assign (segid "   B" and resid  124 and name   HB) (segid "   B" and resid  122 and name   HA) 2.787 0.971 0.971 weight 1.000 ! spec=13C, no=151, id=150, vol=1.540000e+05
assign (segid "   B" and resid  121 and name   HA) (segid "   B" and resid  122 and name  HG2) 3.804 1.809 1.809 weight 1.000 ! spec=13C, no=154, id=153, vol=2.380000e+04
assign (segid "   B" and resid  122 and name  HG2) (segid "   B" and resid  121 and name  HG2) 2.588 0.837 0.837 weight 1.000 ! spec=13C, no=156, id=155, vol=2.400000e+05
assign (segid "   B" and resid  120 and name   HB) (segid "   B" and resid  123 and name   HN) 1.931 0.466 0.466 weight 1.000 ! spec=13C, no=158, id=157, vol=1.390000e+06
assign (segid "   B" and resid  126 and name  HG2) (segid "   B" and resid  123 and name   HA) 2.793 0.975 0.975 weight 1.000 ! spec=13C, no=161, id=160, vol=1.520000e+05
assign (segid "   B" and resid  120 and name   HA) (segid "   B" and resid  123 and name  HB2) 2.821 0.995 0.995 weight 1.000 ! spec=13C, no=162, id=161, vol=1.430000e+05
assign (segid "   B" and resid  124 and name HD12) (segid "   B" and resid  123 and name  HG2) 4.877 2.973 2.973 weight 1.000 ! spec=13C, no=164, id=163, vol=5.360000e+03
assign (segid "   B" and resid  123 and name   HA) (segid "   B" and resid  124 and name HD12) 6.963 6.061 6.061 weight 1.000 ! spec=13C, no=171, id=170, vol=6.330000e+02
assign (segid "   B" and resid  123 and name  HB2) (segid "   B" and resid  124 and name HD12) 2.677 0.896 0.896 weight 1.000 ! spec=13C, no=172, id=171, vol=1.960000e+05
assign (segid "   B" and resid  124 and name HD12) (segid "   B" and resid  124 and name   HA) 3.783 1.789 1.789 weight 1.000 ! spec=13C, no=173, id=172, vol=2.460000e+04
assign (segid "   B" and resid  124 and name HD12) (segid "   B" and resid  125 and name   HN) 3.771 1.777 1.777 weight 1.000 ! spec=13C, no=176, id=175, vol=2.510000e+04
assign (segid "   B" and resid  126 and name   HA) (segid "   B" and resid  125 and name   HN) 3.375 1.424 1.424 weight 1.000 ! spec=13C, no=177, id=176, vol=4.880000e+04
assign (segid "   B" and resid  124 and name HD12) (segid "   B" and resid  125 and name   HA) 4.744 2.813 2.813 weight 1.000 ! spec=13C, no=178, id=177, vol=6.330000e+03
assign (segid "   B" and resid  128 and name  HD2) (segid "   B" and resid  125 and name   HA) 3.829 1.832 1.832 weight 1.000 ! spec=13C, no=179, id=178, vol=2.290000e+04
assign (segid "   B" and resid  124 and name   HB) (segid "   B" and resid  126 and name   HN) 3.426 1.467 1.467 weight 1.000 ! spec=13C, no=181, id=180, vol=4.460000e+04
assign (segid "   B" and resid  122 and name   HA) (segid "   B" and resid  126 and name  HB2) 3.278 1.344 1.344 weight 1.000 ! spec=13C, no=182, id=181, vol=5.810000e+04
assign (segid "   B" and resid  122 and name  HB2) (segid "   B" and resid  126 and name  HB2) 1.439 0.259 0.259 weight 1.000 ! spec=13C, no=183, id=182, vol=8.130000e+06
assign (segid "   B" and resid  123 and name   HA) (segid "   B" and resid  126 and name  HB2) 3.272 1.338 1.338 weight 1.000 ! spec=13C, no=184, id=183, vol=5.880000e+04
assign (segid "   B" and resid  124 and name HD12) (segid "   B" and resid  127 and name  HB2) 4.069 2.069 2.069 weight 1.000 ! spec=13C, no=186, id=185, vol=1.590000e+04
assign (segid "   B" and resid  126 and name  HB2) (segid "   B" and resid  127 and name  HD1) 3.514 1.544 1.544 weight 1.000 ! spec=13C, no=189, id=188, vol=3.830000e+04
assign (segid "   B" and resid  130 and name  HB2) (segid "   B" and resid  127 and name  HD1) 3.749 1.757 1.757 weight 1.000 ! spec=13C, no=191, id=190, vol=2.600000e+04
assign (segid "   B" and resid  124 and name   HA) (segid "   B" and resid  127 and name  HD2) 5.808 4.216 4.216 weight 1.000 ! spec=13C, no=193, id=192, vol=1.880000e+03
assign (segid "   B" and resid  184 and name HD12) (segid "   B" and resid  127 and name  HD2) 2.805 0.984 0.984 weight 1.000 ! spec=13C, no=194, id=193, vol=1.480000e+05
assign (segid "   B" and resid  127 and name   HA) (segid "   B" and resid  127 and name  HE2) 3.366 1.416 1.416 weight 1.000 ! spec=13C, no=198, id=197, vol=4.960000e+04
assign (segid "   B" and resid  187 and name  HB2) (segid "   B" and resid  127 and name  HE2) 3.215 1.292 1.292 weight 1.000 ! spec=13C, no=199, id=198, vol=6.530000e+04
assign (segid "   B" and resid  125 and name  HB2) (segid "   B" and resid  128 and name   HN) 4.270 2.279 2.279 weight 1.000 ! spec=13C, no=201, id=200, vol=1.190000e+04
assign (segid "   B" and resid  126 and name  HB2) (segid "   B" and resid  128 and name   HN) 3.960 1.960 1.960 weight 1.000 ! spec=13C, no=202, id=201, vol=1.870000e+04
assign (segid "   B" and resid  127 and name   HA) (segid "   B" and resid  128 and name  HB2) 3.251 1.321 1.321 weight 1.000 ! spec=13C, no=204, id=203, vol=6.110000e+04
assign (segid "   B" and resid  127 and name  HB2) (segid "   B" and resid  130 and name   HN) 3.631 1.648 1.648 weight 1.000 ! spec=13C, no=207, id=206, vol=3.150000e+04
assign (segid "   B" and resid  133 and name HD12) (segid "   B" and resid  130 and name   HA) 3.594 1.614 1.614 weight 1.000 ! spec=13C, no=210, id=209, vol=3.350000e+04
assign (segid "   B" and resid  142 and name HD12) (segid "   B" and resid  131 and name  HD1) 3.834 1.838 1.838 weight 1.000 ! spec=13C, no=212, id=211, vol=2.270000e+04
assign (segid "   B" and resid  183 and name   HA) (segid "   B" and resid  131 and name  HD1) 4.732 2.798 2.798 weight 1.000 ! spec=13C, no=213, id=212, vol=6.430000e+03
assign (segid "   B" and resid  135 and name  HB2) (segid "   B" and resid  131 and name  HD2) 3.302 1.363 1.363 weight 1.000 ! spec=13C, no=215, id=214, vol=5.570000e+04
assign (segid "   B" and resid  135 and name  HB2) (segid "   B" and resid  131 and name  HE2) 3.650 1.666 1.666 weight 1.000 ! spec=13C, no=216, id=215, vol=3.050000e+04
assign (segid "   B" and resid  142 and name   HB) (segid "   B" and resid  131 and name  HE2) 3.791 1.797 1.797 weight 1.000 ! spec=13C, no=217, id=216, vol=2.430000e+04
assign (segid "   B" and resid  142 and name HD12) (segid "   B" and resid  131 and name  HE2) 3.694 1.706 1.706 weight 1.000 ! spec=13C, no=218, id=217, vol=2.840000e+04
assign (segid "   B" and resid  178 and name   HA) (segid "   B" and resid  131 and name  HE2) 3.348 1.401 1.401 weight 1.000 ! spec=13C, no=219, id=218, vol=5.120000e+04
assign (segid "   B" and resid  178 and name   HB) (segid "   B" and resid  131 and name  HE2) 4.141 2.144 2.144 weight 1.000 ! spec=13C, no=220, id=219, vol=1.430000e+04
assign (segid "   B" and resid  179 and name   HA) (segid "   B" and resid  131 and name  HE2) 3.654 1.669 1.669 weight 1.000 ! spec=13C, no=222, id=221, vol=3.030000e+04
assign (segid "   B" and resid  183 and name  HB2) (segid "   B" and resid  131 and name  HE2) 3.218 1.294 1.294 weight 1.000 ! spec=13C, no=223, id=222, vol=6.500000e+04
assign (segid "   B" and resid  135 and name  HB2) (segid "   B" and resid  131 and name   HZ) 5.861 4.294 4.294 weight 1.000 ! spec=13C, no=224, id=223, vol=1.780000e+03
assign (segid "   B" and resid  140 and name  HA1) (segid "   B" and resid  131 and name   HZ) 3.317 1.375 1.375 weight 1.000 ! spec=13C, no=225, id=224, vol=5.420000e+04
assign (segid "   B" and resid  141 and name   HA) (segid "   B" and resid  131 and name   HZ) 3.235 1.308 1.308 weight 1.000 ! spec=13C, no=226, id=225, vol=6.300000e+04
assign (segid "   B" and resid  141 and name   HB) (segid "   B" and resid  131 and name   HZ) 4.904 3.006 3.006 weight 1.000 ! spec=13C, no=227, id=226, vol=5.190000e+03
assign (segid "   B" and resid  142 and name   HA) (segid "   B" and resid  131 and name   HZ) 4.460 2.486 2.486 weight 1.000 ! spec=13C, no=228, id=227, vol=9.170000e+03
assign (segid "   B" and resid  142 and name   HB) (segid "   B" and resid  131 and name   HZ) 3.502 1.533 1.533 weight 1.000 ! spec=13C, no=229, id=228, vol=3.910000e+04
assign (segid "   B" and resid  142 and name HD12) (segid "   B" and resid  131 and name   HZ) 4.073 2.074 2.074 weight 1.000 ! spec=13C, no=230, id=229, vol=1.580000e+04
assign (segid "   B" and resid  179 and name   HA) (segid "   B" and resid  131 and name   HZ) 3.284 1.348 1.348 weight 1.000 ! spec=13C, no=231, id=230, vol=5.750000e+04
assign (segid "   B" and resid  179 and name  HB2) (segid "   B" and resid  131 and name   HZ) 7.022 6.163 6.163 weight 1.000 ! spec=13C, no=232, id=231, vol=6.020000e+02
assign (segid "   B" and resid  129 and name  HB2) (segid "   B" and resid  132 and name   HN) 2.985 1.114 1.114 weight 1.000 ! spec=13C, no=233, id=232, vol=1.020000e+05
assign (segid "   B" and resid  130 and name  HB2) (segid "   B" and resid  132 and name   HN) 3.185 1.268 1.268 weight 1.000 ! spec=13C, no=234, id=233, vol=6.910000e+04
assign (segid "   B" and resid  130 and name  HB2) (segid "   B" and resid  133 and name   HN) 4.091 2.092 2.092 weight 1.000 ! spec=13C, no=236, id=235, vol=1.540000e+04
assign (segid "   B" and resid  131 and name  HB2) (segid "   B" and resid  133 and name   HN) 2.943 1.083 1.083 weight 1.000 ! spec=13C, no=237, id=236, vol=1.110000e+05
assign (segid "   A" and resid   92 and name  HB2) (segid "   B" and resid  133 and name  HB2) 3.414 1.457 1.457 weight 1.000 ! spec=13C, no=239, id=238, vol=4.560000e+04
assign (segid "   B" and resid  130 and name  HB2) (segid "   B" and resid  133 and name  HB2) 3.522 1.551 1.551 weight 1.000 ! spec=13C, no=240, id=239, vol=3.780000e+04
assign (segid "   B" and resid  131 and name   HA) (segid "   B" and resid  133 and name  HB2) 4.095 2.096 2.096 weight 1.000 ! spec=13C, no=241, id=240, vol=1.530000e+04
assign (segid "   B" and resid  134 and name   HA) (segid "   B" and resid  133 and name  HB2) 3.454 1.491 1.491 weight 1.000 ! spec=13C, no=242, id=241, vol=4.250000e+04
assign (segid "   B" and resid  134 and name  HB2) (segid "   B" and resid  133 and name  HB2) 4.580 2.622 2.622 weight 1.000 ! spec=13C, no=243, id=242, vol=7.820000e+03
assign (segid "   A" and resid   91 and name HG12) (segid "   B" and resid  133 and name   HG) 2.252 0.634 0.634 weight 1.000 ! spec=13C, no=244, id=243, vol=5.530000e+05
assign (segid "   B" and resid  129 and name   HA) (segid "   B" and resid  133 and name   HG) 3.586 1.608 1.608 weight 1.000 ! spec=13C, no=245, id=244, vol=3.390000e+04
assign (segid "   B" and resid  129 and name  HB2) (segid "   B" and resid  133 and name   HG) 3.514 1.544 1.544 weight 1.000 ! spec=13C, no=246, id=245, vol=3.830000e+04
assign (segid "   B" and resid  129 and name  HG2) (segid "   B" and resid  133 and name   HG) 1.929 0.465 0.465 weight 1.000 ! spec=13C, no=247, id=246, vol=1.400000e+06
assign (segid "   B" and resid  130 and name  HB2) (segid "   B" and resid  133 and name   HG) 4.202 2.207 2.207 weight 1.000 ! spec=13C, no=249, id=248, vol=1.310000e+04
assign (segid "   B" and resid  132 and name   HA) (segid "   B" and resid  133 and name   HG) 3.610 1.629 1.629 weight 1.000 ! spec=13C, no=250, id=249, vol=3.260000e+04
assign (segid "   B" and resid  132 and name  HB2) (segid "   B" and resid  133 and name   HG) 3.173 1.258 1.258 weight 1.000 ! spec=13C, no=251, id=250, vol=7.070000e+04
assign (segid "   B" and resid  135 and name  HB2) (segid "   B" and resid  134 and name   HN) 3.982 1.982 1.982 weight 1.000 ! spec=13C, no=254, id=253, vol=1.810000e+04
assign (segid "   B" and resid  150 and name HG12) (segid "   B" and resid  134 and name   HA) 4.192 2.196 2.196 weight 1.000 ! spec=13C, no=255, id=254, vol=1.330000e+04
assign (segid "   B" and resid  142 and name HD12) (segid "   B" and resid  134 and name  HB2) 4.056 2.057 2.057 weight 1.000 ! spec=13C, no=259, id=258, vol=1.620000e+04
assign (segid "   B" and resid  142 and name HD12) (segid "   B" and resid  134 and name  HD1) 6.370 5.072 5.072 weight 1.000 ! spec=13C, no=260, id=259, vol=1.080000e+03
assign (segid "   B" and resid  147 and name   HA) (segid "   B" and resid  134 and name  HD1) 2.739 0.938 0.938 weight 1.000 ! spec=13C, no=261, id=260, vol=1.710000e+05
assign (segid "   B" and resid  147 and name  HB2) (segid "   B" and resid  134 and name  HD1) 8.571 8.571 9.182 weight 1.000 ! spec=13C, no=262, id=261, vol=1.820000e+02
assign (segid "   B" and resid  150 and name   HA) (segid "   B" and resid  134 and name  HD1) 4.353 2.369 2.369 weight 1.000 ! spec=13C, no=264, id=263, vol=1.060000e+04
assign (segid "   B" and resid  150 and name   HB) (segid "   B" and resid  134 and name  HD1) 4.326 2.340 2.340 weight 1.000 ! spec=13C, no=265, id=264, vol=1.100000e+04
assign (segid "   B" and resid  150 and name HG12) (segid "   B" and resid  134 and name  HD1) 3.344 1.398 1.398 weight 1.000 ! spec=13C, no=266, id=265, vol=5.160000e+04
assign (segid "   B" and resid  130 and name   HA) (segid "   B" and resid  134 and name  HD2) 3.256 1.326 1.326 weight 1.000 ! spec=13C, no=268, id=267, vol=6.050000e+04
assign (segid "   B" and resid  130 and name  HB2) (segid "   B" and resid  134 and name  HD2) 4.235 2.242 2.242 weight 1.000 ! spec=13C, no=269, id=268, vol=1.250000e+04
assign (segid "   B" and resid  131 and name   HA) (segid "   B" and resid  134 and name  HD2) 3.967 1.968 1.968 weight 1.000 ! spec=13C, no=270, id=269, vol=1.850000e+04
assign (segid "   A" and resid   95 and name   HA) (segid "   B" and resid  134 and name  HE2) 3.071 1.179 1.179 weight 1.000 ! spec=13C, no=271, id=270, vol=8.600000e+04
assign (segid "   A" and resid   95 and name  HB2) (segid "   B" and resid  134 and name  HE2) 3.007 1.130 1.130 weight 1.000 ! spec=13C, no=272, id=271, vol=9.760000e+04
assign (segid "   A" and resid   96 and name   HB) (segid "   B" and resid  134 and name  HE2) 3.559 1.583 1.583 weight 1.000 ! spec=13C, no=273, id=272, vol=3.550000e+04
assign (segid "   B" and resid  130 and name   HA) (segid "   B" and resid  134 and name  HE2) 3.437 1.476 1.476 weight 1.000 ! spec=13C, no=275, id=274, vol=4.380000e+04
assign (segid "   B" and resid  130 and name  HB2) (segid "   B" and resid  134 and name  HE2) 4.932 3.041 3.041 weight 1.000 ! spec=13C, no=276, id=275, vol=5.010000e+03
assign (segid "   B" and resid  133 and name  HB2) (segid "   B" and resid  134 and name  HE2) 7.708 7.427 7.427 weight 1.000 ! spec=13C, no=277, id=276, vol=3.440000e+02
assign (segid "   B" and resid  150 and name HG12) (segid "   B" and resid  134 and name  HE2) 3.401 1.446 1.446 weight 1.000 ! spec=13C, no=279, id=278, vol=4.660000e+04
assign (segid "   A" and resid   92 and name   HA) (segid "   B" and resid  134 and name   HZ) 3.182 1.266 1.266 weight 1.000 ! spec=13C, no=281, id=280, vol=6.950000e+04
assign (segid "   A" and resid   92 and name  HB2) (segid "   B" and resid  134 and name   HZ) 5.675 4.026 4.026 weight 1.000 ! spec=13C, no=282, id=281, vol=2.160000e+03
assign (segid "   A" and resid   95 and name   HA) (segid "   B" and resid  134 and name   HZ) 3.071 1.179 1.179 weight 1.000 ! spec=13C, no=283, id=282, vol=8.600000e+04
assign (segid "   A" and resid   95 and name  HB2) (segid "   B" and resid  134 and name   HZ) 3.007 1.130 1.130 weight 1.000 ! spec=13C, no=284, id=283, vol=9.760000e+04
assign (segid "   A" and resid   96 and name   HA) (segid "   B" and resid  134 and name   HZ) 3.799 1.804 1.804 weight 1.000 ! spec=13C, no=285, id=284, vol=2.400000e+04
assign (segid "   A" and resid   96 and name   HB) (segid "   B" and resid  134 and name   HZ) 3.559 1.583 1.583 weight 1.000 ! spec=13C, no=286, id=285, vol=3.550000e+04
assign (segid "   A" and resid   99 and name  HE2) (segid "   B" and resid  134 and name   HZ) 3.191 1.273 1.273 weight 1.000 ! spec=13C, no=287, id=286, vol=6.830000e+04
assign (segid "   B" and resid  150 and name HG12) (segid "   B" and resid  134 and name   HZ) 3.401 1.446 1.446 weight 1.000 ! spec=13C, no=288, id=287, vol=4.660000e+04
assign (segid "   B" and resid  132 and name  HB2) (segid "   B" and resid  135 and name   HN) 2.799 0.979 0.979 weight 1.000 ! spec=13C, no=289, id=288, vol=1.500000e+05
assign (segid "   B" and resid  133 and name  HB2) (segid "   B" and resid  135 and name   HN) 4.208 2.213 2.213 weight 1.000 ! spec=13C, no=290, id=289, vol=1.300000e+04
assign (segid "   B" and resid  134 and name  HB2) (segid "   B" and resid  135 and name  HB2) 3.700 1.712 1.712 weight 1.000 ! spec=13C, no=295, id=294, vol=2.810000e+04
assign (segid "   B" and resid  134 and name   HA) (segid "   B" and resid  136 and name   HN) 8.619 8.619 9.286 weight 1.000 ! spec=13C, no=297, id=296, vol=1.760000e+02
assign (segid "   B" and resid  133 and name   HA) (segid "   B" and resid  136 and name  HG2) 3.079 1.185 1.185 weight 1.000 ! spec=13C, no=298, id=297, vol=8.470000e+04
assign (segid "   B" and resid  137 and name  HB2) (segid "   B" and resid  135 and name   HA) 3.567 1.591 1.591 weight 1.000 ! spec=13C, no=299, id=298, vol=3.500000e+04
assign (segid "   B" and resid  136 and name   HA) (segid "   B" and resid  137 and name  HB2) 3.505 1.536 1.536 weight 1.000 ! spec=13C, no=301, id=300, vol=3.890000e+04
assign (segid "   B" and resid  139 and name  HB2) (segid "   B" and resid  137 and name  HB2) 2.011 0.506 0.506 weight 1.000 ! spec=13C, no=304, id=303, vol=1.090000e+06
assign (segid "   B" and resid  137 and name   HA) (segid "   B" and resid  138 and name  HA1) 2.863 1.025 1.025 weight 1.000 ! spec=13C, no=305, id=304, vol=1.310000e+05
assign (segid "   B" and resid  138 and name  HA1) (segid "   B" and resid  137 and name  HB2) 3.739 1.748 1.748 weight 1.000 ! spec=13C, no=306, id=305, vol=2.640000e+04
assign (segid "   B" and resid  139 and name   HA) (segid "   B" and resid  138 and name  HA1) 4.929 3.037 3.037 weight 1.000 ! spec=13C, no=307, id=306, vol=5.030000e+03
assign (segid "   B" and resid  140 and name  HA1) (segid "   B" and resid  139 and name  HB2) 4.295 2.305 2.305 weight 1.000 ! spec=13C, no=308, id=307, vol=1.150000e+04
assign (segid "   B" and resid  141 and name   HB) (segid "   B" and resid  139 and name  HB2) 3.967 1.968 1.968 weight 1.000 ! spec=13C, no=309, id=308, vol=1.850000e+04
assign (segid "   B" and resid  141 and name HG21) (segid "   B" and resid  139 and name  HB2) 3.723 1.732 1.732 weight 1.000 ! spec=13C, no=310, id=309, vol=2.710000e+04
assign (segid "   B" and resid  137 and name  HB2) (segid "   B" and resid  140 and name   HN) 3.087 1.192 1.192 weight 1.000 ! spec=13C, no=311, id=310, vol=8.330000e+04
assign (segid "   B" and resid  141 and name   HB) (segid "   B" and resid  140 and name   HN) 3.533 1.560 1.560 weight 1.000 ! spec=13C, no=312, id=311, vol=3.710000e+04
assign (segid "   B" and resid  141 and name HG21) (segid "   B" and resid  140 and name   HN) 5.361 3.592 3.592 weight 1.000 ! spec=13C, no=313, id=312, vol=3.040000e+03
assign (segid "   B" and resid  135 and name  HB2) (segid "   B" and resid  140 and name  HA1) 4.812 2.895 2.895 weight 1.000 ! spec=13C, no=314, id=313, vol=5.810000e+03
assign (segid "   B" and resid  141 and name   HA) (segid "   B" and resid  140 and name  HA1) 3.117 1.214 1.214 weight 1.000 ! spec=13C, no=317, id=315, vol=7.870000e+04
assign (segid "   B" and resid  141 and name HG21) (segid "   B" and resid  141 and name   HA) 4.012 2.012 2.012 weight 1.000 ! spec=13C, no=319, id=317, vol=1.730000e+04
assign (segid "   B" and resid  142 and name HD12) (segid "   B" and resid  141 and name   HA) 3.588 1.609 1.609 weight 1.000 ! spec=13C, no=320, id=318, vol=3.380000e+04
assign (segid "   B" and resid  177 and name   HB) (segid "   B" and resid  141 and name   HA) 2.922 1.067 1.067 weight 1.000 ! spec=13C, no=321, id=319, vol=1.160000e+05
assign (segid "   B" and resid  179 and name  HB2) (segid "   B" and resid  141 and name   HA) 5.315 3.531 3.531 weight 1.000 ! spec=13C, no=323, id=321, vol=3.200000e+03
assign (segid "   B" and resid  177 and name  HG1) (segid "   B" and resid  141 and name   HB) 2.961 1.096 1.096 weight 1.000 ! spec=13C, no=327, id=325, vol=1.070000e+05
assign (segid "   B" and resid  142 and name HD12) (segid "   B" and resid  142 and name   HN) 3.727 1.737 1.737 weight 1.000 ! spec=13C, no=329, id=327, vol=2.690000e+04
assign (segid "   B" and resid  177 and name  HG1) (segid "   B" and resid  142 and name   HN) 3.405 1.449 1.449 weight 1.000 ! spec=13C, no=332, id=330, vol=4.630000e+04
assign (segid "   B" and resid  178 and name HG12) (segid "   B" and resid  142 and name   HN) 3.393 1.439 1.439 weight 1.000 ! spec=13C, no=333, id=331, vol=4.730000e+04
assign (segid "   B" and resid  142 and name   HA) (segid "   B" and resid  141 and name   HB) 3.371 1.420 1.420 weight 1.000 ! spec=13C, no=334, id=332, vol=4.920000e+04
assign (segid "   B" and resid  146 and name   HA) (segid "   B" and resid  142 and name   HA) 4.122 2.124 2.124 weight 1.000 ! spec=13C, no=338, id=336, vol=1.470000e+04
assign (segid "   B" and resid  142 and name HD12) (segid "   B" and resid  142 and name   HB) 3.277 1.342 1.342 weight 1.000 ! spec=13C, no=339, id=337, vol=5.830000e+04
assign (segid "   B" and resid  143 and name   HA) (segid "   B" and resid  142 and name   HB) 3.439 1.478 1.478 weight 1.000 ! spec=13C, no=341, id=339, vol=4.360000e+04
assign (segid "   B" and resid  178 and name HG12) (segid "   B" and resid  142 and name   HB) 2.913 1.061 1.061 weight 1.000 ! spec=13C, no=343, id=341, vol=1.180000e+05
assign (segid "   B" and resid  134 and name   HA) (segid "   B" and resid  142 and name HD12) 4.891 2.990 2.990 weight 1.000 ! spec=13C, no=344, id=342, vol=5.270000e+03
assign (segid "   B" and resid  142 and name HD12) (segid "   B" and resid  135 and name   HA) 2.990 1.117 1.117 weight 1.000 ! spec=13C, no=346, id=344, vol=1.010000e+05
assign (segid "   B" and resid  142 and name HD12) (segid "   B" and resid  135 and name  HB2) 3.913 1.914 1.914 weight 1.000 ! spec=13C, no=347, id=345, vol=2.010000e+04
assign (segid "   B" and resid  146 and name  HB2) (segid "   B" and resid  142 and name HD12) 3.687 1.700 1.700 weight 1.000 ! spec=13C, no=352, id=348, vol=2.870000e+04
assign (segid "   B" and resid  143 and name  HG1) (segid "   B" and resid  143 and name   HN) 3.496 1.528 1.528 weight 1.000 ! spec=13C, no=355, id=351, vol=3.950000e+04
assign (segid "   B" and resid  142 and name HD12) (segid "   B" and resid  143 and name   HA) 3.834 1.838 1.838 weight 1.000 ! spec=13C, no=356, id=352, vol=2.270000e+04
assign (segid "   B" and resid  145 and name   HA) (segid "   B" and resid  143 and name   HB) 3.783 1.789 1.789 weight 1.000 ! spec=13C, no=360, id=356, vol=2.460000e+04
assign (segid "   B" and resid  144 and name   HA) (segid "   B" and resid  143 and name  HG1) 3.230 1.304 1.304 weight 1.000 ! spec=13C, no=364, id=359, vol=6.350000e+04
assign (segid "   B" and resid  144 and name   HB) (segid "   B" and resid  143 and name  HG1) 3.143 1.234 1.234 weight 1.000 ! spec=13C, no=365, id=360, vol=7.490000e+04
assign (segid "   B" and resid  145 and name   HA) (segid "   B" and resid  143 and name  HG1) 3.739 1.748 1.748 weight 1.000 ! spec=13C, no=366, id=361, vol=2.640000e+04
assign (segid "   B" and resid  145 and name  HB2) (segid "   B" and resid  143 and name  HG1) 6.268 4.911 4.911 weight 1.000 ! spec=13C, no=367, id=362, vol=1.190000e+03
assign (segid "   B" and resid  145 and name  HG2) (segid "   B" and resid  143 and name  HG1) 4.333 2.347 2.347 weight 1.000 ! spec=13C, no=368, id=363, vol=1.090000e+04
assign (segid "   B" and resid  146 and name   HA) (segid "   B" and resid  143 and name  HG1) 4.024 2.024 2.024 weight 1.000 ! spec=13C, no=369, id=364, vol=1.700000e+04
assign (segid "   B" and resid  145 and name   HA) (segid "   B" and resid  144 and name   HN) 3.017 1.138 1.138 weight 1.000 ! spec=13C, no=372, id=367, vol=9.560000e+04
assign (segid "   B" and resid  143 and name   HB) (segid "   B" and resid  144 and name   HA) 3.433 1.473 1.473 weight 1.000 ! spec=13C, no=374, id=369, vol=4.410000e+04
assign (segid "   B" and resid  147 and name   HA) (segid "   B" and resid  144 and name   HA) 3.239 1.311 1.311 weight 1.000 ! spec=13C, no=375, id=370, vol=6.250000e+04
assign (segid "   B" and resid  147 and name HD12) (segid "   B" and resid  144 and name   HA) 5.379 3.616 3.616 weight 1.000 ! spec=13C, no=376, id=371, vol=2.980000e+03
assign (segid "   B" and resid  163 and name  HB2) (segid "   B" and resid  144 and name   HA) 4.474 2.503 2.503 weight 1.000 ! spec=13C, no=377, id=372, vol=8.990000e+03
assign (segid "   B" and resid  167 and name HG12) (segid "   B" and resid  144 and name   HA) 4.481 2.510 2.510 weight 1.000 ! spec=13C, no=379, id=374, vol=8.910000e+03
assign (segid "   B" and resid  163 and name   HA) (segid "   B" and resid  144 and name   HB) 3.161 1.249 1.249 weight 1.000 ! spec=13C, no=380, id=375, vol=7.230000e+04
assign (segid "   B" and resid  163 and name HD12) (segid "   B" and resid  144 and name   HB) 3.916 1.917 1.917 weight 1.000 ! spec=13C, no=382, id=377, vol=2.000000e+04
assign (segid "   B" and resid  143 and name  HG1) (segid "   B" and resid  145 and name   HN) 3.255 1.324 1.324 weight 1.000 ! spec=13C, no=383, id=378, vol=6.070000e+04
assign (segid "   B" and resid  144 and name HG21) (segid "   B" and resid  145 and name   HN) 2.747 0.943 0.943 weight 1.000 ! spec=13C, no=384, id=379, vol=1.680000e+05
assign (segid "   B" and resid  145 and name  HB2) (segid "   B" and resid  143 and name   HB) 3.254 1.323 1.323 weight 1.000 ! spec=13C, no=385, id=380, vol=6.080000e+04
assign (segid "   B" and resid  146 and name   HA) (segid "   B" and resid  145 and name  HD2) 4.464 2.491 2.491 weight 1.000 ! spec=13C, no=388, id=383, vol=9.120000e+03
assign (segid "   B" and resid  149 and name   HB) (segid "   B" and resid  145 and name  HD2) 4.020 2.020 2.020 weight 1.000 ! spec=13C, no=389, id=384, vol=1.710000e+04
assign (segid "   B" and resid  143 and name  HG1) (segid "   B" and resid  146 and name   HN) 3.288 1.351 1.351 weight 1.000 ! spec=13C, no=390, id=385, vol=5.710000e+04
assign (segid "   B" and resid  144 and name   HB) (segid "   B" and resid  146 and name   HN) 3.837 1.841 1.841 weight 1.000 ! spec=13C, no=391, id=386, vol=2.260000e+04
assign (segid "   B" and resid  145 and name  HD2) (segid "   B" and resid  146 and name   HN) 2.515 0.791 0.791 weight 1.000 ! spec=13C, no=392, id=387, vol=2.850000e+05
assign (segid "   B" and resid  144 and name   HA) (segid "   B" and resid  146 and name  HB2) 3.538 1.564 1.564 weight 1.000 ! spec=13C, no=396, id=391, vol=3.680000e+04
assign (segid "   B" and resid  145 and name   HA) (segid "   B" and resid  146 and name  HB2) 4.028 2.028 2.028 weight 1.000 ! spec=13C, no=397, id=392, vol=1.690000e+04
assign (segid "   B" and resid  135 and name   HA) (segid "   B" and resid  146 and name  HG2) 2.758 0.951 0.951 weight 1.000 ! spec=13C, no=398, id=393, vol=1.640000e+05
assign (segid "   B" and resid  142 and name HD12) (segid "   B" and resid  147 and name   HN) 6.225 4.844 4.844 weight 1.000 ! spec=13C, no=399, id=394, vol=1.240000e+03
assign (segid "   B" and resid  134 and name  HB2) (segid "   B" and resid  147 and name   HA) 5.226 3.414 3.414 weight 1.000 ! spec=13C, no=402, id=397, vol=3.540000e+03
assign (segid "   B" and resid  142 and name HD12) (segid "   B" and resid  147 and name   HA) 4.052 2.052 2.052 weight 1.000 ! spec=13C, no=403, id=398, vol=1.630000e+04
assign (segid "   B" and resid  150 and name HG12) (segid "   B" and resid  147 and name   HA) 3.989 1.989 1.989 weight 1.000 ! spec=13C, no=404, id=399, vol=1.790000e+04
assign (segid "   B" and resid  142 and name HD12) (segid "   B" and resid  147 and name  HB2) 3.623 1.641 1.641 weight 1.000 ! spec=13C, no=405, id=400, vol=3.190000e+04
assign (segid "   B" and resid  147 and name  HB2) (segid "   B" and resid  147 and name   HG) 4.830 2.917 2.917 weight 1.000 ! spec=13C, no=407, id=402, vol=5.680000e+03
assign (segid "   B" and resid  151 and name  HG2) (segid "   B" and resid  147 and name   HG) 4.610 2.656 2.656 weight 1.000 ! spec=13C, no=410, id=405, vol=7.520000e+03
assign (segid "   B" and resid  163 and name  HB2) (segid "   B" and resid  147 and name   HG) 3.576 1.598 1.598 weight 1.000 ! spec=13C, no=411, id=406, vol=3.450000e+04
assign (segid "   B" and resid  163 and name HD12) (segid "   B" and resid  147 and name   HG) 1.528 0.292 0.292 weight 1.000 ! spec=13C, no=413, id=408, vol=5.660000e+06
assign (segid "   B" and resid  166 and name  HE2) (segid "   B" and resid  147 and name   HG) 2.532 0.801 0.801 weight 1.000 ! spec=13C, no=414, id=409, vol=2.740000e+05
assign (segid "   B" and resid  147 and name HD12) (segid "   B" and resid  148 and name   HN) 3.528 1.556 1.556 weight 1.000 ! spec=13C, no=416, id=411, vol=3.740000e+04
assign (segid "   B" and resid  145 and name   HA) (segid "   B" and resid  148 and name  HA1) 4.036 2.036 2.036 weight 1.000 ! spec=13C, no=419, id=414, vol=1.670000e+04
assign (segid "   B" and resid  163 and name HD12) (segid "   B" and resid  148 and name  HA1) 2.454 0.753 0.753 weight 1.000 ! spec=13C, no=423, id=418, vol=3.300000e+05
assign (segid "   B" and resid  149 and name HG21) (segid "   B" and resid  149 and name   HN) 3.327 1.384 1.384 weight 1.000 ! spec=13C, no=425, id=420, vol=5.320000e+04
assign (segid "   B" and resid  150 and name HG12) (segid "   B" and resid  149 and name   HB) 4.539 2.575 2.575 weight 1.000 ! spec=13C, no=428, id=423, vol=8.250000e+03
assign (segid "   B" and resid  149 and name HG21) (segid "   B" and resid  150 and name   HN) 3.778 1.784 1.784 weight 1.000 ! spec=13C, no=429, id=424, vol=2.480000e+04
assign (segid "   B" and resid  150 and name HG12) (segid "   B" and resid  150 and name   HN) 3.878 1.880 1.880 weight 1.000 ! spec=13C, no=431, id=426, vol=2.120000e+04
assign (segid "   B" and resid  149 and name HG21) (segid "   B" and resid  150 and name   HA) 3.326 1.383 1.383 weight 1.000 ! spec=13C, no=432, id=427, vol=5.330000e+04
assign (segid "   B" and resid  150 and name HG12) (segid "   B" and resid  150 and name   HA) 3.358 1.410 1.410 weight 1.000 ! spec=13C, no=433, id=428, vol=5.030000e+04
assign (segid "   B" and resid  150 and name HG12) (segid "   B" and resid  151 and name   HA) 4.044 2.044 2.044 weight 1.000 ! spec=13C, no=440, id=435, vol=1.650000e+04
assign (segid "   A" and resid   96 and name HG12) (segid "   B" and resid  151 and name  HG2) 2.564 0.822 0.822 weight 1.000 ! spec=13C, no=444, id=439, vol=2.540000e+05
assign (segid "   B" and resid  147 and name HD12) (segid "   B" and resid  151 and name  HG2) 3.718 1.728 1.728 weight 1.000 ! spec=13C, no=445, id=440, vol=2.730000e+04
assign (segid "   B" and resid  153 and name  HB2) (segid "   B" and resid  152 and name   HN) 3.364 1.414 1.414 weight 1.000 ! spec=13C, no=446, id=441, vol=4.980000e+04
assign (segid "   B" and resid  149 and name   HB) (segid "   B" and resid  153 and name   HN) 2.930 1.073 1.073 weight 1.000 ! spec=13C, no=450, id=445, vol=1.140000e+05
assign (segid "   B" and resid  149 and name HG21) (segid "   B" and resid  153 and name   HN) 3.852 1.854 1.854 weight 1.000 ! spec=13C, no=451, id=446, vol=2.210000e+04
assign (segid "   B" and resid  150 and name   HB) (segid "   B" and resid  153 and name   HN) 4.659 2.714 2.714 weight 1.000 ! spec=13C, no=452, id=447, vol=7.050000e+03
assign (segid "   B" and resid  151 and name  HB2) (segid "   B" and resid  153 and name   HN) 4.968 3.085 3.085 weight 1.000 ! spec=13C, no=453, id=448, vol=4.800000e+03
assign (segid "   B" and resid  154 and name HD12) (segid "   B" and resid  153 and name   HA) 3.248 1.318 1.318 weight 1.000 ! spec=13C, no=455, id=450, vol=6.150000e+04
assign (segid "   B" and resid  154 and name  HB2) (segid "   B" and resid  153 and name  HB2) 5.960 4.440 4.440 weight 1.000 ! spec=13C, no=456, id=451, vol=1.610000e+03
assign (segid "   B" and resid  154 and name HD12) (segid "   B" and resid  153 and name  HB2) 3.056 1.168 1.168 weight 1.000 ! spec=13C, no=457, id=452, vol=8.850000e+04
assign (segid "   B" and resid  153 and name   HA) (segid "   B" and resid  154 and name   HG) 3.151 1.241 1.241 weight 1.000 ! spec=13C, no=458, id=453, vol=7.370000e+04
assign (segid "   B" and resid  153 and name  HB2) (segid "   B" and resid  154 and name   HG) 3.089 1.193 1.193 weight 1.000 ! spec=13C, no=459, id=454, vol=8.300000e+04
assign (segid "   B" and resid  154 and name  HB2) (segid "   B" and resid  154 and name   HG) 3.654 1.669 1.669 weight 1.000 ! spec=13C, no=460, id=455, vol=3.030000e+04
assign (segid "   B" and resid  154 and name HD12) (segid "   B" and resid  154 and name   HG) 2.529 0.799 0.799 weight 1.000 ! spec=13C, no=461, id=456, vol=2.760000e+05
assign (segid "   B" and resid  154 and name   HA) (segid "   B" and resid  155 and name  HA1) 2.849 1.014 1.014 weight 1.000 ! spec=13C, no=462, id=457, vol=1.350000e+05
assign (segid "   B" and resid  156 and name   HA) (segid "   B" and resid  155 and name  HA1) 2.999 1.124 1.124 weight 1.000 ! spec=13C, no=465, id=459, vol=9.920000e+04
assign (segid "   B" and resid  151 and name  HB2) (segid "   B" and resid  156 and name  HB2) 2.202 0.606 0.606 weight 1.000 ! spec=13C, no=467, id=461, vol=6.320000e+05
assign (segid "   B" and resid  151 and name  HE2) (segid "   B" and resid  156 and name  HB2) 2.481 0.770 0.770 weight 1.000 ! spec=13C, no=468, id=462, vol=3.090000e+05
assign (segid "   B" and resid  158 and name   HA) (segid "   B" and resid  157 and name   HN) 2.897 1.049 1.049 weight 1.000 ! spec=13C, no=470, id=464, vol=1.220000e+05
assign (segid "   B" and resid  156 and name  HB2) (segid "   B" and resid  157 and name   HA) 7.181 6.446 6.446 weight 1.000 ! spec=13C, no=471, id=465, vol=5.260000e+02
assign (segid "   B" and resid  151 and name  HE2) (segid "   B" and resid  158 and name  HB2) 3.082 1.188 1.188 weight 1.000 ! spec=13C, no=474, id=468, vol=8.410000e+04
assign (segid "   B" and resid  162 and name  HB2) (segid "   B" and resid  158 and name  HB2) 2.705 0.915 0.915 weight 1.000 ! spec=13C, no=475, id=469, vol=1.840000e+05
assign (segid "   B" and resid  166 and name  HE2) (segid "   B" and resid  158 and name  HB2) 2.622 0.859 0.859 weight 1.000 ! spec=13C, no=476, id=470, vol=2.220000e+05
assign (segid "   B" and resid  152 and name   HA) (segid "   B" and resid  158 and name  HD2) 2.752 0.947 0.947 weight 1.000 ! spec=13C, no=477, id=471, vol=1.660000e+05
assign (segid "   B" and resid  152 and name  HB2) (segid "   B" and resid  158 and name  HD2) 3.110 1.209 1.209 weight 1.000 ! spec=13C, no=478, id=472, vol=7.980000e+04
assign (segid "   B" and resid  156 and name   HA) (segid "   B" and resid  158 and name  HD2) 3.035 1.151 1.151 weight 1.000 ! spec=13C, no=479, id=473, vol=9.240000e+04
assign (segid "   B" and resid  156 and name  HB2) (segid "   B" and resid  158 and name  HD2) 3.975 1.975 1.975 weight 1.000 ! spec=13C, no=480, id=474, vol=1.830000e+04
assign (segid "   B" and resid  159 and name HG21) (segid "   B" and resid  159 and name   HN) 4.734 2.801 2.801 weight 1.000 ! spec=13C, no=484, id=478, vol=6.410000e+03
assign (segid "   B" and resid  159 and name HG21) (segid "   B" and resid  160 and name   HN) 3.165 1.252 1.252 weight 1.000 ! spec=13C, no=486, id=480, vol=7.180000e+04
assign (segid "   B" and resid  161 and name  HB2) (segid "   B" and resid  160 and name   HN) 3.450 1.488 1.488 weight 1.000 ! spec=13C, no=487, id=481, vol=4.280000e+04
assign (segid "   B" and resid  163 and name HD12) (segid "   B" and resid  160 and name   HA) 3.265 1.332 1.332 weight 1.000 ! spec=13C, no=489, id=483, vol=5.960000e+04
assign (segid "   B" and resid  163 and name HD12) (segid "   B" and resid  160 and name  HG2) 3.533 1.560 1.560 weight 1.000 ! spec=13C, no=490, id=484, vol=3.710000e+04
assign (segid "   B" and resid  159 and name HG21) (segid "   B" and resid  161 and name   HN) 2.749 0.945 0.945 weight 1.000 ! spec=13C, no=491, id=485, vol=1.670000e+05
assign (segid "   B" and resid  166 and name  HE2) (segid "   B" and resid  162 and name  HB2) 3.604 1.624 1.624 weight 1.000 ! spec=13C, no=493, id=487, vol=3.290000e+04
assign (segid "   B" and resid  161 and name  HB2) (segid "   B" and resid  163 and name   HN) 3.345 1.399 1.399 weight 1.000 ! spec=13C, no=494, id=488, vol=5.150000e+04
assign (segid "   B" and resid  166 and name  HE2) (segid "   B" and resid  163 and name   HN) 4.581 2.623 2.623 weight 1.000 ! spec=13C, no=495, id=489, vol=7.810000e+03
assign (segid "   B" and resid  147 and name HD12) (segid "   B" and resid  163 and name   HA) 4.430 2.453 2.453 weight 1.000 ! spec=13C, no=496, id=490, vol=9.550000e+03
assign (segid "   B" and resid  166 and name  HE2) (segid "   B" and resid  163 and name   HA) 4.197 2.202 2.202 weight 1.000 ! spec=13C, no=497, id=491, vol=1.320000e+04
assign (segid "   B" and resid  163 and name  HB2) (segid "   B" and resid  144 and name   HB) 3.343 1.397 1.397 weight 1.000 ! spec=13C, no=498, id=492, vol=5.170000e+04
assign (segid "   B" and resid  161 and name   HA) (segid "   B" and resid  163 and name  HB2) 3.425 1.466 1.466 weight 1.000 ! spec=13C, no=500, id=494, vol=4.470000e+04
assign (segid "   B" and resid  158 and name  HB2) (segid "   B" and resid  163 and name   HG) 3.196 1.277 1.277 weight 1.000 ! spec=13C, no=505, id=499, vol=6.770000e+04
assign (segid "   B" and resid  158 and name  HG2) (segid "   B" and resid  163 and name   HG) 2.173 0.590 0.590 weight 1.000 ! spec=13C, no=506, id=500, vol=6.860000e+05
assign (segid "   B" and resid  159 and name   HA) (segid "   B" and resid  163 and name   HG) 2.644 0.874 0.874 weight 1.000 ! spec=13C, no=507, id=501, vol=2.110000e+05
assign (segid "   B" and resid  160 and name   HA) (segid "   B" and resid  163 and name   HG) 3.383 1.431 1.431 weight 1.000 ! spec=13C, no=508, id=502, vol=4.810000e+04
assign (segid "   B" and resid  163 and name   HA) (segid "   B" and resid  163 and name   HG) 3.439 1.478 1.478 weight 1.000 ! spec=13C, no=512, id=506, vol=4.360000e+04
assign (segid "   B" and resid  163 and name  HB2) (segid "   B" and resid  163 and name   HG) 4.122 2.124 2.124 weight 1.000 ! spec=13C, no=513, id=507, vol=1.470000e+04
assign (segid "   B" and resid  166 and name  HE2) (segid "   B" and resid  163 and name   HG) 3.604 1.624 1.624 weight 1.000 ! spec=13C, no=515, id=509, vol=3.290000e+04
assign (segid "   B" and resid  144 and name HG21) (segid "   B" and resid  164 and name   HN) 4.082 2.083 2.083 weight 1.000 ! spec=13C, no=516, id=510, vol=1.560000e+04
assign (segid "   B" and resid  144 and name HG21) (segid "   B" and resid  164 and name   HA) 3.900 1.901 1.901 weight 1.000 ! spec=13C, no=517, id=511, vol=2.050000e+04
assign (segid "   B" and resid  167 and name HG12) (segid "   B" and resid  164 and name   HA) 3.388 1.435 1.435 weight 1.000 ! spec=13C, no=519, id=513, vol=4.770000e+04
assign (segid "   B" and resid  144 and name   HB) (segid "   B" and resid  164 and name  HG2) 3.498 1.529 1.529 weight 1.000 ! spec=13C, no=520, id=514, vol=3.940000e+04
assign (segid "   B" and resid  144 and name HG21) (segid "   B" and resid  164 and name  HG2) 2.294 0.658 0.658 weight 1.000 ! spec=13C, no=521, id=515, vol=4.950000e+05
assign (segid "   B" and resid  162 and name  HB2) (segid "   B" and resid  165 and name  HB2) 3.244 1.315 1.315 weight 1.000 ! spec=13C, no=522, id=516, vol=6.190000e+04
assign (segid "   B" and resid  163 and name   HA) (segid "   B" and resid  165 and name  HB2) 3.101 1.202 1.202 weight 1.000 ! spec=13C, no=523, id=517, vol=8.120000e+04
assign (segid "   B" and resid  166 and name   HA) (segid "   B" and resid  165 and name  HB2) 2.996 1.122 1.122 weight 1.000 ! spec=13C, no=524, id=518, vol=9.970000e+04
assign (segid "   B" and resid  166 and name  HE2) (segid "   B" and resid  166 and name   HN) 5.509 3.794 3.794 weight 1.000 ! spec=13C, no=526, id=520, vol=2.580000e+03
assign (segid "   B" and resid  162 and name   HA) (segid "   B" and resid  166 and name  HB2) 3.256 1.326 1.326 weight 1.000 ! spec=13C, no=529, id=523, vol=6.050000e+04
assign (segid "   B" and resid  163 and name  HB2) (segid "   B" and resid  166 and name  HB2) 3.986 1.986 1.986 weight 1.000 ! spec=13C, no=530, id=524, vol=1.800000e+04
assign (segid "   B" and resid  165 and name   HA) (segid "   B" and resid  166 and name  HB2) 3.894 1.895 1.895 weight 1.000 ! spec=13C, no=532, id=526, vol=2.070000e+04
assign (segid "   B" and resid  166 and name  HB2) (segid "   B" and resid  165 and name  HB2) 3.044 1.158 1.158 weight 1.000 ! spec=13C, no=533, id=527, vol=9.070000e+04
assign (segid "   B" and resid  167 and name   HA) (segid "   B" and resid  166 and name  HB2) 3.832 1.835 1.835 weight 1.000 ! spec=13C, no=534, id=528, vol=2.280000e+04
assign (segid "   A" and resid   99 and name  HG2) (segid "   B" and resid  166 and name  HG2) 3.096 1.198 1.198 weight 1.000 ! spec=13C, no=537, id=531, vol=8.190000e+04
assign (segid "   A" and resid  100 and name   HA) (segid "   A" and resid  100 and name  HG2) 3.013 1.135 1.135 weight 1.000 ! spec=13C, no=538, id=532, vol=9.640000e+04
assign (segid "   B" and resid  147 and name HD12) (segid "   B" and resid  167 and name   HN) 3.671 1.684 1.684 weight 1.000 ! spec=13C, no=540, id=534, vol=2.950000e+04
assign (segid "   B" and resid  167 and name HG12) (segid "   B" and resid  167 and name   HA) 2.842 1.009 1.009 weight 1.000 ! spec=13C, no=544, id=538, vol=1.370000e+05
assign (segid "   B" and resid  170 and name HG12) (segid "   B" and resid  167 and name   HA) 2.225 0.619 0.619 weight 1.000 ! spec=13C, no=545, id=539, vol=5.950000e+05
assign (segid "   B" and resid  178 and name HG12) (segid "   B" and resid  167 and name   HA) 3.152 1.242 1.242 weight 1.000 ! spec=13C, no=547, id=541, vol=7.360000e+04
assign (segid "   B" and resid  163 and name   HA) (segid "   B" and resid  167 and name   HB) 3.642 1.658 1.658 weight 1.000 ! spec=13C, no=549, id=543, vol=3.090000e+04
assign (segid "   B" and resid  178 and name   HB) (segid "   B" and resid  167 and name HG12) 4.301 2.312 2.312 weight 1.000 ! spec=13C, no=556, id=549, vol=1.140000e+04
assign (segid "   B" and resid  178 and name HG12) (segid "   B" and resid  167 and name HG12) 1.716 0.368 0.368 weight 1.000 ! spec=13C, no=557, id=550, vol=2.830000e+06
assign (segid "   B" and resid  164 and name  HB2) (segid "   B" and resid  168 and name   HN) 3.513 1.542 1.542 weight 1.000 ! spec=13C, no=558, id=551, vol=3.840000e+04
assign (segid "   B" and resid  164 and name   HA) (segid "   B" and resid  168 and name  HB2) 2.657 0.883 0.883 weight 1.000 ! spec=13C, no=562, id=555, vol=2.050000e+05
assign (segid "   B" and resid  164 and name   HA) (segid "   B" and resid  168 and name HD22) 2.775 0.963 0.963 weight 1.000 ! spec=13C, no=563, id=556, vol=1.580000e+05
assign (segid "   B" and resid  164 and name  HB2) (segid "   B" and resid  168 and name HD22) 3.278 1.344 1.344 weight 1.000 ! spec=13C, no=564, id=557, vol=5.810000e+04
assign (segid "   B" and resid  167 and name   HB) (segid "   B" and resid  169 and name   HN) 3.307 1.367 1.367 weight 1.000 ! spec=13C, no=565, id=558, vol=5.520000e+04
assign (segid "   B" and resid  170 and name   HB) (segid "   B" and resid  169 and name   HN) 3.561 1.585 1.585 weight 1.000 ! spec=13C, no=566, id=559, vol=3.540000e+04
assign (segid "   A" and resid  102 and name   HA) (segid "   B" and resid  169 and name  HG2) 3.694 1.706 1.706 weight 1.000 ! spec=13C, no=571, id=564, vol=2.840000e+04
assign (segid "   B" and resid  169 and name  HG2) (segid "   A" and resid  102 and name  HB2) 4.247 2.254 2.254 weight 1.000 ! spec=13C, no=572, id=565, vol=1.230000e+04
assign (segid "   A" and resid  106 and name  HG2) (segid "   B" and resid  169 and name  HG2) 3.187 1.270 1.270 weight 1.000 ! spec=13C, no=574, id=567, vol=6.880000e+04
assign (segid "   B" and resid  167 and name   HB) (segid "   B" and resid  170 and name   HN) 3.306 1.366 1.366 weight 1.000 ! spec=13C, no=575, id=568, vol=5.530000e+04
assign (segid "   B" and resid  168 and name  HB2) (segid "   B" and resid  170 and name   HN) 3.919 1.920 1.920 weight 1.000 ! spec=13C, no=576, id=569, vol=1.990000e+04
assign (segid "   B" and resid  169 and name  HG2) (segid "   B" and resid  170 and name   HA) 3.679 1.692 1.692 weight 1.000 ! spec=13C, no=579, id=572, vol=2.910000e+04
assign (segid "   B" and resid  170 and name HG12) (segid "   B" and resid  170 and name   HA) 1.911 0.457 0.457 weight 1.000 ! spec=13C, no=580, id=573, vol=1.480000e+06
assign (segid "   B" and resid  167 and name HG12) (segid "   B" and resid  170 and name   HB) 2.557 0.817 0.817 weight 1.000 ! spec=13C, no=581, id=574, vol=2.580000e+05
assign (segid "   B" and resid  178 and name HG12) (segid "   B" and resid  170 and name   HB) 2.646 0.875 0.875 weight 1.000 ! spec=13C, no=583, id=576, vol=2.100000e+05
assign (segid "   B" and resid  167 and name HG12) (segid "   B" and resid  171 and name   HN) 4.333 2.347 2.347 weight 1.000 ! spec=13C, no=585, id=578, vol=1.090000e+04
assign (segid "   B" and resid  170 and name HG12) (segid "   B" and resid  171 and name   HN) 2.174 0.591 0.591 weight 1.000 ! spec=13C, no=587, id=580, vol=6.840000e+05
assign (segid "   B" and resid  178 and name HG12) (segid "   B" and resid  171 and name   HN) 5.152 3.317 3.317 weight 1.000 ! spec=13C, no=588, id=581, vol=3.860000e+03
assign (segid "   B" and resid  167 and name HG12) (segid "   B" and resid  171 and name  HB2) 4.213 2.219 2.219 weight 1.000 ! spec=13C, no=592, id=585, vol=1.290000e+04
assign (segid "   B" and resid  176 and name  HA1) (segid "   B" and resid  171 and name  HB2) 3.381 1.429 1.429 weight 1.000 ! spec=13C, no=593, id=586, vol=4.830000e+04
assign (segid "   B" and resid  178 and name HG12) (segid "   B" and resid  171 and name  HB2) 3.317 1.375 1.375 weight 1.000 ! spec=13C, no=595, id=588, vol=5.420000e+04
assign (segid "   B" and resid  173 and name  HB2) (segid "   B" and resid  172 and name   HN) 2.831 1.002 1.002 weight 1.000 ! spec=13C, no=596, id=589, vol=1.400000e+05
assign (segid "   B" and resid  171 and name  HB2) (segid "   B" and resid  172 and name   HA) 3.714 1.724 1.724 weight 1.000 ! spec=13C, no=597, id=590, vol=2.750000e+04
assign (segid "   B" and resid  171 and name  HB2) (segid "   B" and resid  173 and name   HN) 3.462 1.498 1.498 weight 1.000 ! spec=13C, no=598, id=591, vol=4.190000e+04
assign (segid "   B" and resid  175 and name  HB2) (segid "   B" and resid  175 and name HD21) 4.517 2.551 2.551 weight 1.000 ! spec=13C, no=602, id=594, vol=8.490000e+03
assign (segid "   B" and resid  175 and name   HA) (segid "   B" and resid  175 and name HD22) 3.352 1.404 1.404 weight 1.000 ! spec=13C, no=603, id=595, vol=5.090000e+04
assign (segid "   B" and resid  175 and name  HB2) (segid "   B" and resid  175 and name HD22) 4.409 2.430 2.430 weight 1.000 ! spec=13C, no=604, id=596, vol=9.820000e+03
assign (segid "   B" and resid  177 and name   HA) (segid "   B" and resid  175 and name HD22) 2.223 0.618 0.618 weight 1.000 ! spec=13C, no=605, id=597, vol=5.980000e+05
assign (segid "   B" and resid  177 and name   HB) (segid "   B" and resid  175 and name HD22) 5.777 4.172 4.172 weight 1.000 ! spec=13C, no=606, id=598, vol=1.940000e+03
assign (segid "   B" and resid  177 and name   HB) (segid "   B" and resid  176 and name  HA1) 4.104 2.105 2.105 weight 1.000 ! spec=13C, no=611, id=602, vol=1.510000e+04
assign (segid "   B" and resid  167 and name   HB) (segid "   B" and resid  177 and name   HA) 2.828 1.000 1.000 weight 1.000 ! spec=13C, no=613, id=604, vol=1.410000e+05
assign (segid "   B" and resid  167 and name HG12) (segid "   B" and resid  177 and name   HA) 4.095 2.096 2.096 weight 1.000 ! spec=13C, no=615, id=606, vol=1.530000e+04
assign (segid "   B" and resid  177 and name   HA) (segid "   B" and resid  171 and name  HB2) 5.461 3.728 3.728 weight 1.000 ! spec=13C, no=616, id=607, vol=2.720000e+03
assign (segid "   B" and resid  178 and name HG12) (segid "   B" and resid  177 and name   HA) 2.539 0.806 0.806 weight 1.000 ! spec=13C, no=617, id=608, vol=2.690000e+05
assign (segid "   B" and resid  141 and name HG21) (segid "   B" and resid  177 and name   HB) 3.225 1.300 1.300 weight 1.000 ! spec=13C, no=618, id=609, vol=6.410000e+04
assign (segid "   B" and resid  142 and name   HB) (segid "   B" and resid  177 and name   HB) 2.634 0.867 0.867 weight 1.000 ! spec=13C, no=619, id=610, vol=2.160000e+05
assign (segid "   B" and resid  178 and name   HB) (segid "   B" and resid  177 and name   HB) 3.843 1.846 1.846 weight 1.000 ! spec=13C, no=621, id=612, vol=2.240000e+04
assign (segid "   B" and resid  177 and name  HG1) (segid "   B" and resid  178 and name   HN) 2.957 1.093 1.093 weight 1.000 ! spec=13C, no=624, id=615, vol=1.080000e+05
assign (segid "   B" and resid  142 and name HD12) (segid "   B" and resid  178 and name   HB) 3.387 1.434 1.434 weight 1.000 ! spec=13C, no=630, id=621, vol=4.780000e+04
assign (segid "   B" and resid  179 and name   HA) (segid "   B" and resid  178 and name   HB) 3.482 1.515 1.515 weight 1.000 ! spec=13C, no=633, id=624, vol=4.050000e+04
assign (segid "   B" and resid  170 and name HG12) (segid "   B" and resid  178 and name HG12) 1.639 0.336 0.336 weight 1.000 ! spec=13C, no=640, id=631, vol=3.720000e+06
assign (segid "   B" and resid  178 and name HG12) (segid "   B" and resid  171 and name   HA) 2.802 0.982 0.982 weight 1.000 ! spec=13C, no=642, id=633, vol=1.490000e+05
assign (segid "   B" and resid  178 and name HG12) (segid "   B" and resid  179 and name   HN) 3.640 1.657 1.657 weight 1.000 ! spec=13C, no=648, id=639, vol=3.100000e+04
assign (segid "   B" and resid  140 and name  HA1) (segid "   B" and resid  179 and name   HA) 4.044 2.044 2.044 weight 1.000 ! spec=13C, no=649, id=640, vol=1.650000e+04
assign (segid "   B" and resid  181 and name  HG2) (segid "   B" and resid  179 and name  HB2) 4.295 2.305 2.305 weight 1.000 ! spec=13C, no=651, id=642, vol=1.150000e+04
assign (segid "   B" and resid  140 and name  HA1) (segid "   B" and resid  180 and name   HN) 3.692 1.704 1.704 weight 1.000 ! spec=13C, no=652, id=643, vol=2.850000e+04
assign (segid "   B" and resid  131 and name  HB2) (segid "   B" and resid  180 and name   HA) 3.191 1.273 1.273 weight 1.000 ! spec=13C, no=653, id=644, vol=6.830000e+04
assign (segid "   B" and resid  128 and name   HA) (segid "   B" and resid  180 and name  HD1) 3.198 1.278 1.278 weight 1.000 ! spec=13C, no=654, id=645, vol=6.750000e+04
assign (segid "   B" and resid  131 and name   HA) (segid "   B" and resid  180 and name  HD1) 4.346 2.361 2.361 weight 1.000 ! spec=13C, no=655, id=646, vol=1.070000e+04
assign (segid "   B" and resid  131 and name  HB2) (segid "   B" and resid  180 and name  HD1) 4.137 2.139 2.139 weight 1.000 ! spec=13C, no=656, id=647, vol=1.440000e+04
assign (segid "   B" and resid  181 and name   HA) (segid "   B" and resid  180 and name  HD2) 3.982 1.982 1.982 weight 1.000 ! spec=13C, no=658, id=649, vol=1.810000e+04
assign (segid "   B" and resid  184 and name HD12) (segid "   B" and resid  180 and name  HD2) 3.406 1.450 1.450 weight 1.000 ! spec=13C, no=660, id=651, vol=4.620000e+04
assign (segid "   B" and resid  131 and name   HA) (segid "   B" and resid  180 and name  HE2) 3.789 1.794 1.794 weight 1.000 ! spec=13C, no=662, id=653, vol=2.440000e+04
assign (segid "   B" and resid  124 and name   HA) (segid "   B" and resid  180 and name   HZ) 3.866 1.869 1.869 weight 1.000 ! spec=13C, no=663, id=654, vol=2.160000e+04
assign (segid "   B" and resid  124 and name HD12) (segid "   B" and resid  180 and name   HZ) 3.392 1.438 1.438 weight 1.000 ! spec=13C, no=664, id=655, vol=4.740000e+04
assign (segid "   B" and resid  127 and name  HB2) (segid "   B" and resid  180 and name   HZ) 3.407 1.451 1.451 weight 1.000 ! spec=13C, no=666, id=657, vol=4.610000e+04
assign (segid "   B" and resid  128 and name   HA) (segid "   B" and resid  180 and name   HZ) 3.766 1.773 1.773 weight 1.000 ! spec=13C, no=667, id=658, vol=2.530000e+04
assign (segid "   B" and resid  128 and name  HB2) (segid "   B" and resid  180 and name   HZ) 3.278 1.344 1.344 weight 1.000 ! spec=13C, no=668, id=659, vol=5.810000e+04
assign (segid "   B" and resid  184 and name HD12) (segid "   B" and resid  180 and name   HZ) 2.809 0.986 0.986 weight 1.000 ! spec=13C, no=671, id=662, vol=1.470000e+05
assign (segid "   B" and resid  185 and name  HG1) (segid "   B" and resid  182 and name   HA) 6.459 5.214 5.214 weight 1.000 ! spec=13C, no=674, id=665, vol=9.940000e+02
assign (segid "   B" and resid  171 and name   HA) (segid "   B" and resid  182 and name  HG2) 2.595 0.842 0.842 weight 1.000 ! spec=13C, no=676, id=667, vol=2.360000e+05
assign (segid "   B" and resid  178 and name HG12) (segid "   B" and resid  183 and name   HN) 4.367 2.384 2.384 weight 1.000 ! spec=13C, no=677, id=668, vol=1.040000e+04
assign (segid "   B" and resid  170 and name HG12) (segid "   B" and resid  183 and name   HA) 2.524 0.796 0.796 weight 1.000 ! spec=13C, no=679, id=670, vol=2.790000e+05
assign (segid "   B" and resid  178 and name HG12) (segid "   B" and resid  183 and name   HA) 2.901 1.052 1.052 weight 1.000 ! spec=13C, no=680, id=671, vol=1.210000e+05
assign (segid "   B" and resid  186 and name  HE2) (segid "   B" and resid  183 and name   HA) 3.531 1.559 1.559 weight 1.000 ! spec=13C, no=681, id=672, vol=3.720000e+04
assign (segid "   B" and resid  179 and name   HA) (segid "   B" and resid  183 and name  HB2) 6.145 4.720 4.720 weight 1.000 ! spec=13C, no=683, id=674, vol=1.340000e+03
assign (segid "   B" and resid  182 and name   HA) (segid "   B" and resid  183 and name  HB2) 3.439 1.478 1.478 weight 1.000 ! spec=13C, no=684, id=675, vol=4.360000e+04
assign (segid "   B" and resid  170 and name HG12) (segid "   B" and resid  183 and name  HD1) 2.341 0.685 0.685 weight 1.000 ! spec=13C, no=685, id=676, vol=4.380000e+05
assign (segid "   B" and resid  178 and name HG12) (segid "   B" and resid  183 and name  HD1) 3.349 1.402 1.402 weight 1.000 ! spec=13C, no=686, id=677, vol=5.110000e+04
assign (segid "   B" and resid  186 and name  HE2) (segid "   B" and resid  183 and name  HD1) 3.431 1.472 1.472 weight 1.000 ! spec=13C, no=687, id=678, vol=4.420000e+04
assign (segid "   B" and resid  127 and name   HA) (segid "   B" and resid  183 and name  HD2) 3.183 1.266 1.266 weight 1.000 ! spec=13C, no=688, id=679, vol=6.940000e+04
assign (segid "   B" and resid  127 and name  HB2) (segid "   B" and resid  183 and name  HD2) 4.109 2.110 2.110 weight 1.000 ! spec=13C, no=689, id=680, vol=1.500000e+04
assign (segid "   B" and resid  184 and name   HA) (segid "   B" and resid  183 and name  HD2) 3.849 1.852 1.852 weight 1.000 ! spec=13C, no=690, id=681, vol=2.220000e+04
assign (segid "   B" and resid  184 and name  HB2) (segid "   B" and resid  183 and name  HD2) 3.569 1.592 1.592 weight 1.000 ! spec=13C, no=691, id=682, vol=3.490000e+04
assign (segid "   B" and resid  184 and name HD12) (segid "   B" and resid  183 and name  HD2) 3.741 1.750 1.750 weight 1.000 ! spec=13C, no=692, id=683, vol=2.630000e+04
assign (segid "   B" and resid  186 and name  HE2) (segid "   B" and resid  183 and name  HE2) 4.405 2.425 2.425 weight 1.000 ! spec=13C, no=695, id=686, vol=9.880000e+03
assign (segid "   B" and resid  187 and name  HG2) (segid "   B" and resid  183 and name  HE2) 4.264 2.273 2.273 weight 1.000 ! spec=13C, no=696, id=687, vol=1.200000e+04
assign (segid "   B" and resid  181 and name  HB2) (segid "   B" and resid  184 and name   HN) 3.294 1.356 1.356 weight 1.000 ! spec=13C, no=697, id=688, vol=5.650000e+04
assign (segid "   B" and resid  183 and name   HA) (segid "   B" and resid  184 and name   HG) 4.320 2.333 2.333 weight 1.000 ! spec=13C, no=699, id=690, vol=1.110000e+04
assign (segid "   B" and resid  184 and name HD12) (segid "   B" and resid  184 and name   HG) 2.375 0.705 0.705 weight 1.000 ! spec=13C, no=703, id=694, vol=4.020000e+05
assign (segid "   B" and resid  185 and name  HG1) (segid "   B" and resid  186 and name   HA) 6.459 5.214 5.214 weight 1.000 ! spec=13C, no=706, id=697, vol=9.940000e+02
assign (segid "   B" and resid  189 and name   HA) (segid "   B" and resid  186 and name   HA) 3.595 1.616 1.616 weight 1.000 ! spec=13C, no=707, id=698, vol=3.340000e+04
assign (segid "   B" and resid  185 and name   HA) (segid "   B" and resid  186 and name  HB2) 3.786 1.792 1.792 weight 1.000 ! spec=13C, no=710, id=701, vol=2.450000e+04
assign (segid "   A" and resid   98 and name HG12) (segid "   B" and resid  186 and name  HG2) 2.559 0.818 0.818 weight 1.000 ! spec=13C, no=712, id=703, vol=2.570000e+05
assign (segid "   B" and resid  187 and name   HA) (segid "   B" and resid  186 and name  HG2) 3.773 1.780 1.780 weight 1.000 ! spec=13C, no=713, id=704, vol=2.500000e+04
assign (segid "   B" and resid  187 and name  HB2) (segid "   B" and resid  186 and name  HG2) 3.528 1.556 1.556 weight 1.000 ! spec=13C, no=714, id=705, vol=3.740000e+04
assign (segid "   B" and resid  186 and name  HE2) (segid "   B" and resid  187 and name   HN) 3.900 1.901 1.901 weight 1.000 ! spec=13C, no=716, id=707, vol=2.050000e+04
assign (segid "   B" and resid  188 and name  HB2) (segid "   B" and resid  187 and name   HN) 3.266 1.334 1.334 weight 1.000 ! spec=13C, no=717, id=708, vol=5.940000e+04
assign (segid "   B" and resid  189 and name  HB2) (segid "   B" and resid  187 and name   HA) 2.491 0.776 0.776 weight 1.000 ! spec=13C, no=719, id=710, vol=3.020000e+05
assign (segid "   A" and resid   98 and name HG12) (segid "   B" and resid  187 and name  HG2) 2.141 0.573 0.573 weight 1.000 ! spec=13C, no=720, id=711, vol=7.500000e+05
assign (segid "   B" and resid  186 and name  HE2) (segid "   B" and resid  187 and name  HG2) 3.131 1.225 1.225 weight 1.000 ! spec=13C, no=721, id=712, vol=7.660000e+04
assign (segid "   B" and resid  185 and name   HA) (segid "   B" and resid  189 and name  HB2) 3.507 1.537 1.537 weight 1.000 ! spec=13C, no=724, id=715, vol=3.880000e+04
assign (segid "   B" and resid  188 and name  HB2) (segid "   B" and resid  189 and name  HB2) 3.202 1.282 1.282 weight 1.000 ! spec=13C, no=727, id=718, vol=6.690000e+04
assign (segid "   B" and resid  185 and name  HG1) (segid "   B" and resid  189 and name  HD2) 3.118 1.215 1.215 weight 1.000 ! spec=13C, no=728, id=719, vol=7.850000e+04
assign (segid "   B" and resid  190 and name   HA) (segid "   B" and resid  189 and name  HG2) 3.399 1.444 1.444 weight 1.000 ! spec=13C, no=730, id=721, vol=4.680000e+04
assign (segid "   B" and resid  191 and name  HE2) (segid "   B" and resid  190 and name   HA) 4.181 2.185 2.185 weight 1.000 ! spec=13C, no=732, id=723, vol=1.350000e+04
assign (segid "   B" and resid  193 and name   HA) (segid "   B" and resid  190 and name  HB2) 2.119 0.561 0.561 weight 1.000 ! spec=13C, no=734, id=725, vol=7.960000e+05
assign (segid "   B" and resid  190 and name   HA) (segid "   B" and resid  190 and name  HE2) 3.162 1.250 1.250 weight 1.000 ! spec=13C, no=735, id=726, vol=7.220000e+04
assign (segid "   B" and resid  193 and name   HA) (segid "   B" and resid  190 and name  HE2) 2.552 0.814 0.814 weight 1.000 ! spec=13C, no=737, id=728, vol=2.610000e+05
assign (segid "   B" and resid  192 and name  HB2) (segid "   B" and resid  191 and name  HB2) 2.673 0.893 0.893 weight 1.000 ! spec=13C, no=743, id=734, vol=1.980000e+05
assign (segid "   B" and resid  192 and name  HD2) (segid "   B" and resid  191 and name  HB2) 2.466 0.760 0.760 weight 1.000 ! spec=13C, no=744, id=735, vol=3.210000e+05
assign (segid "   B" and resid  192 and name  HG2) (segid "   B" and resid  191 and name  HB2) 3.121 1.218 1.218 weight 1.000 ! spec=13C, no=745, id=736, vol=7.800000e+04
assign (segid "   B" and resid  190 and name   HA) (segid "   B" and resid  191 and name  HG2) 2.609 0.851 0.851 weight 1.000 ! spec=13C, no=746, id=737, vol=2.290000e+05
assign (segid "   B" and resid  190 and name  HE2) (segid "   B" and resid  192 and name   HN) 4.696 2.756 2.756 weight 1.000 ! spec=13C, no=747, id=738, vol=6.730000e+03
assign (segid "   B" and resid  194 and name  HG1) (segid "   B" and resid  192 and name   HN) 3.891 1.892 1.892 weight 1.000 ! spec=13C, no=748, id=739, vol=2.080000e+04
assign (segid "   B" and resid  193 and name  HB2) (segid "   B" and resid  192 and name  HB2) 4.458 2.484 2.484 weight 1.000 ! spec=13C, no=750, id=741, vol=9.190000e+03
assign (segid "   B" and resid  261 and name   HA) (segid "   B" and resid  192 and name  HB2) 5.224 3.411 3.411 weight 1.000 ! spec=13C, no=751, id=742, vol=3.550000e+03
assign (segid "   B" and resid  261 and name   HB) (segid "   B" and resid  192 and name  HB2) 3.062 1.172 1.172 weight 1.000 ! spec=13C, no=752, id=743, vol=8.760000e+04
assign (segid "   B" and resid  262 and name   HA) (segid "   B" and resid  192 and name  HB2) 3.629 1.646 1.646 weight 1.000 ! spec=13C, no=753, id=744, vol=3.160000e+04
assign (segid "   B" and resid  261 and name   HA) (segid "   B" and resid  192 and name  HD2) 3.248 1.319 1.319 weight 1.000 ! spec=13C, no=754, id=745, vol=6.140000e+04
assign (segid "   B" and resid  262 and name   HA) (segid "   B" and resid  192 and name  HD2) 1.999 0.500 0.500 weight 1.000 ! spec=13C, no=755, id=746, vol=1.130000e+06
assign (segid "   B" and resid  262 and name  HB2) (segid "   B" and resid  192 and name  HD2) 3.172 1.258 1.258 weight 1.000 ! spec=13C, no=756, id=747, vol=7.080000e+04
assign (segid "   B" and resid  261 and name   HB) (segid "   B" and resid  192 and name  HG2) 3.393 1.439 1.439 weight 1.000 ! spec=13C, no=757, id=748, vol=4.730000e+04
assign (segid "   B" and resid  261 and name  HG1) (segid "   B" and resid  192 and name  HG2) 2.124 0.564 0.564 weight 1.000 ! spec=13C, no=758, id=749, vol=7.850000e+05
assign (segid "   B" and resid  190 and name   HA) (segid "   B" and resid  193 and name   HN) 3.429 1.470 1.470 weight 1.000 ! spec=13C, no=759, id=750, vol=4.440000e+04
assign (segid "   B" and resid  190 and name  HD2) (segid "   B" and resid  193 and name   HN) 2.905 1.055 1.055 weight 1.000 ! spec=13C, no=760, id=751, vol=1.200000e+05
assign (segid "   B" and resid  190 and name  HG2) (segid "   B" and resid  193 and name   HN) 2.905 1.055 1.055 weight 1.000 ! spec=13C, no=762, id=753, vol=1.200000e+05
assign (segid "   B" and resid  194 and name   HA) (segid "   B" and resid  193 and name   HN) 3.476 1.510 1.510 weight 1.000 ! spec=13C, no=763, id=754, vol=4.090000e+04
assign (segid "   B" and resid  194 and name   HB) (segid "   B" and resid  193 and name   HN) 4.186 2.191 2.191 weight 1.000 ! spec=13C, no=764, id=755, vol=1.340000e+04
assign (segid "   B" and resid  194 and name  HG1) (segid "   B" and resid  193 and name   HN) 2.922 1.067 1.067 weight 1.000 ! spec=13C, no=765, id=756, vol=1.160000e+05
assign (segid "   B" and resid  193 and name  HB2) (segid "   B" and resid  190 and name  HE2) 2.882 1.038 1.038 weight 1.000 ! spec=13C, no=768, id=759, vol=1.260000e+05
assign (segid "   B" and resid  192 and name   HA) (segid "   B" and resid  193 and name  HB2) 3.257 1.326 1.326 weight 1.000 ! spec=13C, no=770, id=761, vol=6.040000e+04
assign (segid "   B" and resid  192 and name   HA) (segid "   B" and resid  194 and name   HN) 4.704 2.766 2.766 weight 1.000 ! spec=13C, no=772, id=763, vol=6.660000e+03
assign (segid "   B" and resid  194 and name  HG1) (segid "   B" and resid  195 and name   HN) 3.066 1.175 1.175 weight 1.000 ! spec=13C, no=779, id=770, vol=8.690000e+04
assign (segid "   B" and resid  196 and name  HB2) (segid "   B" and resid  195 and name   HA) 5.861 4.294 4.294 weight 1.000 ! spec=13C, no=781, id=772, vol=1.780000e+03
assign (segid "   B" and resid  197 and name  HB2) (segid "   B" and resid  195 and name   HA) 4.465 2.492 2.492 weight 1.000 ! spec=13C, no=783, id=774, vol=9.110000e+03
assign (segid "   B" and resid  195 and name  HB2) (segid "   B" and resid  194 and name   HA) 3.247 1.318 1.318 weight 1.000 ! spec=13C, no=785, id=776, vol=6.160000e+04
assign (segid "   B" and resid  197 and name  HB2) (segid "   B" and resid  196 and name   HN) 3.282 1.347 1.347 weight 1.000 ! spec=13C, no=786, id=777, vol=5.770000e+04
assign (segid "   B" and resid  194 and name  HG1) (segid "   B" and resid  196 and name  HB2) 3.900 1.901 1.901 weight 1.000 ! spec=13C, no=791, id=782, vol=2.050000e+04
assign (segid "   B" and resid  199 and name  HG2) (segid "   B" and resid  196 and name  HB2) 3.971 1.971 1.971 weight 1.000 ! spec=13C, no=793, id=784, vol=1.840000e+04
assign (segid "   B" and resid  195 and name  HB2) (segid "   B" and resid  197 and name   HN) 3.751 1.759 1.759 weight 1.000 ! spec=13C, no=794, id=785, vol=2.590000e+04
assign (segid "   B" and resid  200 and name   HA) (segid "   B" and resid  197 and name   HA) 3.673 1.686 1.686 weight 1.000 ! spec=13C, no=795, id=786, vol=2.940000e+04
assign (segid "   B" and resid  200 and name HD12) (segid "   B" and resid  197 and name   HA) 2.572 0.827 0.827 weight 1.000 ! spec=13C, no=797, id=788, vol=2.490000e+05
assign (segid "   B" and resid  257 and name HG12) (segid "   B" and resid  197 and name   HA) 3.727 1.737 1.737 weight 1.000 ! spec=13C, no=798, id=789, vol=2.690000e+04
assign (segid "   B" and resid  257 and name HG12) (segid "   B" and resid  197 and name  HB2) 2.382 0.709 0.709 weight 1.000 ! spec=13C, no=801, id=792, vol=3.950000e+05
assign (segid "   B" and resid  197 and name  HG2) (segid "   B" and resid  195 and name   HA) 2.494 0.777 0.777 weight 1.000 ! spec=13C, no=805, id=796, vol=3.000000e+05
assign (segid "   B" and resid  195 and name  HB2) (segid "   B" and resid  198 and name   HN) 4.456 2.483 2.483 weight 1.000 ! spec=13C, no=806, id=797, vol=9.210000e+03
assign (segid "   B" and resid  196 and name  HB2) (segid "   B" and resid  198 and name   HN) 3.223 1.298 1.298 weight 1.000 ! spec=13C, no=807, id=798, vol=6.440000e+04
assign (segid "   B" and resid  196 and name  HB2) (segid "   B" and resid  199 and name   HN) 3.823 1.827 1.827 weight 1.000 ! spec=13C, no=809, id=800, vol=2.310000e+04
assign (segid "   B" and resid  197 and name  HB2) (segid "   B" and resid  199 and name   HN) 4.367 2.384 2.384 weight 1.000 ! spec=13C, no=810, id=801, vol=1.040000e+04
assign (segid "   B" and resid  197 and name  HG2) (segid "   B" and resid  199 and name   HN) 3.187 1.269 1.269 weight 1.000 ! spec=13C, no=811, id=802, vol=6.890000e+04
assign (segid "   B" and resid  200 and name   HB) (segid "   B" and resid  199 and name   HN) 3.161 1.249 1.249 weight 1.000 ! spec=13C, no=812, id=803, vol=7.230000e+04
assign (segid "   B" and resid  200 and name HD12) (segid "   B" and resid  199 and name   HN) 3.878 1.880 1.880 weight 1.000 ! spec=13C, no=813, id=804, vol=2.120000e+04
assign (segid "   A" and resid   46 and name HD12) (segid "   B" and resid  199 and name  HG2) 2.166 0.586 0.586 weight 1.000 ! spec=13C, no=814, id=805, vol=6.990000e+05
assign (segid "   A" and resid  105 and name  HG2) (segid "   B" and resid  199 and name  HG2) 2.885 1.041 1.041 weight 1.000 ! spec=13C, no=815, id=806, vol=1.250000e+05
assign (segid "   B" and resid  200 and name   HA) (segid "   B" and resid  199 and name  HG2) 3.313 1.372 1.372 weight 1.000 ! spec=13C, no=817, id=808, vol=5.460000e+04
assign (segid "   B" and resid  196 and name  HB2) (segid "   B" and resid  200 and name   HN) 3.254 1.323 1.323 weight 1.000 ! spec=13C, no=818, id=809, vol=6.080000e+04
assign (segid "   A" and resid   46 and name  HB2) (segid "   A" and resid   46 and name   HA) 4.785 2.862 2.862 weight 1.000 ! spec=13C, no=821, id=812, vol=6.010000e+03
assign (segid "   B" and resid  200 and name HD12) (segid "   B" and resid  200 and name   HA) 2.686 0.902 0.902 weight 1.000 ! spec=13C, no=825, id=816, vol=1.920000e+05
assign (segid "   B" and resid  257 and name HG12) (segid "   B" and resid  200 and name   HB) 2.220 0.616 0.616 weight 1.000 ! spec=13C, no=830, id=821, vol=6.030000e+05
assign (segid "   A" and resid   50 and name  HB2) (segid "   B" and resid  200 and name HD12) 2.298 0.660 0.660 weight 1.000 ! spec=13C, no=833, id=824, vol=4.900000e+05
assign (segid "   B" and resid  200 and name HD12) (segid "   B" and resid  201 and name   HN) 2.901 1.052 1.052 weight 1.000 ! spec=13C, no=837, id=828, vol=1.210000e+05
assign (segid "   B" and resid  257 and name HG12) (segid "   B" and resid  201 and name   HN) 2.726 0.929 0.929 weight 1.000 ! spec=13C, no=838, id=829, vol=1.760000e+05
assign (segid "   B" and resid  257 and name HG12) (segid "   B" and resid  201 and name   HA) 3.466 1.502 1.502 weight 1.000 ! spec=13C, no=841, id=832, vol=4.160000e+04
assign (segid "   B" and resid  257 and name HG12) (segid "   B" and resid  201 and name  HB2) 2.197 0.604 0.604 weight 1.000 ! spec=13C, no=843, id=834, vol=6.410000e+05
assign (segid "   B" and resid  202 and name  HB2) (segid "   B" and resid  201 and name  HG2) 3.022 1.142 1.142 weight 1.000 ! spec=13C, no=844, id=835, vol=9.470000e+04
assign (segid "   B" and resid  202 and name  HG2) (segid "   B" and resid  201 and name  HG2) 2.825 0.997 0.997 weight 1.000 ! spec=13C, no=845, id=836, vol=1.420000e+05
assign (segid "   B" and resid  205 and name  HD2) (segid "   B" and resid  201 and name  HG2) 3.536 1.563 1.563 weight 1.000 ! spec=13C, no=846, id=837, vol=3.690000e+04
assign (segid "   B" and resid  205 and name  HG2) (segid "   B" and resid  201 and name  HG2) 2.102 0.552 0.552 weight 1.000 ! spec=13C, no=847, id=838, vol=8.370000e+05
assign (segid "   B" and resid  201 and name  HG2) (segid "   B" and resid  202 and name   HA) 2.943 1.083 1.083 weight 1.000 ! spec=13C, no=850, id=841, vol=1.110000e+05
assign (segid "   B" and resid  205 and name  HD2) (segid "   B" and resid  202 and name   HA) 3.455 1.492 1.492 weight 1.000 ! spec=13C, no=851, id=842, vol=4.240000e+04
assign (segid "   B" and resid  205 and name   HA) (segid "   B" and resid  202 and name  HG2) 4.367 2.384 2.384 weight 1.000 ! spec=13C, no=853, id=844, vol=1.040000e+04
assign (segid "   B" and resid  205 and name  HB2) (segid "   B" and resid  202 and name  HG2) 2.379 0.707 0.707 weight 1.000 ! spec=13C, no=854, id=845, vol=3.980000e+05
assign (segid "   B" and resid  205 and name  HD2) (segid "   B" and resid  202 and name  HG2) 3.771 1.777 1.777 weight 1.000 ! spec=13C, no=855, id=846, vol=2.510000e+04
assign (segid "   B" and resid  205 and name  HG2) (segid "   B" and resid  202 and name  HG2) 2.389 0.713 0.713 weight 1.000 ! spec=13C, no=856, id=847, vol=3.880000e+05
assign (segid "   B" and resid  206 and name   HA) (segid "   B" and resid  203 and name   HA) 3.869 1.871 1.871 weight 1.000 ! spec=13C, no=859, id=850, vol=2.150000e+04
assign (segid "   B" and resid  206 and name HG12) (segid "   B" and resid  203 and name   HA) 3.081 1.186 1.186 weight 1.000 ! spec=13C, no=860, id=851, vol=8.440000e+04
assign (segid "   B" and resid  201 and name  HB2) (segid "   B" and resid  204 and name   HN) 4.146 2.149 2.149 weight 1.000 ! spec=13C, no=861, id=852, vol=1.420000e+04
assign (segid "   B" and resid  202 and name  HB2) (segid "   B" and resid  204 and name   HN) 3.007 1.131 1.131 weight 1.000 ! spec=13C, no=862, id=853, vol=9.750000e+04
assign (segid "   B" and resid  215 and name   HB) (segid "   B" and resid  204 and name  HD1) 4.176 2.180 2.180 weight 1.000 ! spec=13C, no=867, id=858, vol=1.360000e+04
assign (segid "   B" and resid  200 and name   HA) (segid "   B" and resid  204 and name  HD2) 3.538 1.564 1.564 weight 1.000 ! spec=13C, no=869, id=860, vol=3.680000e+04
assign (segid "   B" and resid  200 and name   HB) (segid "   B" and resid  204 and name  HD2) 3.321 1.378 1.378 weight 1.000 ! spec=13C, no=870, id=861, vol=5.380000e+04
assign (segid "   B" and resid  201 and name   HA) (segid "   B" and resid  204 and name  HD2) 3.433 1.473 1.473 weight 1.000 ! spec=13C, no=872, id=863, vol=4.410000e+04
assign (segid "   B" and resid  201 and name  HB2) (segid "   B" and resid  204 and name  HD2) 3.852 1.854 1.854 weight 1.000 ! spec=13C, no=873, id=864, vol=2.210000e+04
assign (segid "   B" and resid  257 and name   HB) (segid "   B" and resid  204 and name  HD2) 7.218 6.513 6.513 weight 1.000 ! spec=13C, no=874, id=865, vol=5.100000e+02
assign (segid "   B" and resid  257 and name HG12) (segid "   B" and resid  204 and name  HD2) 3.489 1.522 1.522 weight 1.000 ! spec=13C, no=875, id=866, vol=4.000000e+04
assign (segid "   A" and resid   47 and name HG12) (segid "   B" and resid  204 and name  HE2) 2.957 1.093 1.093 weight 1.000 ! spec=13C, no=878, id=869, vol=1.080000e+05
assign (segid "   B" and resid  200 and name   HB) (segid "   B" and resid  204 and name  HE2) 4.197 2.202 2.202 weight 1.000 ! spec=13C, no=880, id=871, vol=1.320000e+04
assign (segid "   B" and resid  239 and name  HE2) (segid "   B" and resid  204 and name  HE2) 3.664 1.678 1.678 weight 1.000 ! spec=13C, no=883, id=874, vol=2.980000e+04
assign (segid "   B" and resid  256 and name  HB2) (segid "   B" and resid  204 and name  HE2) 3.933 1.933 1.933 weight 1.000 ! spec=13C, no=884, id=875, vol=1.950000e+04
assign (segid "   B" and resid  257 and name   HA) (segid "   B" and resid  204 and name  HE2) 4.723 2.788 2.788 weight 1.000 ! spec=13C, no=885, id=876, vol=6.500000e+03
assign (segid "   B" and resid  257 and name   HB) (segid "   B" and resid  204 and name  HE2) 2.971 1.103 1.103 weight 1.000 ! spec=13C, no=886, id=877, vol=1.050000e+05
assign (segid "   B" and resid  257 and name HG12) (segid "   B" and resid  204 and name  HE2) 3.014 1.136 1.136 weight 1.000 ! spec=13C, no=887, id=878, vol=9.620000e+04
assign (segid "   B" and resid  260 and name  HE2) (segid "   B" and resid  204 and name  HE2) 3.608 1.627 1.627 weight 1.000 ! spec=13C, no=888, id=879, vol=3.270000e+04
assign (segid "   B" and resid  202 and name  HB2) (segid "   B" and resid  205 and name   HN) 4.346 2.361 2.361 weight 1.000 ! spec=13C, no=889, id=880, vol=1.070000e+04
assign (segid "   B" and resid  201 and name  HB2) (segid "   B" and resid  205 and name   HE) 3.060 1.170 1.170 weight 1.000 ! spec=13C, no=895, id=886, vol=8.790000e+04
assign (segid "   B" and resid  201 and name  HD2) (segid "   B" and resid  205 and name   HE) 2.027 0.514 0.514 weight 1.000 ! spec=13C, no=896, id=887, vol=1.040000e+06
assign (segid "   B" and resid  201 and name  HG2) (segid "   B" and resid  205 and name   HE) 4.151 2.154 2.154 weight 1.000 ! spec=13C, no=897, id=888, vol=1.410000e+04
assign (segid "   B" and resid  202 and name   HA) (segid "   B" and resid  205 and name   HE) 4.808 2.890 2.890 weight 1.000 ! spec=13C, no=898, id=889, vol=5.840000e+03
assign (segid "   B" and resid  202 and name  HB2) (segid "   B" and resid  205 and name   HE) 2.917 1.064 1.064 weight 1.000 ! spec=13C, no=899, id=890, vol=1.170000e+05
assign (segid "   B" and resid  202 and name  HG2) (segid "   B" and resid  205 and name   HE) 4.530 2.565 2.565 weight 1.000 ! spec=13C, no=900, id=891, vol=8.350000e+03
assign (segid "   B" and resid  205 and name  HB2) (segid "   B" and resid  205 and name   HE) 3.072 1.180 1.180 weight 1.000 ! spec=13C, no=901, id=892, vol=8.580000e+04
assign (segid "   B" and resid  205 and name  HD2) (segid "   B" and resid  205 and name   HE) 3.412 1.455 1.455 weight 1.000 ! spec=13C, no=902, id=893, vol=4.570000e+04
assign (segid "   B" and resid  201 and name   HA) (segid "   B" and resid  205 and name  HG2) 3.501 1.532 1.532 weight 1.000 ! spec=13C, no=903, id=894, vol=3.920000e+04
assign (segid "   B" and resid  204 and name   HA) (segid "   B" and resid  205 and name  HG2) 3.089 1.193 1.193 weight 1.000 ! spec=13C, no=909, id=900, vol=8.300000e+04
assign (segid "   B" and resid  205 and name  HG2) (segid "   B" and resid  204 and name  HB2) 4.511 2.544 2.544 weight 1.000 ! spec=13C, no=910, id=901, vol=8.560000e+03
assign (segid "   B" and resid  206 and name HG12) (segid "   B" and resid  206 and name   HA) 2.242 0.628 0.628 weight 1.000 ! spec=13C, no=914, id=905, vol=5.680000e+05
assign (segid "   A" and resid   43 and name   HA) (segid "   B" and resid  206 and name   HB) 6.380 5.088 5.088 weight 1.000 ! spec=13C, no=916, id=907, vol=1.070000e+03
assign (segid "   B" and resid  206 and name HG12) (segid "   B" and resid  206 and name   HB) 1.744 0.380 0.380 weight 1.000 ! spec=13C, no=917, id=908, vol=2.560000e+06
assign (segid "   B" and resid  206 and name   HA) (segid "   B" and resid  207 and name  HB2) 4.065 2.065 2.065 weight 1.000 ! spec=13C, no=921, id=912, vol=1.600000e+04
assign (segid "   B" and resid  215 and name   HB) (segid "   B" and resid  207 and name  HB2) 4.235 2.242 2.242 weight 1.000 ! spec=13C, no=922, id=913, vol=1.250000e+04
assign (segid "   B" and resid  215 and name HG12) (segid "   B" and resid  207 and name  HB2) 2.852 1.017 1.017 weight 1.000 ! spec=13C, no=923, id=914, vol=1.340000e+05
assign (segid "   B" and resid  223 and name HG12) (segid "   B" and resid  207 and name  HD1) 4.224 2.230 2.230 weight 1.000 ! spec=13C, no=924, id=915, vol=1.270000e+04
assign (segid "   A" and resid   43 and name  HB2) (segid "   B" and resid  207 and name  HD2) 3.365 1.415 1.415 weight 1.000 ! spec=13C, no=925, id=916, vol=4.970000e+04
assign (segid "   B" and resid  206 and name   HA) (segid "   B" and resid  207 and name  HD2) 3.953 1.954 1.954 weight 1.000 ! spec=13C, no=926, id=917, vol=1.890000e+04
assign (segid "   B" and resid  206 and name   HB) (segid "   B" and resid  207 and name  HD2) 3.595 1.616 1.616 weight 1.000 ! spec=13C, no=927, id=918, vol=3.340000e+04
assign (segid "   A" and resid   40 and name   HA) (segid "   B" and resid  207 and name  HE2) 3.829 1.832 1.832 weight 1.000 ! spec=13C, no=928, id=919, vol=2.290000e+04
assign (segid "   A" and resid   40 and name  HB2) (segid "   B" and resid  207 and name  HE2) 3.198 1.279 1.279 weight 1.000 ! spec=13C, no=929, id=920, vol=6.740000e+04
assign (segid "   A" and resid   47 and name HG12) (segid "   B" and resid  207 and name  HE2) 2.634 0.867 0.867 weight 1.000 ! spec=13C, no=930, id=921, vol=2.160000e+05
assign (segid "   B" and resid  203 and name   HA) (segid "   B" and resid  207 and name  HE2) 4.780 2.856 2.856 weight 1.000 ! spec=13C, no=931, id=922, vol=6.050000e+03
assign (segid "   B" and resid  203 and name  HB2) (segid "   B" and resid  207 and name  HE2) 2.523 0.795 0.795 weight 1.000 ! spec=13C, no=932, id=923, vol=2.800000e+05
assign (segid "   B" and resid  204 and name   HA) (segid "   B" and resid  207 and name  HE2) 3.092 1.195 1.195 weight 1.000 ! spec=13C, no=933, id=924, vol=8.250000e+04
assign (segid "   B" and resid  206 and name   HB) (segid "   B" and resid  207 and name  HE2) 4.891 2.990 2.990 weight 1.000 ! spec=13C, no=934, id=925, vol=5.270000e+03
assign (segid "   B" and resid  223 and name HG12) (segid "   B" and resid  207 and name  HE2) 3.761 1.768 1.768 weight 1.000 ! spec=13C, no=935, id=926, vol=2.550000e+04
assign (segid "   A" and resid   40 and name   HA) (segid "   B" and resid  207 and name   HZ) 4.529 2.564 2.564 weight 1.000 ! spec=13C, no=938, id=929, vol=8.360000e+03
assign (segid "   A" and resid   40 and name  HB2) (segid "   B" and resid  207 and name   HZ) 3.933 1.933 1.933 weight 1.000 ! spec=13C, no=939, id=930, vol=1.950000e+04
assign (segid "   A" and resid   43 and name   HA) (segid "   B" and resid  207 and name   HZ) 3.585 1.606 1.606 weight 1.000 ! spec=13C, no=940, id=931, vol=3.400000e+04
assign (segid "   A" and resid   43 and name  HB2) (segid "   B" and resid  207 and name   HZ) 3.640 1.657 1.657 weight 1.000 ! spec=13C, no=941, id=932, vol=3.100000e+04
assign (segid "   A" and resid   44 and name   HA) (segid "   B" and resid  207 and name   HZ) 3.030 1.147 1.147 weight 1.000 ! spec=13C, no=942, id=933, vol=9.330000e+04
assign (segid "   A" and resid   44 and name  HB2) (segid "   B" and resid  207 and name   HZ) 2.747 0.943 0.943 weight 1.000 ! spec=13C, no=943, id=934, vol=1.680000e+05
assign (segid "   B" and resid  227 and name HD12) (segid "   B" and resid  207 and name   HZ) 4.512 2.545 2.545 weight 1.000 ! spec=13C, no=944, id=935, vol=8.550000e+03
assign (segid "   B" and resid  205 and name  HB2) (segid "   B" and resid  208 and name   HN) 3.072 1.180 1.180 weight 1.000 ! spec=13C, no=945, id=936, vol=8.580000e+04
assign (segid "   B" and resid  209 and name  HG2) (segid "   B" and resid  208 and name   HA) 3.646 1.662 1.662 weight 1.000 ! spec=13C, no=946, id=937, vol=3.070000e+04
assign (segid "   B" and resid  215 and name HG12) (segid "   B" and resid  208 and name   HA) 4.161 2.164 2.164 weight 1.000 ! spec=13C, no=948, id=939, vol=1.390000e+04
assign (segid "   B" and resid  208 and name   HA) (segid "   B" and resid  209 and name  HB2) 2.491 0.776 0.776 weight 1.000 ! spec=13C, no=951, id=942, vol=3.020000e+05
assign (segid "   B" and resid  210 and name  HB2) (segid "   B" and resid  209 and name  HB2) 4.065 2.065 2.065 weight 1.000 ! spec=13C, no=952, id=943, vol=1.600000e+04
assign (segid "   B" and resid  210 and name  HB2) (segid "   B" and resid  212 and name HD21) 3.960 1.960 1.960 weight 1.000 ! spec=13C, no=958, id=949, vol=1.870000e+04
assign (segid "   B" and resid  212 and name  HB2) (segid "   B" and resid  212 and name HD21) 3.013 1.135 1.135 weight 1.000 ! spec=13C, no=959, id=950, vol=9.640000e+04
assign (segid "   B" and resid  212 and name   HA) (segid "   B" and resid  212 and name HD22) 2.458 0.755 0.755 weight 1.000 ! spec=13C, no=960, id=951, vol=3.270000e+05
assign (segid "   B" and resid  214 and name   HA) (segid "   B" and resid  213 and name  HA1) 3.309 1.368 1.368 weight 1.000 ! spec=13C, no=963, id=953, vol=5.500000e+04
assign (segid "   B" and resid  215 and name HG12) (segid "   B" and resid  214 and name   HA) 3.434 1.474 1.474 weight 1.000 ! spec=13C, no=964, id=954, vol=4.400000e+04
assign (segid "   B" and resid  213 and name  HA1) (segid "   B" and resid  214 and name  HB2) 4.052 2.052 2.052 weight 1.000 ! spec=13C, no=967, id=957, vol=1.630000e+04
assign (segid "   B" and resid  251 and name   HA) (segid "   B" and resid  214 and name  HD1) 3.943 1.943 1.943 weight 1.000 ! spec=13C, no=969, id=959, vol=1.920000e+04
assign (segid "   B" and resid  251 and name   HB) (segid "   B" and resid  214 and name  HD1) 4.065 2.065 2.065 weight 1.000 ! spec=13C, no=970, id=960, vol=1.600000e+04
assign (segid "   B" and resid  252 and name   HA) (segid "   B" and resid  214 and name  HD1) 3.328 1.384 1.384 weight 1.000 ! spec=13C, no=971, id=961, vol=5.310000e+04
assign (segid "   B" and resid  245 and name   HB) (segid "   B" and resid  214 and name  HE2) 4.653 2.706 2.706 weight 1.000 ! spec=13C, no=973, id=963, vol=7.110000e+03
assign (segid "   B" and resid  250 and name  HB2) (segid "   B" and resid  214 and name  HE2) 4.028 2.028 2.028 weight 1.000 ! spec=13C, no=976, id=966, vol=1.690000e+04
assign (segid "   B" and resid  250 and name  HG2) (segid "   B" and resid  214 and name  HE2) 4.008 2.008 2.008 weight 1.000 ! spec=13C, no=977, id=967, vol=1.740000e+04
assign (segid "   B" and resid  251 and name HG12) (segid "   B" and resid  215 and name   HN) 3.574 1.597 1.597 weight 1.000 ! spec=13C, no=982, id=972, vol=3.460000e+04
assign (segid "   B" and resid  215 and name   HA) (segid "   B" and resid  208 and name   HA) 1.788 0.399 0.399 weight 1.000 ! spec=13C, no=983, id=973, vol=2.210000e+06
assign (segid "   B" and resid  215 and name   HA) (segid "   B" and resid  208 and name  HB2) 3.013 1.135 1.135 weight 1.000 ! spec=13C, no=984, id=974, vol=9.640000e+04
assign (segid "   B" and resid  215 and name HG12) (segid "   B" and resid  215 and name   HB) 3.215 1.292 1.292 weight 1.000 ! spec=13C, no=985, id=975, vol=6.530000e+04
assign (segid "   B" and resid  253 and name  HB2) (segid "   B" and resid  215 and name   HB) 2.990 1.117 1.117 weight 1.000 ! spec=13C, no=986, id=976, vol=1.010000e+05
assign (segid "   B" and resid  215 and name   HA) (segid "   B" and resid  215 and name HG12) 2.588 0.837 0.837 weight 1.000 ! spec=13C, no=987, id=977, vol=2.400000e+05
assign (segid "   B" and resid  216 and name   HA) (segid "   B" and resid  215 and name HG12) 2.934 1.076 1.076 weight 1.000 ! spec=13C, no=989, id=979, vol=1.130000e+05
assign (segid "   B" and resid  216 and name  HB2) (segid "   B" and resid  215 and name HG12) 2.930 1.073 1.073 weight 1.000 ! spec=13C, no=990, id=980, vol=1.140000e+05
assign (segid "   B" and resid  220 and name   HA) (segid "   B" and resid  215 and name HG12) 3.026 1.145 1.145 weight 1.000 ! spec=13C, no=994, id=984, vol=9.390000e+04
assign (segid "   B" and resid  251 and name HG12) (segid "   B" and resid  217 and name   HN) 3.766 1.773 1.773 weight 1.000 ! spec=13C, no=999, id=989, vol=2.530000e+04
assign (segid "   B" and resid  251 and name HG12) (segid "   B" and resid  217 and name   HA) 3.768 1.775 1.775 weight 1.000 ! spec=13C, no=1001, id=991, vol=2.520000e+04
assign (segid "   B" and resid  219 and name  HB2) (segid "   B" and resid  215 and name HG12) 2.458 0.755 0.755 weight 1.000 ! spec=13C, no=1004, id=994, vol=3.270000e+05
assign (segid "   B" and resid  218 and name   HA) (segid "   B" and resid  219 and name  HB2) 3.297 1.359 1.359 weight 1.000 ! spec=13C, no=1005, id=995, vol=5.620000e+04
assign (segid "   B" and resid  207 and name  HB2) (segid "   B" and resid  219 and name  HG2) 2.728 0.930 0.930 weight 1.000 ! spec=13C, no=1006, id=996, vol=1.750000e+05
assign (segid "   B" and resid  219 and name  HG2) (segid "   B" and resid  215 and name HG12) 2.966 1.100 1.100 weight 1.000 ! spec=13C, no=1007, id=997, vol=1.060000e+05
assign (segid "   B" and resid  223 and name   HB) (segid "   B" and resid  219 and name  HG2) 3.781 1.787 1.787 weight 1.000 ! spec=13C, no=1009, id=999, vol=2.470000e+04
assign (segid "   B" and resid  223 and name HG12) (segid "   B" and resid  219 and name  HG2) 3.846 1.849 1.849 weight 1.000 ! spec=13C, no=1010, id=1000, vol=2.230000e+04
assign (segid "   B" and resid  220 and name   HA) (segid "   B" and resid  219 and name  HG2) 3.098 1.200 1.200 weight 1.000 ! spec=13C, no=1014, id=1004, vol=8.160000e+04
assign (segid "   B" and resid  223 and name HG12) (segid "   B" and resid  220 and name   HA) 4.420 2.443 2.443 weight 1.000 ! spec=13C, no=1015, id=1005, vol=9.670000e+03
assign (segid "   B" and resid  220 and name  HB2) (segid "   B" and resid  215 and name HG12) 2.116 0.560 0.560 weight 1.000 ! spec=13C, no=1018, id=1008, vol=8.030000e+05
assign (segid "   B" and resid  225 and name  HG1) (segid "   B" and resid  221 and name   HA) 3.409 1.452 1.452 weight 1.000 ! spec=13C, no=1027, id=1017, vol=4.600000e+04
assign (segid "   B" and resid  236 and name   HB) (segid "   B" and resid  221 and name   HA) 2.863 1.025 1.025 weight 1.000 ! spec=13C, no=1028, id=1018, vol=1.310000e+05
assign (segid "   B" and resid  236 and name HG12) (segid "   B" and resid  221 and name   HA) 3.131 1.225 1.225 weight 1.000 ! spec=13C, no=1029, id=1019, vol=7.660000e+04
assign (segid "   B" and resid  218 and name  HB2) (segid "   B" and resid  221 and name  HB2) 3.160 1.249 1.249 weight 1.000 ! spec=13C, no=1031, id=1021, vol=7.240000e+04
assign (segid "   B" and resid  236 and name   HB) (segid "   B" and resid  221 and name  HD2) 3.457 1.493 1.493 weight 1.000 ! spec=13C, no=1032, id=1022, vol=4.230000e+04
assign (segid "   B" and resid  236 and name HG12) (segid "   B" and resid  221 and name  HD2) 3.810 1.814 1.814 weight 1.000 ! spec=13C, no=1033, id=1023, vol=2.360000e+04
assign (segid "   B" and resid  240 and name HG12) (segid "   B" and resid  221 and name  HD2) 3.174 1.259 1.259 weight 1.000 ! spec=13C, no=1034, id=1024, vol=7.060000e+04
assign (segid "   B" and resid  221 and name   HA) (segid "   B" and resid  221 and name   HE) 3.940 1.940 1.940 weight 1.000 ! spec=13C, no=1035, id=1025, vol=1.930000e+04
assign (segid "   B" and resid  221 and name  HB2) (segid "   B" and resid  221 and name   HE) 3.354 1.406 1.406 weight 1.000 ! spec=13C, no=1036, id=1026, vol=5.070000e+04
assign (segid "   B" and resid  221 and name  HG2) (segid "   B" and resid  221 and name   HE) 6.044 4.566 4.566 weight 1.000 ! spec=13C, no=1037, id=1027, vol=1.480000e+03
assign (segid "   B" and resid  225 and name  HG1) (segid "   B" and resid  221 and name   HE) 2.739 0.938 0.938 weight 1.000 ! spec=13C, no=1038, id=1028, vol=1.710000e+05
assign (segid "   B" and resid  233 and name   HA) (segid "   B" and resid  221 and name   HE) 2.889 1.044 1.044 weight 1.000 ! spec=13C, no=1039, id=1029, vol=1.240000e+05
assign (segid "   B" and resid  233 and name  HB2) (segid "   B" and resid  221 and name   HE) 3.483 1.517 1.517 weight 1.000 ! spec=13C, no=1040, id=1030, vol=4.040000e+04
assign (segid "   B" and resid  236 and name   HB) (segid "   B" and resid  221 and name   HE) 3.010 1.132 1.132 weight 1.000 ! spec=13C, no=1041, id=1031, vol=9.710000e+04
assign (segid "   B" and resid  236 and name HG12) (segid "   B" and resid  221 and name   HE) 3.744 1.752 1.752 weight 1.000 ! spec=13C, no=1042, id=1032, vol=2.620000e+04
assign (segid "   B" and resid  219 and name  HB2) (segid "   B" and resid  222 and name   HN) 4.374 2.392 2.392 weight 1.000 ! spec=13C, no=1043, id=1033, vol=1.030000e+04
assign (segid "   B" and resid  219 and name   HA) (segid "   B" and resid  222 and name  HD2) 2.578 0.830 0.830 weight 1.000 ! spec=13C, no=1045, id=1035, vol=2.460000e+05
assign (segid "   B" and resid  219 and name  HG2) (segid "   B" and resid  222 and name  HD2) 2.766 0.957 0.957 weight 1.000 ! spec=13C, no=1046, id=1036, vol=1.610000e+05
assign (segid "   B" and resid  223 and name HG12) (segid "   B" and resid  222 and name  HD2) 4.077 2.078 2.078 weight 1.000 ! spec=13C, no=1047, id=1037, vol=1.570000e+04
assign (segid "   B" and resid  219 and name  HG2) (segid "   B" and resid  223 and name   HN) 2.917 1.064 1.064 weight 1.000 ! spec=13C, no=1048, id=1038, vol=1.170000e+05
assign (segid "   B" and resid  223 and name HG12) (segid "   B" and resid  223 and name   HA) 4.252 2.260 2.260 weight 1.000 ! spec=13C, no=1051, id=1041, vol=1.220000e+04
assign (segid "   A" and resid   44 and name   HA) (segid "   B" and resid  223 and name   HB) 3.350 1.403 1.403 weight 1.000 ! spec=13C, no=1053, id=1043, vol=5.100000e+04
assign (segid "   B" and resid  223 and name HG12) (segid "   B" and resid  223 and name   HB) 4.282 2.292 2.292 weight 1.000 ! spec=13C, no=1054, id=1044, vol=1.170000e+04
assign (segid "   B" and resid  224 and name   HA) (segid "   B" and resid  223 and name   HB) 2.952 1.089 1.089 weight 1.000 ! spec=13C, no=1056, id=1046, vol=1.090000e+05
assign (segid "   B" and resid  223 and name HG12) (segid "   B" and resid  224 and name   HN) 3.588 1.609 1.609 weight 1.000 ! spec=13C, no=1059, id=1049, vol=3.380000e+04
assign (segid "   B" and resid  220 and name   HA) (segid "   B" and resid  224 and name  HB2) 4.616 2.663 2.663 weight 1.000 ! spec=13C, no=1064, id=1054, vol=7.460000e+03
assign (segid "   B" and resid  224 and name  HB2) (segid "   B" and resid  220 and name   HG) 2.076 0.539 0.539 weight 1.000 ! spec=13C, no=1066, id=1056, vol=9.010000e+05
assign (segid "   B" and resid  223 and name HG12) (segid "   B" and resid  224 and name  HB2) 4.282 2.292 2.292 weight 1.000 ! spec=13C, no=1067, id=1057, vol=1.170000e+04
assign (segid "   B" and resid  225 and name  HG1) (segid "   B" and resid  224 and name  HB2) 2.152 0.579 0.579 weight 1.000 ! spec=13C, no=1068, id=1058, vol=7.260000e+05
assign (segid "   B" and resid  236 and name HG12) (segid "   B" and resid  224 and name  HB2) 2.247 0.631 0.631 weight 1.000 ! spec=13C, no=1069, id=1059, vol=5.600000e+05
assign (segid "   B" and resid  223 and name HG12) (segid "   B" and resid  224 and name  HG2) 4.684 2.743 2.743 weight 1.000 ! spec=13C, no=1072, id=1062, vol=6.830000e+03
assign (segid "   B" and resid  236 and name HG12) (segid "   B" and resid  225 and name   HN) 2.731 0.932 0.932 weight 1.000 ! spec=13C, no=1074, id=1064, vol=1.740000e+05
assign (segid "   B" and resid  236 and name HG12) (segid "   B" and resid  225 and name   HA) 4.404 2.424 2.424 weight 1.000 ! spec=13C, no=1076, id=1066, vol=9.890000e+03
assign (segid "   B" and resid  222 and name  HB2) (segid "   B" and resid  226 and name   HN) 4.056 2.057 2.057 weight 1.000 ! spec=13C, no=1078, id=1068, vol=1.620000e+04
assign (segid "   B" and resid  225 and name  HG1) (segid "   B" and resid  226 and name   HN) 2.677 0.896 0.896 weight 1.000 ! spec=13C, no=1079, id=1069, vol=1.960000e+05
assign (segid "   B" and resid  227 and name  HB2) (segid "   B" and resid  226 and name  HB2) 3.869 1.871 1.871 weight 1.000 ! spec=13C, no=1082, id=1072, vol=2.150000e+04
assign (segid "   B" and resid  227 and name   HG) (segid "   B" and resid  226 and name  HB2) 3.595 1.616 1.616 weight 1.000 ! spec=13C, no=1083, id=1073, vol=3.340000e+04
assign (segid "   B" and resid  222 and name   HA) (segid "   B" and resid  226 and name HD21) 4.161 2.164 2.164 weight 1.000 ! spec=13C, no=1084, id=1074, vol=1.390000e+04
assign (segid "   B" and resid  222 and name  HB2) (segid "   B" and resid  226 and name HD21) 4.809 2.891 2.891 weight 1.000 ! spec=13C, no=1085, id=1075, vol=5.830000e+03
assign (segid "   B" and resid  226 and name   HA) (segid "   B" and resid  226 and name HD21) 2.828 1.000 1.000 weight 1.000 ! spec=13C, no=1086, id=1076, vol=1.410000e+05
assign (segid "   B" and resid  226 and name  HB2) (segid "   B" and resid  226 and name HD21) 3.492 1.524 1.524 weight 1.000 ! spec=13C, no=1087, id=1077, vol=3.980000e+04
assign (segid "   B" and resid  222 and name   HA) (segid "   B" and resid  226 and name HD22) 3.335 1.391 1.391 weight 1.000 ! spec=13C, no=1088, id=1078, vol=5.240000e+04
assign (segid "   B" and resid  222 and name  HB2) (segid "   B" and resid  226 and name HD22) 3.834 1.838 1.838 weight 1.000 ! spec=13C, no=1089, id=1079, vol=2.270000e+04
assign (segid "   B" and resid  226 and name   HA) (segid "   B" and resid  226 and name HD22) 3.095 1.197 1.197 weight 1.000 ! spec=13C, no=1090, id=1080, vol=8.210000e+04
assign (segid "   B" and resid  226 and name  HB2) (segid "   B" and resid  226 and name HD22) 5.321 3.539 3.539 weight 1.000 ! spec=13C, no=1091, id=1081, vol=3.180000e+03
assign (segid "   B" and resid  227 and name   HA) (segid "   B" and resid  226 and name  HB2) 3.625 1.642 1.642 weight 1.000 ! spec=13C, no=1092, id=1082, vol=3.180000e+04
assign (segid "   B" and resid  223 and name HG12) (segid "   B" and resid  227 and name  HB2) 3.614 1.632 1.632 weight 1.000 ! spec=13C, no=1093, id=1083, vol=3.240000e+04
assign (segid "   A" and resid   41 and name   HA) (segid "   B" and resid  228 and name  HA1) 3.172 1.258 1.258 weight 1.000 ! spec=13C, no=1098, id=1088, vol=7.080000e+04
assign (segid "   A" and resid   44 and name  HB2) (segid "   B" and resid  228 and name  HA1) 2.713 0.920 0.920 weight 1.000 ! spec=13C, no=1100, id=1090, vol=1.810000e+05
assign (segid "   A" and resid   45 and name  HA1) (segid "   B" and resid  228 and name  HA1) 3.595 1.616 1.616 weight 1.000 ! spec=13C, no=1101, id=1091, vol=3.340000e+04
assign (segid "   B" and resid  227 and name   HA) (segid "   B" and resid  228 and name  HA1) 3.346 1.400 1.400 weight 1.000 ! spec=13C, no=1102, id=1092, vol=5.140000e+04
assign (segid "   B" and resid  227 and name  HB2) (segid "   B" and resid  228 and name  HA1) 5.193 3.371 3.371 weight 1.000 ! spec=13C, no=1103, id=1093, vol=3.680000e+03
assign (segid "   B" and resid  229 and name   HA) (segid "   B" and resid  228 and name  HA1) 3.756 1.763 1.763 weight 1.000 ! spec=13C, no=1104, id=1094, vol=2.570000e+04
assign (segid "   B" and resid  229 and name  HB2) (segid "   B" and resid  228 and name  HA1) 3.010 1.133 1.133 weight 1.000 ! spec=13C, no=1105, id=1095, vol=9.700000e+04
assign (segid "   B" and resid  229 and name  HG2) (segid "   B" and resid  228 and name  HA1) 3.673 1.686 1.686 weight 1.000 ! spec=13C, no=1106, id=1096, vol=2.940000e+04
assign (segid "   A" and resid   48 and name  HB2) (segid "   B" and resid  229 and name  HB2) 2.024 0.512 0.512 weight 1.000 ! spec=13C, no=1109, id=1099, vol=1.050000e+06
assign (segid "   B" and resid  230 and name   HA) (segid "   B" and resid  229 and name  HB2) 5.003 3.129 3.129 weight 1.000 ! spec=13C, no=1110, id=1100, vol=4.600000e+03
assign (segid "   B" and resid  229 and name  HG2) (segid "   A" and resid   45 and name  HA1) 3.233 1.306 1.306 weight 1.000 ! spec=13C, no=1112, id=1102, vol=6.320000e+04
assign (segid "   B" and resid  224 and name  HB2) (segid "   B" and resid  231 and name   HN) 6.476 5.242 5.242 weight 1.000 ! spec=13C, no=1113, id=1103, vol=9.780000e+02
assign (segid "   B" and resid  230 and name  HG2) (segid "   B" and resid  231 and name   HN) 3.162 1.250 1.250 weight 1.000 ! spec=13C, no=1114, id=1104, vol=7.220000e+04
assign (segid "   B" and resid  232 and name  HG1) (segid "   B" and resid  231 and name   HA) 4.374 2.392 2.392 weight 1.000 ! spec=13C, no=1115, id=1105, vol=1.030000e+04
assign (segid "   B" and resid  224 and name  HG2) (segid "   B" and resid  231 and name  HB2) 3.993 1.993 1.993 weight 1.000 ! spec=13C, no=1116, id=1106, vol=1.780000e+04
assign (segid "   B" and resid  225 and name  HG1) (segid "   B" and resid  231 and name  HB2) 2.705 0.915 0.915 weight 1.000 ! spec=13C, no=1117, id=1107, vol=1.840000e+05
assign (segid "   B" and resid  232 and name   HA) (segid "   B" and resid  231 and name  HB2) 2.696 0.908 0.908 weight 1.000 ! spec=13C, no=1118, id=1108, vol=1.880000e+05
assign (segid "   B" and resid  236 and name HG12) (segid "   B" and resid  231 and name  HB2) 2.828 1.000 1.000 weight 1.000 ! spec=13C, no=1119, id=1109, vol=1.410000e+05
assign (segid "   A" and resid   48 and name   HA) (segid "   B" and resid  231 and name   HG) 4.905 3.007 3.007 weight 1.000 ! spec=13C, no=1120, id=1110, vol=5.180000e+03
assign (segid "   A" and resid   48 and name  HB2) (segid "   B" and resid  231 and name   HG) 2.790 0.973 0.973 weight 1.000 ! spec=13C, no=1121, id=1111, vol=1.530000e+05
assign (segid "   B" and resid  224 and name  HB2) (segid "   B" and resid  231 and name   HG) 3.528 1.556 1.556 weight 1.000 ! spec=13C, no=1123, id=1113, vol=3.740000e+04
assign (segid "   B" and resid  224 and name  HG2) (segid "   B" and resid  231 and name   HG) 3.910 1.911 1.911 weight 1.000 ! spec=13C, no=1124, id=1114, vol=2.020000e+04
assign (segid "   B" and resid  230 and name   HA) (segid "   B" and resid  231 and name   HG) 4.647 2.700 2.700 weight 1.000 ! spec=13C, no=1125, id=1115, vol=7.160000e+03
assign (segid "   B" and resid  231 and name   HA) (segid "   B" and resid  231 and name   HG) 3.562 1.586 1.586 weight 1.000 ! spec=13C, no=1126, id=1116, vol=3.530000e+04
assign (segid "   B" and resid  231 and name HD12) (segid "   B" and resid  231 and name   HG) 1.706 0.364 0.364 weight 1.000 ! spec=13C, no=1128, id=1118, vol=2.930000e+06
assign (segid "   B" and resid  234 and name  HG2) (segid "   B" and resid  232 and name   HB) 3.597 1.617 1.617 weight 1.000 ! spec=13C, no=1132, id=1122, vol=3.330000e+04
assign (segid "   B" and resid  232 and name  HG1) (segid "   B" and resid  233 and name   HN) 3.978 1.978 1.978 weight 1.000 ! spec=13C, no=1133, id=1123, vol=1.820000e+04
assign (segid "   B" and resid  225 and name  HG1) (segid "   B" and resid  233 and name   HA) 3.501 1.532 1.532 weight 1.000 ! spec=13C, no=1135, id=1125, vol=3.920000e+04
assign (segid "   B" and resid  236 and name HG12) (segid "   B" and resid  233 and name   HA) 3.066 1.175 1.175 weight 1.000 ! spec=13C, no=1137, id=1127, vol=8.680000e+04
assign (segid "   B" and resid  232 and name  HG1) (segid "   B" and resid  234 and name   HN) 3.279 1.344 1.344 weight 1.000 ! spec=13C, no=1139, id=1129, vol=5.800000e+04
assign (segid "   B" and resid  233 and name   HA) (segid "   B" and resid  234 and name  HG2) 3.048 1.161 1.161 weight 1.000 ! spec=13C, no=1142, id=1132, vol=9.000000e+04
assign (segid "   B" and resid  234 and name  HG2) (segid "   B" and resid  233 and name  HB2) 2.863 1.025 1.025 weight 1.000 ! spec=13C, no=1143, id=1133, vol=1.310000e+05
assign (segid "   B" and resid  232 and name  HG1) (segid "   B" and resid  235 and name   HN) 2.934 1.076 1.076 weight 1.000 ! spec=13C, no=1144, id=1134, vol=1.130000e+05
assign (segid "   B" and resid  233 and name  HB2) (segid "   B" and resid  235 and name   HN) 3.121 1.218 1.218 weight 1.000 ! spec=13C, no=1145, id=1135, vol=7.800000e+04
assign (segid "   B" and resid  238 and name  HG2) (segid "   B" and resid  235 and name   HA) 2.498 0.780 0.780 weight 1.000 ! spec=13C, no=1147, id=1137, vol=2.970000e+05
assign (segid "   B" and resid  232 and name   HA) (segid "   B" and resid  236 and name   HN) 3.878 1.880 1.880 weight 1.000 ! spec=13C, no=1150, id=1140, vol=2.120000e+04
assign (segid "   B" and resid  235 and name  HG2) (segid "   B" and resid  236 and name   HN) 3.571 1.594 1.594 weight 1.000 ! spec=13C, no=1151, id=1141, vol=3.480000e+04
assign (segid "   B" and resid  236 and name HG12) (segid "   B" and resid  236 and name   HN) 3.314 1.373 1.373 weight 1.000 ! spec=13C, no=1153, id=1143, vol=5.450000e+04
assign (segid "   B" and resid  236 and name HG12) (segid "   B" and resid  236 and name   HA) 3.495 1.527 1.527 weight 1.000 ! spec=13C, no=1154, id=1144, vol=3.960000e+04
assign (segid "   B" and resid  239 and name   HA) (segid "   B" and resid  236 and name   HA) 3.316 1.374 1.374 weight 1.000 ! spec=13C, no=1156, id=1146, vol=5.430000e+04
assign (segid "   B" and resid  239 and name  HE2) (segid "   B" and resid  236 and name   HA) 3.443 1.482 1.482 weight 1.000 ! spec=13C, no=1157, id=1147, vol=4.330000e+04
assign (segid "   B" and resid  239 and name  HG2) (segid "   B" and resid  236 and name   HA) 3.621 1.639 1.639 weight 1.000 ! spec=13C, no=1158, id=1148, vol=3.200000e+04
assign (segid "   B" and resid  240 and name HG12) (segid "   B" and resid  236 and name   HA) 3.267 1.334 1.334 weight 1.000 ! spec=13C, no=1159, id=1149, vol=5.930000e+04
assign (segid "   B" and resid  240 and name HG12) (segid "   B" and resid  236 and name   HB) 4.836 2.923 2.923 weight 1.000 ! spec=13C, no=1166, id=1156, vol=5.640000e+03
assign (segid "   B" and resid  234 and name   HA) (segid "   B" and resid  237 and name   HN) 4.683 2.741 2.741 weight 1.000 ! spec=13C, no=1167, id=1157, vol=6.840000e+03
assign (segid "   B" and resid  235 and name   HA) (segid "   B" and resid  237 and name   HN) 4.208 2.213 2.213 weight 1.000 ! spec=13C, no=1169, id=1159, vol=1.300000e+04
assign (segid "   B" and resid  235 and name  HB2) (segid "   B" and resid  237 and name   HN) 4.235 2.242 2.242 weight 1.000 ! spec=13C, no=1170, id=1160, vol=1.250000e+04
assign (segid "   B" and resid  236 and name HG12) (segid "   B" and resid  237 and name   HN) 3.561 1.585 1.585 weight 1.000 ! spec=13C, no=1172, id=1162, vol=3.540000e+04
assign (segid "   B" and resid  238 and name   HA) (segid "   B" and resid  237 and name   HN) 3.533 1.560 1.560 weight 1.000 ! spec=13C, no=1173, id=1163, vol=3.710000e+04
assign (segid "   B" and resid  236 and name HG12) (segid "   B" and resid  237 and name   HA) 3.993 1.993 1.993 weight 1.000 ! spec=13C, no=1174, id=1164, vol=1.780000e+04
assign (segid "   B" and resid  240 and name HG12) (segid "   B" and resid  237 and name   HA) 2.696 0.908 0.908 weight 1.000 ! spec=13C, no=1176, id=1166, vol=1.880000e+05
assign (segid "   B" and resid  234 and name  HB2) (segid "   B" and resid  237 and name  HB2) 3.812 1.817 1.817 weight 1.000 ! spec=13C, no=1178, id=1168, vol=2.350000e+04
assign (segid "   B" and resid  235 and name   HA) (segid "   B" and resid  237 and name  HB2) 2.971 1.103 1.103 weight 1.000 ! spec=13C, no=1179, id=1169, vol=1.050000e+05
assign (segid "   B" and resid  236 and name   HA) (segid "   B" and resid  237 and name  HB2) 4.235 2.242 2.242 weight 1.000 ! spec=13C, no=1180, id=1170, vol=1.250000e+04
assign (segid "   B" and resid  242 and name  HG2) (segid "   B" and resid  238 and name   HA) 2.566 0.823 0.823 weight 1.000 ! spec=13C, no=1182, id=1172, vol=2.530000e+05
assign (segid "   B" and resid  242 and name  HG2) (segid "   B" and resid  239 and name   HA) 2.158 0.582 0.582 weight 1.000 ! spec=13C, no=1186, id=1176, vol=7.140000e+05
assign (segid "   B" and resid  236 and name HG12) (segid "   B" and resid  239 and name  HB2) 2.781 0.967 0.967 weight 1.000 ! spec=13C, no=1190, id=1180, vol=1.560000e+05
assign (segid "   B" and resid  237 and name   HA) (segid "   B" and resid  239 and name  HB2) 2.726 0.929 0.929 weight 1.000 ! spec=13C, no=1191, id=1181, vol=1.760000e+05
assign (segid "   B" and resid  240 and name HG12) (segid "   B" and resid  239 and name  HB2) 4.836 2.923 2.923 weight 1.000 ! spec=13C, no=1193, id=1183, vol=5.640000e+03
assign (segid "   A" and resid   51 and name  HB2) (segid "   B" and resid  239 and name  HG2) 5.715 4.083 4.083 weight 1.000 ! spec=13C, no=1194, id=1184, vol=2.070000e+03
assign (segid "   B" and resid  240 and name HG12) (segid "   B" and resid  240 and name   HA) 3.552 1.577 1.577 weight 1.000 ! spec=13C, no=1198, id=1188, vol=3.590000e+04
assign (segid "   B" and resid  243 and name   HA) (segid "   B" and resid  240 and name   HA) 2.590 0.839 0.839 weight 1.000 ! spec=13C, no=1200, id=1190, vol=2.390000e+05
assign (segid "   B" and resid  240 and name HG12) (segid "   B" and resid  241 and name   HN) 3.070 1.178 1.178 weight 1.000 ! spec=13C, no=1209, id=1198, vol=8.610000e+04
assign (segid "   B" and resid  242 and name   HA) (segid "   B" and resid  241 and name   HN) 3.863 1.866 1.866 weight 1.000 ! spec=13C, no=1210, id=1199, vol=2.170000e+04
assign (segid "   B" and resid  242 and name  HB2) (segid "   B" and resid  241 and name   HN) 4.127 2.129 2.129 weight 1.000 ! spec=13C, no=1211, id=1200, vol=1.460000e+04
assign (segid "   B" and resid  240 and name HG12) (segid "   B" and resid  241 and name   HA) 4.579 2.621 2.621 weight 1.000 ! spec=13C, no=1212, id=1201, vol=7.830000e+03
assign (segid "   B" and resid  243 and name  HB2) (segid "   B" and resid  241 and name   HA) 3.203 1.282 1.282 weight 1.000 ! spec=13C, no=1213, id=1202, vol=6.680000e+04
assign (segid "   B" and resid  238 and name   HA) (segid "   B" and resid  241 and name   HE) 3.556 1.580 1.580 weight 1.000 ! spec=13C, no=1215, id=1204, vol=3.570000e+04
assign (segid "   B" and resid  238 and name  HG2) (segid "   B" and resid  241 and name   HE) 3.294 1.356 1.356 weight 1.000 ! spec=13C, no=1216, id=1205, vol=5.650000e+04
assign (segid "   B" and resid  241 and name   HA) (segid "   B" and resid  241 and name   HE) 6.623 5.483 5.483 weight 1.000 ! spec=13C, no=1217, id=1206, vol=8.550000e+02
assign (segid "   B" and resid  241 and name  HB2) (segid "   B" and resid  241 and name   HE) 3.552 1.577 1.577 weight 1.000 ! spec=13C, no=1218, id=1207, vol=3.590000e+04
assign (segid "   B" and resid  241 and name  HD2) (segid "   B" and resid  241 and name   HE) 3.644 1.660 1.660 weight 1.000 ! spec=13C, no=1219, id=1208, vol=3.080000e+04
assign (segid "   B" and resid  242 and name  HG2) (segid "   B" and resid  241 and name   HE) 3.241 1.313 1.313 weight 1.000 ! spec=13C, no=1220, id=1209, vol=6.220000e+04
assign (segid "   B" and resid  241 and name  HD2) (segid "   B" and resid  242 and name   HN) 3.395 1.441 1.441 weight 1.000 ! spec=13C, no=1222, id=1211, vol=4.710000e+04
assign (segid "   B" and resid  259 and name  HE2) (segid "   B" and resid  242 and name   HA) 3.339 1.393 1.393 weight 1.000 ! spec=13C, no=1224, id=1213, vol=5.210000e+04
assign (segid "   B" and resid  259 and name  HE2) (segid "   B" and resid  242 and name  HB2) 3.975 1.975 1.975 weight 1.000 ! spec=13C, no=1226, id=1215, vol=1.830000e+04
assign (segid "   B" and resid  259 and name  HG2) (segid "   B" and resid  242 and name  HB2) 2.504 0.783 0.783 weight 1.000 ! spec=13C, no=1227, id=1216, vol=2.930000e+05
assign (segid "   B" and resid  259 and name  HE2) (segid "   B" and resid  242 and name  HG2) 3.485 1.518 1.518 weight 1.000 ! spec=13C, no=1228, id=1217, vol=4.030000e+04
assign (segid "   B" and resid  240 and name   HB) (segid "   B" and resid  243 and name   HN) 4.530 2.565 2.565 weight 1.000 ! spec=13C, no=1230, id=1219, vol=8.350000e+03
assign (segid "   B" and resid  241 and name  HB2) (segid "   B" and resid  243 and name   HN) 3.234 1.307 1.307 weight 1.000 ! spec=13C, no=1231, id=1220, vol=6.310000e+04
assign (segid "   B" and resid  242 and name  HG2) (segid "   B" and resid  243 and name   HN) 3.390 1.437 1.437 weight 1.000 ! spec=13C, no=1232, id=1221, vol=4.750000e+04
assign (segid "   B" and resid  243 and name   HA) (segid "   B" and resid  242 and name  HB2) 2.909 1.058 1.058 weight 1.000 ! spec=13C, no=1233, id=1222, vol=1.190000e+05
assign (segid "   B" and resid  245 and name HG12) (segid "   B" and resid  243 and name   HA) 3.177 1.261 1.261 weight 1.000 ! spec=13C, no=1234, id=1223, vol=7.020000e+04
assign (segid "   B" and resid  259 and name  HE2) (segid "   B" and resid  243 and name   HA) 3.564 1.588 1.588 weight 1.000 ! spec=13C, no=1235, id=1224, vol=3.520000e+04
assign (segid "   B" and resid  240 and name   HA) (segid "   B" and resid  244 and name   HN) 4.095 2.096 2.096 weight 1.000 ! spec=13C, no=1236, id=1225, vol=1.530000e+04
assign (segid "   B" and resid  241 and name   HA) (segid "   B" and resid  244 and name   HN) 4.479 2.507 2.507 weight 1.000 ! spec=13C, no=1237, id=1226, vol=8.940000e+03
assign (segid "   B" and resid  242 and name   HA) (segid "   B" and resid  244 and name   HN) 3.815 1.819 1.819 weight 1.000 ! spec=13C, no=1238, id=1227, vol=2.340000e+04
assign (segid "   B" and resid  243 and name  HB2) (segid "   B" and resid  244 and name   HA) 3.240 1.312 1.312 weight 1.000 ! spec=13C, no=1241, id=1230, vol=6.240000e+04
assign (segid "   B" and resid  243 and name   HA) (segid "   B" and resid  245 and name   HN) 3.463 1.499 1.499 weight 1.000 ! spec=13C, no=1243, id=1232, vol=4.180000e+04
assign (segid "   B" and resid  243 and name  HB2) (segid "   B" and resid  245 and name   HN) 3.097 1.199 1.199 weight 1.000 ! spec=13C, no=1244, id=1233, vol=8.170000e+04
assign (segid "   B" and resid  246 and name  HB2) (segid "   B" and resid  245 and name   HN) 4.442 2.467 2.467 weight 1.000 ! spec=13C, no=1247, id=1236, vol=9.390000e+03
assign (segid "   B" and resid  243 and name   HA) (segid "   B" and resid  245 and name   HB) 4.607 2.653 2.653 weight 1.000 ! spec=13C, no=1250, id=1239, vol=7.550000e+03
assign (segid "   B" and resid  250 and name   HA) (segid "   B" and resid  245 and name   HB) 5.394 3.637 3.637 weight 1.000 ! spec=13C, no=1252, id=1241, vol=2.930000e+03
assign (segid "   B" and resid  250 and name  HB2) (segid "   B" and resid  245 and name   HB) 1.793 0.402 0.402 weight 1.000 ! spec=13C, no=1253, id=1242, vol=2.170000e+06
assign (segid "   B" and resid  251 and name   HA) (segid "   B" and resid  245 and name   HB) 3.207 1.286 1.286 weight 1.000 ! spec=13C, no=1254, id=1243, vol=6.630000e+04
assign (segid "   B" and resid  243 and name  HB2) (segid "   B" and resid  245 and name HG12) 2.123 0.563 0.563 weight 1.000 ! spec=13C, no=1259, id=1248, vol=7.890000e+05
assign (segid "   B" and resid  244 and name   HA) (segid "   B" and resid  245 and name HG12) 4.073 2.074 2.074 weight 1.000 ! spec=13C, no=1260, id=1249, vol=1.580000e+04
assign (segid "   B" and resid  245 and name HG12) (segid "   B" and resid  244 and name  HB2) 3.485 1.518 1.518 weight 1.000 ! spec=13C, no=1261, id=1250, vol=4.030000e+04
assign (segid "   B" and resid  245 and name HG12) (segid "   B" and resid  246 and name   HN) 3.013 1.135 1.135 weight 1.000 ! spec=13C, no=1262, id=1251, vol=9.640000e+04
assign (segid "   B" and resid  247 and name  HA1) (segid "   B" and resid  246 and name   HN) 3.574 1.597 1.597 weight 1.000 ! spec=13C, no=1264, id=1253, vol=3.460000e+04
assign (segid "   B" and resid  250 and name  HG2) (segid "   B" and resid  246 and name   HN) 3.328 1.384 1.384 weight 1.000 ! spec=13C, no=1265, id=1254, vol=5.310000e+04
assign (segid "   B" and resid  245 and name HG12) (segid "   B" and resid  246 and name   HA) 4.186 2.191 2.191 weight 1.000 ! spec=13C, no=1266, id=1255, vol=1.340000e+04
assign (segid "   B" and resid  250 and name  HG2) (segid "   B" and resid  246 and name   HA) 4.874 2.970 2.970 weight 1.000 ! spec=13C, no=1270, id=1259, vol=5.380000e+03
assign (segid "   B" and resid  249 and name  HA1) (segid "   B" and resid  247 and name   HN) 4.326 2.340 2.340 weight 1.000 ! spec=13C, no=1272, id=1261, vol=1.100000e+04
assign (segid "   B" and resid  250 and name  HB2) (segid "   B" and resid  247 and name   HN) 2.561 0.820 0.820 weight 1.000 ! spec=13C, no=1274, id=1263, vol=2.560000e+05
assign (segid "   B" and resid  250 and name  HG2) (segid "   B" and resid  247 and name   HN) 3.328 1.384 1.384 weight 1.000 ! spec=13C, no=1275, id=1264, vol=5.310000e+04
assign (segid "   B" and resid  250 and name  HG2) (segid "   B" and resid  247 and name  HA1) 3.272 1.338 1.338 weight 1.000 ! spec=13C, no=1279, id=1267, vol=5.880000e+04
assign (segid "   B" and resid  246 and name   HA) (segid "   B" and resid  248 and name   HN) 2.597 0.843 0.843 weight 1.000 ! spec=13C, no=1280, id=1268, vol=2.350000e+05
assign (segid "   B" and resid  217 and name  HB2) (segid "   B" and resid  249 and name  HA1) 6.702 5.615 5.615 weight 1.000 ! spec=13C, no=1285, id=1273, vol=7.960000e+02
assign (segid "   B" and resid  249 and name  HA1) (segid "   B" and resid  246 and name  HB2) 4.186 2.191 2.191 weight 1.000 ! spec=13C, no=1287, id=1275, vol=1.340000e+04
assign (segid "   B" and resid  250 and name   HA) (segid "   B" and resid  249 and name  HA1) 3.033 1.150 1.150 weight 1.000 ! spec=13C, no=1289, id=1276, vol=9.260000e+04
assign (segid "   B" and resid  217 and name  HB2) (segid "   B" and resid  250 and name   HN) 2.766 0.957 0.957 weight 1.000 ! spec=13C, no=1290, id=1277, vol=1.610000e+05
assign (segid "   B" and resid  245 and name   HB) (segid "   B" and resid  250 and name   HN) 3.063 1.173 1.173 weight 1.000 ! spec=13C, no=1292, id=1279, vol=8.740000e+04
assign (segid "   B" and resid  251 and name   HA) (segid "   B" and resid  250 and name   HN) 3.953 1.954 1.954 weight 1.000 ! spec=13C, no=1294, id=1281, vol=1.890000e+04
assign (segid "   B" and resid  251 and name   HB) (segid "   B" and resid  250 and name   HN) 3.279 1.344 1.344 weight 1.000 ! spec=13C, no=1295, id=1282, vol=5.800000e+04
assign (segid "   B" and resid  251 and name HG12) (segid "   B" and resid  250 and name   HN) 4.247 2.254 2.254 weight 1.000 ! spec=13C, no=1296, id=1283, vol=1.230000e+04
assign (segid "   B" and resid  245 and name   HA) (segid "   B" and resid  250 and name  HB2) 2.990 1.117 1.117 weight 1.000 ! spec=13C, no=1298, id=1285, vol=1.010000e+05
assign (segid "   B" and resid  245 and name HG12) (segid "   B" and resid  250 and name  HB2) 3.297 1.359 1.359 weight 1.000 ! spec=13C, no=1300, id=1287, vol=5.620000e+04
assign (segid "   B" and resid  245 and name HG12) (segid "   B" and resid  251 and name   HN) 4.008 2.008 2.008 weight 1.000 ! spec=13C, no=1307, id=1294, vol=1.740000e+04
assign (segid "   B" and resid  249 and name  HA1) (segid "   B" and resid  251 and name   HN) 4.954 3.068 3.068 weight 1.000 ! spec=13C, no=1309, id=1296, vol=4.880000e+03
assign (segid "   B" and resid  251 and name HG12) (segid "   B" and resid  251 and name   HN) 3.599 1.619 1.619 weight 1.000 ! spec=13C, no=1310, id=1297, vol=3.320000e+04
assign (segid "   B" and resid  243 and name  HB2) (segid "   B" and resid  251 and name   HA) 3.025 1.144 1.144 weight 1.000 ! spec=13C, no=1312, id=1299, vol=9.420000e+04
assign (segid "   B" and resid  245 and name HG12) (segid "   B" and resid  251 and name   HA) 3.852 1.854 1.854 weight 1.000 ! spec=13C, no=1314, id=1301, vol=2.210000e+04
assign (segid "   B" and resid  251 and name   HA) (segid "   B" and resid  250 and name  HB2) 2.859 1.022 1.022 weight 1.000 ! spec=13C, no=1315, id=1302, vol=1.320000e+05
assign (segid "   B" and resid  251 and name HG12) (segid "   B" and resid  251 and name   HA) 3.658 1.673 1.673 weight 1.000 ! spec=13C, no=1317, id=1304, vol=3.010000e+04
assign (segid "   B" and resid  215 and name   HB) (segid "   B" and resid  251 and name   HB) 4.467 2.494 2.494 weight 1.000 ! spec=13C, no=1319, id=1306, vol=9.080000e+03
assign (segid "   B" and resid  215 and name HG12) (segid "   B" and resid  251 and name   HB) 2.479 0.768 0.768 weight 1.000 ! spec=13C, no=1320, id=1307, vol=3.110000e+05
assign (segid "   B" and resid  245 and name   HB) (segid "   B" and resid  252 and name   HN) 3.470 1.505 1.505 weight 1.000 ! spec=13C, no=1323, id=1310, vol=4.130000e+04
assign (segid "   B" and resid  250 and name   HA) (segid "   B" and resid  252 and name   HN) 5.160 3.329 3.329 weight 1.000 ! spec=13C, no=1326, id=1313, vol=3.820000e+03
assign (segid "   B" and resid  250 and name  HB2) (segid "   B" and resid  252 and name   HN) 5.358 3.588 3.588 weight 1.000 ! spec=13C, no=1327, id=1314, vol=3.050000e+03
assign (segid "   B" and resid  245 and name HG12) (segid "   B" and resid  252 and name  HB2) 4.213 2.219 2.219 weight 1.000 ! spec=13C, no=1330, id=1317, vol=1.290000e+04
assign (segid "   B" and resid  213 and name  HA1) (segid "   B" and resid  252 and name HD22) 3.888 1.889 1.889 weight 1.000 ! spec=13C, no=1331, id=1318, vol=2.090000e+04
assign (segid "   B" and resid  252 and name   HA) (segid "   B" and resid  252 and name HD22) 3.195 1.276 1.276 weight 1.000 ! spec=13C, no=1332, id=1319, vol=6.780000e+04
assign (segid "   B" and resid  252 and name  HB2) (segid "   B" and resid  252 and name HD22) 3.668 1.682 1.682 weight 1.000 ! spec=13C, no=1333, id=1320, vol=2.960000e+04
assign (segid "   B" and resid  254 and name  HB2) (segid "   B" and resid  252 and name HD22) 3.117 1.214 1.214 weight 1.000 ! spec=13C, no=1334, id=1321, vol=7.870000e+04
assign (segid "   B" and resid  251 and name HG12) (segid "   B" and resid  253 and name   HA) 2.632 0.866 0.866 weight 1.000 ! spec=13C, no=1337, id=1324, vol=2.170000e+05
assign (segid "   B" and resid  204 and name   HA) (segid "   B" and resid  253 and name  HB2) 3.089 1.193 1.193 weight 1.000 ! spec=13C, no=1338, id=1325, vol=8.300000e+04
assign (segid "   B" and resid  254 and name   HA) (segid "   B" and resid  253 and name  HB2) 3.783 1.789 1.789 weight 1.000 ! spec=13C, no=1339, id=1326, vol=2.460000e+04
assign (segid "   B" and resid  201 and name  HB2) (segid "   B" and resid  253 and name  HD1) 4.669 2.725 2.725 weight 1.000 ! spec=13C, no=1341, id=1328, vol=6.960000e+03
assign (segid "   B" and resid  201 and name  HG2) (segid "   B" and resid  253 and name  HD1) 3.235 1.308 1.308 weight 1.000 ! spec=13C, no=1342, id=1329, vol=6.300000e+04
assign (segid "   B" and resid  204 and name   HA) (segid "   B" and resid  253 and name  HD1) 6.711 5.629 5.629 weight 1.000 ! spec=13C, no=1343, id=1330, vol=7.900000e+02
assign (segid "   B" and resid  254 and name  HB2) (segid "   B" and resid  253 and name  HD1) 3.278 1.344 1.344 weight 1.000 ! spec=13C, no=1344, id=1331, vol=5.810000e+04
assign (segid "   B" and resid  257 and name HG12) (segid "   B" and resid  253 and name  HD1) 3.329 1.385 1.385 weight 1.000 ! spec=13C, no=1345, id=1332, vol=5.300000e+04
assign (segid "   B" and resid  204 and name  HB2) (segid "   B" and resid  253 and name  HD2) 3.601 1.621 1.621 weight 1.000 ! spec=13C, no=1346, id=1333, vol=3.310000e+04
assign (segid "   B" and resid  215 and name HG12) (segid "   B" and resid  253 and name  HD2) 3.818 1.822 1.822 weight 1.000 ! spec=13C, no=1347, id=1334, vol=2.330000e+04
assign (segid "   B" and resid  201 and name  HG2) (segid "   B" and resid  253 and name  HE2) 3.903 1.904 1.904 weight 1.000 ! spec=13C, no=1350, id=1337, vol=2.040000e+04
assign (segid "   B" and resid  204 and name  HB2) (segid "   B" and resid  253 and name  HE2) 3.673 1.686 1.686 weight 1.000 ! spec=13C, no=1351, id=1338, vol=2.940000e+04
assign (segid "   B" and resid  205 and name   HA) (segid "   B" and resid  253 and name  HE2) 3.012 1.134 1.134 weight 1.000 ! spec=13C, no=1352, id=1339, vol=9.670000e+04
assign (segid "   B" and resid  205 and name  HD2) (segid "   B" and resid  253 and name  HE2) 3.997 1.997 1.997 weight 1.000 ! spec=13C, no=1354, id=1341, vol=1.770000e+04
assign (segid "   B" and resid  205 and name  HG2) (segid "   B" and resid  253 and name  HE2) 3.115 1.213 1.213 weight 1.000 ! spec=13C, no=1355, id=1342, vol=7.890000e+04
assign (segid "   B" and resid  208 and name   HA) (segid "   B" and resid  253 and name  HE2) 2.327 0.677 0.677 weight 1.000 ! spec=13C, no=1356, id=1343, vol=4.540000e+05
assign (segid "   B" and resid  257 and name HG12) (segid "   B" and resid  254 and name   HA) 2.995 1.121 1.121 weight 1.000 ! spec=13C, no=1358, id=1345, vol=1.000000e+05
assign (segid "   B" and resid  253 and name   HA) (segid "   B" and resid  254 and name  HB2) 3.140 1.233 1.233 weight 1.000 ! spec=13C, no=1360, id=1347, vol=7.520000e+04
assign (segid "   B" and resid  254 and name  HB2) (segid "   B" and resid  255 and name   HA) 3.241 1.313 1.313 weight 1.000 ! spec=13C, no=1364, id=1351, vol=6.220000e+04
assign (segid "   B" and resid  255 and name   HA) (segid "   B" and resid  254 and name  HG2) 3.599 1.619 1.619 weight 1.000 ! spec=13C, no=1365, id=1352, vol=3.320000e+04
assign (segid "   B" and resid  252 and name   HA) (segid "   B" and resid  255 and name  HB2) 4.926 3.033 3.033 weight 1.000 ! spec=13C, no=1366, id=1353, vol=5.050000e+03
assign (segid "   B" and resid  256 and name   HA) (segid "   B" and resid  255 and name  HG2) 3.583 1.605 1.605 weight 1.000 ! spec=13C, no=1369, id=1356, vol=3.410000e+04
assign (segid "   B" and resid  259 and name  HE2) (segid "   B" and resid  256 and name   HA) 6.370 5.072 5.072 weight 1.000 ! spec=13C, no=1370, id=1357, vol=1.080000e+03
assign (segid "   B" and resid  254 and name   HA) (segid "   B" and resid  256 and name  HB2) 3.223 1.298 1.298 weight 1.000 ! spec=13C, no=1371, id=1358, vol=6.440000e+04
assign (segid "   B" and resid  255 and name   HA) (segid "   B" and resid  256 and name  HB2) 5.127 3.286 3.286 weight 1.000 ! spec=13C, no=1372, id=1359, vol=3.970000e+03
assign (segid "   B" and resid  243 and name   HA) (segid "   B" and resid  256 and name  HD1) 2.990 1.117 1.117 weight 1.000 ! spec=13C, no=1373, id=1360, vol=1.010000e+05
assign (segid "   B" and resid  251 and name HG12) (segid "   B" and resid  256 and name  HD1) 2.696 0.908 0.908 weight 1.000 ! spec=13C, no=1374, id=1361, vol=1.880000e+05
assign (segid "   B" and resid  255 and name   HA) (segid "   B" and resid  256 and name  HD1) 4.811 2.893 2.893 weight 1.000 ! spec=13C, no=1375, id=1362, vol=5.820000e+03
assign (segid "   B" and resid  255 and name  HB2) (segid "   B" and resid  256 and name  HD1) 4.678 2.736 2.736 weight 1.000 ! spec=13C, no=1376, id=1363, vol=6.880000e+03
assign (segid "   B" and resid  255 and name  HG2) (segid "   B" and resid  256 and name  HD1) 3.525 1.553 1.553 weight 1.000 ! spec=13C, no=1377, id=1364, vol=3.760000e+04
assign (segid "   B" and resid  259 and name  HE2) (segid "   B" and resid  256 and name  HD1) 4.060 2.061 2.061 weight 1.000 ! spec=13C, no=1378, id=1365, vol=1.610000e+04
assign (segid "   B" and resid  220 and name HD12) (segid "   B" and resid  256 and name  HE2) 3.756 1.763 1.763 weight 1.000 ! spec=13C, no=1379, id=1366, vol=2.570000e+04
assign (segid "   B" and resid  243 and name   HA) (segid "   B" and resid  256 and name  HE2) 3.579 1.602 1.602 weight 1.000 ! spec=13C, no=1380, id=1367, vol=3.430000e+04
assign (segid "   B" and resid  243 and name  HB2) (segid "   B" and resid  256 and name  HE2) 4.353 2.369 2.369 weight 1.000 ! spec=13C, no=1381, id=1368, vol=1.060000e+04
assign (segid "   B" and resid  245 and name HG12) (segid "   B" and resid  256 and name  HE2) 4.520 2.554 2.554 weight 1.000 ! spec=13C, no=1382, id=1369, vol=8.460000e+03
assign (segid "   B" and resid  256 and name   HA) (segid "   B" and resid  256 and name  HE2) 3.248 1.319 1.319 weight 1.000 ! spec=13C, no=1385, id=1372, vol=6.140000e+04
assign (segid "   B" and resid  220 and name HD12) (segid "   B" and resid  256 and name   HZ) 4.454 2.480 2.480 weight 1.000 ! spec=13C, no=1386, id=1373, vol=9.240000e+03
assign (segid "   B" and resid  239 and name   HA) (segid "   B" and resid  256 and name   HZ) 2.897 1.049 1.049 weight 1.000 ! spec=13C, no=1387, id=1374, vol=1.220000e+05
assign (segid "   B" and resid  239 and name  HB2) (segid "   B" and resid  256 and name   HZ) 3.273 1.339 1.339 weight 1.000 ! spec=13C, no=1388, id=1375, vol=5.870000e+04
assign (segid "   B" and resid  240 and name   HA) (segid "   B" and resid  256 and name   HZ) 3.815 1.819 1.819 weight 1.000 ! spec=13C, no=1389, id=1376, vol=2.340000e+04
assign (segid "   B" and resid  243 and name   HA) (segid "   B" and resid  256 and name   HZ) 3.634 1.651 1.651 weight 1.000 ! spec=13C, no=1390, id=1377, vol=3.130000e+04
assign (segid "   B" and resid  243 and name  HB2) (segid "   B" and resid  256 and name   HZ) 4.548 2.586 2.586 weight 1.000 ! spec=13C, no=1391, id=1378, vol=8.150000e+03
assign (segid "   B" and resid  200 and name HD12) (segid "   B" and resid  257 and name   HA) 3.057 1.168 1.168 weight 1.000 ! spec=13C, no=1394, id=1381, vol=8.840000e+04
assign (segid "   B" and resid  257 and name HG12) (segid "   B" and resid  257 and name   HA) 3.614 1.632 1.632 weight 1.000 ! spec=13C, no=1395, id=1382, vol=3.240000e+04
assign (segid "   B" and resid  260 and name  HE2) (segid "   B" and resid  257 and name   HA) 3.443 1.482 1.482 weight 1.000 ! spec=13C, no=1397, id=1384, vol=4.330000e+04
assign (segid "   B" and resid  254 and name  HG2) (segid "   B" and resid  257 and name   HB) 2.971 1.103 1.103 weight 1.000 ! spec=13C, no=1398, id=1385, vol=1.050000e+05
assign (segid "   B" and resid  255 and name   HA) (segid "   B" and resid  257 and name   HB) 3.601 1.621 1.621 weight 1.000 ! spec=13C, no=1399, id=1386, vol=3.310000e+04
assign (segid "   B" and resid  254 and name   HA) (segid "   B" and resid  258 and name   HN) 3.316 1.374 1.374 weight 1.000 ! spec=13C, no=1402, id=1389, vol=5.430000e+04
assign (segid "   B" and resid  257 and name HG12) (segid "   B" and resid  258 and name   HN) 2.673 0.893 0.893 weight 1.000 ! spec=13C, no=1404, id=1391, vol=1.980000e+05
assign (segid "   B" and resid  257 and name HG12) (segid "   B" and resid  258 and name   HA) 2.975 1.107 1.107 weight 1.000 ! spec=13C, no=1405, id=1392, vol=1.040000e+05
assign (segid "   B" and resid  261 and name   HA) (segid "   B" and resid  258 and name   HA) 3.292 1.355 1.355 weight 1.000 ! spec=13C, no=1406, id=1393, vol=5.670000e+04
assign (segid "   B" and resid  261 and name  HG1) (segid "   B" and resid  258 and name   HA) 2.739 0.938 0.938 weight 1.000 ! spec=13C, no=1407, id=1394, vol=1.710000e+05
assign (segid "   B" and resid  257 and name HG12) (segid "   B" and resid  258 and name  HG2) 2.772 0.961 0.961 weight 1.000 ! spec=13C, no=1408, id=1395, vol=1.590000e+05
assign (segid "   B" and resid  257 and name   HB) (segid "   B" and resid  259 and name   HN) 3.119 1.216 1.216 weight 1.000 ! spec=13C, no=1409, id=1396, vol=7.840000e+04
assign (segid "   B" and resid  260 and name  HB2) (segid "   B" and resid  259 and name   HN) 3.791 1.797 1.797 weight 1.000 ! spec=13C, no=1410, id=1397, vol=2.430000e+04
assign (segid "   B" and resid  260 and name  HG2) (segid "   B" and resid  259 and name   HN) 4.146 2.149 2.149 weight 1.000 ! spec=13C, no=1411, id=1398, vol=1.420000e+04
assign (segid "   B" and resid  260 and name  HB2) (segid "   B" and resid  259 and name  HG2) 3.679 1.692 1.692 weight 1.000 ! spec=13C, no=1414, id=1401, vol=2.910000e+04
assign (segid "   B" and resid  260 and name  HG2) (segid "   B" and resid  259 and name  HG2) 2.859 1.022 1.022 weight 1.000 ! spec=13C, no=1415, id=1402, vol=1.320000e+05
assign (segid "   B" and resid  260 and name   HA) (segid "   B" and resid  259 and name  HG2) 4.122 2.124 2.124 weight 1.000 ! spec=13C, no=1417, id=1404, vol=1.470000e+04
assign (segid "   B" and resid  261 and name  HG1) (segid "   B" and resid  260 and name  HB2) 2.030 0.515 0.515 weight 1.000 ! spec=13C, no=1418, id=1405, vol=1.030000e+06
assign (segid "   B" and resid  260 and name  HG2) (segid "   A" and resid   51 and name   HA) 4.307 2.319 2.319 weight 1.000 ! spec=13C, no=1419, id=1406, vol=1.130000e+04
assign (segid "   B" and resid  260 and name  HG2) (segid "   A" and resid   54 and name  HB2) 3.227 1.302 1.302 weight 1.000 ! spec=13C, no=1420, id=1407, vol=6.390000e+04
assign (segid "   B" and resid  258 and name  HB2) (segid "   B" and resid  261 and name   HN) 3.051 1.163 1.163 weight 1.000 ! spec=13C, no=1423, id=1410, vol=8.950000e+04
assign (segid "   B" and resid  259 and name  HB2) (segid "   B" and resid  261 and name   HN) 4.941 3.051 3.051 weight 1.000 ! spec=13C, no=1424, id=1411, vol=4.960000e+03
assign (segid "   B" and resid  192 and name  HD2) (segid "   B" and resid  261 and name   HB) 4.156 2.159 2.159 weight 1.000 ! spec=13C, no=1429, id=1416, vol=1.400000e+04
assign (segid "   B" and resid  261 and name   HB) (segid "   B" and resid  197 and name  HB2) 3.950 1.950 1.950 weight 1.000 ! spec=13C, no=1430, id=1417, vol=1.900000e+04
assign (segid "   B" and resid  192 and name   HA) (segid "   B" and resid  262 and name   HN) 2.713 0.920 0.920 weight 1.000 ! spec=13C, no=1431, id=1418, vol=1.810000e+05
assign (segid "   B" and resid  192 and name  HB2) (segid "   B" and resid  262 and name   HN) 4.904 3.006 3.006 weight 1.000 ! spec=13C, no=1432, id=1419, vol=5.190000e+03
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   10 and name   HA) 4.326 2.340 2.340 weight 1.000 ! spec=13C, no=1439, id=1425, vol=1.100000e+04
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   10 and name   HA) 2.272 0.645 0.645 weight 1.000 ! spec=13C, no=1442, id=1428, vol=5.240000e+05
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name  HB2) 5.048 3.185 3.185 weight 1.000 ! spec=13C, no=1444, id=1429, vol=4.360000e+03
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   10 and name  HB2) 3.681 1.694 1.694 weight 1.000 ! spec=13C, no=1445, id=1430, vol=2.900000e+04
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name   HA) 2.099 0.551 0.551 weight 1.000 ! spec=13C, no=1446, id=1431, vol=8.440000e+05
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name   HN) 2.893 1.046 1.046 weight 1.000 ! spec=13C, no=1449, id=1433, vol=1.230000e+05
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name   HA) 2.693 0.907 0.907 weight 1.000 ! spec=13C, no=1451, id=1434, vol=1.890000e+05
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   11 and name  HB2) 3.084 1.189 1.189 weight 1.000 ! spec=13C, no=1456, id=1438, vol=8.380000e+04
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   11 and name  HB2) 3.206 1.284 1.284 weight 1.000 ! spec=13C, no=1457, id=1439, vol=6.650000e+04
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name   HA) 2.805 0.984 0.984 weight 1.000 ! spec=13C, no=1458, id=1440, vol=1.480000e+05
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name  HB2) 2.008 0.504 0.504 weight 1.000 ! spec=13C, no=1459, id=1441, vol=1.100000e+06
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   12 and name   HN) 2.381 0.709 0.709 weight 1.000 ! spec=13C, no=1461, id=1442, vol=3.960000e+05
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   12 and name   HN) 3.796 1.802 1.802 weight 1.000 ! spec=13C, no=1462, id=1443, vol=2.410000e+04
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name   HN) 2.825 0.997 0.997 weight 1.000 ! spec=13C, no=1463, id=1444, vol=1.420000e+05
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name   HN) 2.838 1.007 1.007 weight 1.000 ! spec=13C, no=1464, id=1445, vol=1.380000e+05
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name   HA) 2.517 0.792 0.792 weight 1.000 ! spec=13C, no=1469, id=1449, vol=2.840000e+05
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   12 and name   HA) 2.505 0.784 0.784 weight 1.000 ! spec=13C, no=1472, id=1451, vol=2.920000e+05
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   12 and name  HB2) 2.052 0.527 0.527 weight 1.000 ! spec=13C, no=1473, id=1452, vol=9.650000e+05
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   13 and name   HN) 2.586 0.836 0.836 weight 1.000 ! spec=13C, no=1475, id=1453, vol=2.410000e+05
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name   HN) 2.536 0.804 0.804 weight 1.000 ! spec=13C, no=1476, id=1454, vol=2.710000e+05
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   13 and name   HN) 2.926 1.070 1.070 weight 1.000 ! spec=13C, no=1477, id=1455, vol=1.150000e+05
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   13 and name   HN) 6.771 5.730 5.730 weight 1.000 ! spec=13C, no=1478, id=1456, vol=7.490000e+02
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   13 and name   HA) 2.852 1.017 1.017 weight 1.000 ! spec=13C, no=1480, id=1457, vol=1.340000e+05
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   13 and name  HB2) 1.792 0.401 0.401 weight 1.000 ! spec=13C, no=1484, id=1460, vol=2.180000e+06
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   13 and name   HA) 2.636 0.869 0.869 weight 1.000 ! spec=13C, no=1485, id=1461, vol=2.150000e+05
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   13 and name  HB1) 4.241 2.248 2.248 weight 1.000 ! spec=13C, no=1488, id=1463, vol=1.240000e+04
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   14 and name   HN) 2.825 0.997 0.997 weight 1.000 ! spec=13C, no=1489, id=1464, vol=1.420000e+05
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   14 and name   HN) 2.408 0.725 0.725 weight 1.000 ! spec=13C, no=1490, id=1465, vol=3.700000e+05
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   14 and name   HN) 2.217 0.615 0.615 weight 1.000 ! spec=13C, no=1491, id=1466, vol=6.070000e+05
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   14 and name   HN) 2.661 0.885 0.885 weight 1.000 ! spec=13C, no=1492, id=1467, vol=2.030000e+05
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   14 and name   HN) 2.812 0.988 0.988 weight 1.000 ! spec=13C, no=1493, id=1468, vol=1.460000e+05
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name   HN) 6.625 5.487 5.487 weight 1.000 ! spec=13C, no=1494, id=1469, vol=8.530000e+02
assign (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   14 and name   HN) 3.171 1.257 1.257 weight 1.000 ! spec=13C, no=1496, id=1471, vol=7.100000e+04
assign (segid "   A" and resid   14 and name   HB) (segid "   A" and resid   14 and name   HA) 3.290 1.353 1.353 weight 1.000 ! spec=13C, no=1498, id=1472, vol=5.690000e+04
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   14 and name   HA) 4.024 2.024 2.024 weight 1.000 ! spec=13C, no=1499, id=1473, vol=1.700000e+04
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name HG12) 3.241 1.313 1.313 weight 1.000 ! spec=13C, no=1503, id=1476, vol=6.230000e+04
assign (segid "   A" and resid   14 and name   HB) (segid "   A" and resid   14 and name HG12) 4.001 2.001 2.001 weight 1.000 ! spec=13C, no=1504, id=1477, vol=1.760000e+04
assign (segid "   A" and resid   14 and name   HB) (segid "   A" and resid   14 and name HG11) 3.029 1.147 1.147 weight 1.000 ! spec=13C, no=1505, id=1478, vol=9.350000e+04
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name HD12) 2.897 1.049 1.049 weight 1.000 ! spec=13C, no=1506, id=1479, vol=1.220000e+05
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name HG22) 5.391 3.632 3.632 weight 1.000 ! spec=13C, no=1507, id=1480, vol=2.940000e+03
assign (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   15 and name   HA) 2.815 0.991 0.991 weight 1.000 ! spec=13C, no=1509, id=1481, vol=1.450000e+05
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   15 and name   HA) 4.122 2.124 2.124 weight 1.000 ! spec=13C, no=1511, id=1483, vol=1.470000e+04
assign (segid "   A" and resid   15 and name  HG2) (segid "   A" and resid   15 and name  HB2) 1.749 0.382 0.382 weight 1.000 ! spec=13C, no=1521, id=1492, vol=2.520000e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   15 and name  HB2) 4.091 2.092 2.092 weight 1.000 ! spec=13C, no=1523, id=1494, vol=1.540000e+04
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   15 and name  HB2) 2.675 0.894 0.894 weight 1.000 ! spec=13C, no=1524, id=1495, vol=1.970000e+05
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   15 and name   HA) 3.191 1.272 1.272 weight 1.000 ! spec=13C, no=1525, id=1496, vol=6.840000e+04
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   15 and name  HB1) 3.442 1.481 1.481 weight 1.000 ! spec=13C, no=1528, id=1498, vol=4.340000e+04
assign (segid "   A" and resid   15 and name  HD1) (segid "   A" and resid   15 and name  HB1) 3.287 1.351 1.351 weight 1.000 ! spec=13C, no=1529, id=1499, vol=5.720000e+04
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   15 and name  HD2) 2.543 0.808 0.808 weight 1.000 ! spec=13C, no=1531, id=1501, vol=2.670000e+05
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   15 and name  HB2) 3.636 1.653 1.653 weight 1.000 ! spec=13C, no=1532, id=1502, vol=3.120000e+04
assign (segid "   A" and resid   15 and name  HD1) (segid "   A" and resid   14 and name   HA) 3.419 1.461 1.461 weight 1.000 ! spec=13C, no=1539, id=1508, vol=4.520000e+04
assign (segid "   A" and resid   15 and name  HD1) (segid "   A" and resid   15 and name   HA) 3.612 1.631 1.631 weight 1.000 ! spec=13C, no=1540, id=1509, vol=3.250000e+04
assign (segid "   A" and resid   15 and name  HD1) (segid "   A" and resid   15 and name  HB2) 2.922 1.067 1.067 weight 1.000 ! spec=13C, no=1541, id=1510, vol=1.160000e+05
assign (segid "   A" and resid   15 and name  HG2) (segid "   A" and resid   15 and name  HD1) 4.024 2.024 2.024 weight 1.000 ! spec=13C, no=1545, id=1513, vol=1.700000e+04
assign (segid "   A" and resid   15 and name  HG1) (segid "   A" and resid   15 and name  HD1) 3.194 1.275 1.275 weight 1.000 ! spec=13C, no=1546, id=1514, vol=6.800000e+04
assign (segid "   A" and resid   15 and name  HG2) (segid "   A" and resid   15 and name   HA) 3.443 1.482 1.482 weight 1.000 ! spec=13C, no=1547, id=1515, vol=4.330000e+04
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   15 and name  HG2) 2.024 0.512 0.512 weight 1.000 ! spec=13C, no=1549, id=1517, vol=1.050000e+06
assign (segid "   A" and resid   15 and name  HG2) (segid "   A" and resid   15 and name  HD2) 3.487 1.520 1.520 weight 1.000 ! spec=13C, no=1550, id=1518, vol=4.010000e+04
assign (segid "   A" and resid   15 and name  HG1) (segid "   A" and resid   15 and name  HG2) 1.366 0.233 0.233 weight 1.000 ! spec=13C, no=1552, id=1520, vol=1.110000e+07
assign (segid "   A" and resid   18 and name  HG1) (segid "   A" and resid   15 and name  HG2) 4.882 2.979 2.979 weight 1.000 ! spec=13C, no=1554, id=1522, vol=5.330000e+03
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   15 and name  HG1) 3.556 1.580 1.580 weight 1.000 ! spec=13C, no=1555, id=1523, vol=3.570000e+04
assign (segid "   A" and resid   15 and name  HG1) (segid "   A" and resid   15 and name   HA) 4.224 2.230 2.230 weight 1.000 ! spec=13C, no=1556, id=1524, vol=1.270000e+04
assign (segid "   A" and resid   15 and name  HG1) (segid "   A" and resid   15 and name  HB2) 2.905 1.055 1.055 weight 1.000 ! spec=13C, no=1557, id=1525, vol=1.200000e+05
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   15 and name  HG1) 1.689 0.357 0.357 weight 1.000 ! spec=13C, no=1558, id=1526, vol=3.110000e+06
assign (segid "   A" and resid   15 and name  HG1) (segid "   A" and resid   15 and name  HD2) 3.463 1.499 1.499 weight 1.000 ! spec=13C, no=1559, id=1527, vol=4.180000e+04
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name   HN) 3.082 1.187 1.187 weight 1.000 ! spec=13C, no=1562, id=1530, vol=8.420000e+04
assign (segid "   A" and resid   16 and name   HB) (segid "   A" and resid   16 and name   HN) 2.863 1.025 1.025 weight 1.000 ! spec=13C, no=1563, id=1531, vol=1.310000e+05
assign (segid "   A" and resid   16 and name HG21) (segid "   A" and resid   16 and name   HN) 3.579 1.602 1.602 weight 1.000 ! spec=13C, no=1564, id=1532, vol=3.430000e+04
assign (segid "   A" and resid   16 and name   HB) (segid "   A" and resid   16 and name   HA) 2.999 1.124 1.124 weight 1.000 ! spec=13C, no=1567, id=1533, vol=9.910000e+04
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   16 and name   HA) 2.930 1.073 1.073 weight 1.000 ! spec=13C, no=1568, id=1534, vol=1.140000e+05
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name HG21) 3.783 1.789 1.789 weight 1.000 ! spec=13C, no=1571, id=1536, vol=2.460000e+04
assign (segid "   A" and resid   16 and name   HB) (segid "   A" and resid   16 and name HG21) 2.772 0.961 0.961 weight 1.000 ! spec=13C, no=1572, id=1537, vol=1.590000e+05
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name   HN) 3.014 1.136 1.136 weight 1.000 ! spec=13C, no=1576, id=1540, vol=9.620000e+04
assign (segid "   A" and resid   17 and name HG21) (segid "   A" and resid   17 and name   HN) 3.154 1.243 1.243 weight 1.000 ! spec=13C, no=1577, id=1541, vol=7.330000e+04
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name HG21) 3.648 1.664 1.664 weight 1.000 ! spec=13C, no=1582, id=1544, vol=3.060000e+04
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   18 and name   HN) 1.780 0.396 0.396 weight 1.000 ! spec=13C, no=1585, id=1547, vol=2.270000e+06
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   18 and name   HA) 3.174 1.260 1.260 weight 1.000 ! spec=13C, no=1589, id=1550, vol=7.050000e+04
assign (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   18 and name   HA) 2.342 0.686 0.686 weight 1.000 ! spec=13C, no=1590, id=1551, vol=4.370000e+05
assign (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   18 and name  HB2) 1.574 0.310 0.310 weight 1.000 ! spec=13C, no=1595, id=1555, vol=4.750000e+06
assign (segid "   A" and resid   18 and name  HG1) (segid "   A" and resid   18 and name   HA) 3.130 1.225 1.225 weight 1.000 ! spec=13C, no=1600, id=1559, vol=7.670000e+04
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   18 and name  HG1) 2.673 0.893 0.893 weight 1.000 ! spec=13C, no=1601, id=1560, vol=1.980000e+05
assign (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   18 and name  HG1) 2.566 0.823 0.823 weight 1.000 ! spec=13C, no=1602, id=1561, vol=2.530000e+05
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name   HN) 2.307 0.665 0.665 weight 1.000 ! spec=13C, no=1604, id=1562, vol=4.790000e+05
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name   HN) 2.146 0.576 0.576 weight 1.000 ! spec=13C, no=1606, id=1564, vol=7.380000e+05
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   18 and name   HA) 4.507 2.539 2.539 weight 1.000 ! spec=13C, no=1607, id=1565, vol=8.610000e+03
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name   HA) 2.277 0.648 0.648 weight 1.000 ! spec=13C, no=1610, id=1567, vol=5.170000e+05
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   19 and name   HA) 3.311 1.370 1.370 weight 1.000 ! spec=13C, no=1611, id=1568, vol=5.480000e+04
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   19 and name  HB2) 3.355 1.407 1.407 weight 1.000 ! spec=13C, no=1612, id=1569, vol=5.060000e+04
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name   HA) 3.466 1.502 1.502 weight 1.000 ! spec=13C, no=1613, id=1570, vol=4.160000e+04
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name  HB2) 1.343 0.225 0.225 weight 1.000 ! spec=13C, no=1617, id=1573, vol=1.230000e+07
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   20 and name   HN) 2.287 0.654 0.654 weight 1.000 ! spec=13C, no=1619, id=1574, vol=5.040000e+05
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name   HN) 3.993 1.993 1.993 weight 1.000 ! spec=13C, no=1623, id=1578, vol=1.780000e+04
assign (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   20 and name   HN) 5.715 4.083 4.083 weight 1.000 ! spec=13C, no=1624, id=1579, vol=2.070000e+03
assign (segid "   A" and resid   20 and name HD22) (segid "   A" and resid   20 and name   HN) 2.812 0.988 0.988 weight 1.000 ! spec=13C, no=1625, id=1580, vol=1.460000e+05
assign (segid "   A" and resid   20 and name HD22) (segid "   A" and resid   20 and name   HA) 2.845 1.012 1.012 weight 1.000 ! spec=13C, no=1630, id=1584, vol=1.360000e+05
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   20 and name   HA) 3.505 1.536 1.536 weight 1.000 ! spec=13C, no=1633, id=1587, vol=3.890000e+04
assign (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   20 and name  HB2) 2.355 0.693 0.693 weight 1.000 ! spec=13C, no=1636, id=1589, vol=4.230000e+05
assign (segid "   A" and resid   20 and name HD22) (segid "   A" and resid   20 and name  HB2) 2.332 0.680 0.680 weight 1.000 ! spec=13C, no=1637, id=1590, vol=4.490000e+05
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name   HA) 2.943 1.083 1.083 weight 1.000 ! spec=13C, no=1638, id=1591, vol=1.110000e+05
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name  HB2) 4.500 2.531 2.531 weight 1.000 ! spec=13C, no=1639, id=1592, vol=8.690000e+03
assign (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   20 and name  HB1) 3.300 1.361 1.361 weight 1.000 ! spec=13C, no=1641, id=1593, vol=5.590000e+04
assign (segid "   A" and resid   20 and name HD22) (segid "   A" and resid   20 and name  HB1) 2.094 0.548 0.548 weight 1.000 ! spec=13C, no=1642, id=1594, vol=8.560000e+05
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   20 and name  HB1) 2.718 0.923 0.923 weight 1.000 ! spec=13C, no=1643, id=1595, vol=1.790000e+05
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   20 and name   HG) 3.228 1.302 1.302 weight 1.000 ! spec=13C, no=1644, id=1596, vol=6.380000e+04
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   20 and name   HG) 4.582 2.624 2.624 weight 1.000 ! spec=13C, no=1645, id=1597, vol=7.800000e+03
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name   HG) 6.604 5.451 5.451 weight 1.000 ! spec=13C, no=1646, id=1598, vol=8.700000e+02
assign (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   20 and name   HG) 2.135 0.570 0.570 weight 1.000 ! spec=13C, no=1647, id=1599, vol=7.610000e+05
assign (segid "   A" and resid   20 and name HD22) (segid "   A" and resid   20 and name   HG) 2.061 0.531 0.531 weight 1.000 ! spec=13C, no=1648, id=1600, vol=9.400000e+05
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   20 and name   HG) 3.139 1.232 1.232 weight 1.000 ! spec=13C, no=1649, id=1601, vol=7.540000e+04
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   20 and name HD12) 3.625 1.642 1.642 weight 1.000 ! spec=13C, no=1650, id=1602, vol=3.180000e+04
assign (segid "   A" and resid   18 and name  HG1) (segid "   A" and resid   20 and name HD12) 3.606 1.626 1.626 weight 1.000 ! spec=13C, no=1651, id=1603, vol=3.280000e+04
assign (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   20 and name   HA) 3.843 1.846 1.846 weight 1.000 ! spec=13C, no=1652, id=1604, vol=2.240000e+04
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   20 and name HD12) 4.241 2.248 2.248 weight 1.000 ! spec=13C, no=1657, id=1608, vol=1.240000e+04
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   20 and name HD12) 3.149 1.239 1.239 weight 1.000 ! spec=13C, no=1658, id=1609, vol=7.400000e+04
assign (segid "   A" and resid   20 and name HD22) (segid "   A" and resid   20 and name HD12) 2.211 0.611 0.611 weight 1.000 ! spec=13C, no=1662, id=1613, vol=6.180000e+05
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   21 and name   HN) 3.648 1.664 1.664 weight 1.000 ! spec=13C, no=1664, id=1614, vol=3.060000e+04
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name   HN) 2.330 0.679 0.679 weight 1.000 ! spec=13C, no=1665, id=1615, vol=4.510000e+05
assign (segid "   A" and resid   21 and name  HB2) (segid "   A" and resid   21 and name   HN) 3.007 1.131 1.131 weight 1.000 ! spec=13C, no=1666, id=1616, vol=9.750000e+04
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   21 and name   HN) 2.922 1.067 1.067 weight 1.000 ! spec=13C, no=1667, id=1617, vol=1.160000e+05
assign (segid "   A" and resid   24 and name  HA1) (segid "   A" and resid   21 and name   HA) 3.843 1.846 1.846 weight 1.000 ! spec=13C, no=1671, id=1620, vol=2.240000e+04
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   21 and name  HB2) 3.919 1.920 1.920 weight 1.000 ! spec=13C, no=1672, id=1621, vol=1.990000e+04
assign (segid "   A" and resid   21 and name  HB2) (segid "   A" and resid   21 and name   HA) 3.654 1.669 1.669 weight 1.000 ! spec=13C, no=1673, id=1622, vol=3.030000e+04
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   21 and name  HB2) 2.350 0.691 0.691 weight 1.000 ! spec=13C, no=1675, id=1623, vol=4.280000e+05
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   21 and name   HA) 2.926 1.070 1.070 weight 1.000 ! spec=13C, no=1676, id=1624, vol=1.150000e+05
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name  HD1) 2.616 0.856 0.856 weight 1.000 ! spec=13C, no=1679, id=1626, vol=2.250000e+05
assign (segid "   A" and resid   21 and name  HB2) (segid "   A" and resid   21 and name  HD1) 3.032 1.149 1.149 weight 1.000 ! spec=13C, no=1680, id=1627, vol=9.280000e+04
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   21 and name  HD1) 3.544 1.570 1.570 weight 1.000 ! spec=13C, no=1681, id=1628, vol=3.640000e+04
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name   HN) 4.487 2.517 2.517 weight 1.000 ! spec=13C, no=1682, id=1629, vol=8.840000e+03
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name   HN) 4.295 2.305 2.305 weight 1.000 ! spec=13C, no=1683, id=1630, vol=1.150000e+04
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   22 and name   HN) 2.926 1.070 1.070 weight 1.000 ! spec=13C, no=1684, id=1631, vol=1.150000e+05
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name   HA) 2.856 1.019 1.019 weight 1.000 ! spec=13C, no=1687, id=1633, vol=1.330000e+05
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   22 and name   HA) 2.551 0.813 0.813 weight 1.000 ! spec=13C, no=1688, id=1634, vol=2.620000e+05
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   22 and name  HB2) 2.990 1.117 1.117 weight 1.000 ! spec=13C, no=1692, id=1637, vol=1.010000e+05
assign (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   22 and name  HB2) 4.326 2.340 2.340 weight 1.000 ! spec=13C, no=1693, id=1638, vol=1.100000e+04
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   22 and name  HB2) 2.546 0.810 0.810 weight 1.000 ! spec=13C, no=1694, id=1639, vol=2.650000e+05
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   23 and name   HN) 2.509 0.787 0.787 weight 1.000 ! spec=13C, no=1698, id=1642, vol=2.890000e+05
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   23 and name   HN) 2.200 0.605 0.605 weight 1.000 ! spec=13C, no=1699, id=1643, vol=6.360000e+05
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   23 and name   HN) 2.191 0.600 0.600 weight 1.000 ! spec=13C, no=1700, id=1644, vol=6.520000e+05
assign (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   23 and name   HN) 3.092 1.195 1.195 weight 1.000 ! spec=13C, no=1702, id=1646, vol=8.250000e+04
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name   HN) 2.404 0.722 0.722 weight 1.000 ! spec=13C, no=1703, id=1647, vol=3.740000e+05
assign (segid "   A" and resid   23 and name  HG1) (segid "   A" and resid   23 and name   HN) 1.990 0.495 0.495 weight 1.000 ! spec=13C, no=1704, id=1648, vol=1.160000e+06
assign (segid "   A" and resid   24 and name  HA1) (segid "   A" and resid   23 and name   HN) 3.654 1.669 1.669 weight 1.000 ! spec=13C, no=1705, id=1649, vol=3.030000e+04
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name   HA) 2.646 0.875 0.875 weight 1.000 ! spec=13C, no=1708, id=1651, vol=2.100000e+05
assign (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   23 and name   HA) 2.524 0.796 0.796 weight 1.000 ! spec=13C, no=1710, id=1653, vol=2.790000e+05
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name  HB2) 1.676 0.351 0.351 weight 1.000 ! spec=13C, no=1712, id=1654, vol=3.260000e+06
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   23 and name  HG2) 2.926 1.070 1.070 weight 1.000 ! spec=13C, no=1716, id=1657, vol=1.150000e+05
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name  HG2) 2.442 0.746 0.746 weight 1.000 ! spec=13C, no=1717, id=1658, vol=3.400000e+05
assign (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   23 and name  HG2) 2.074 0.538 0.538 weight 1.000 ! spec=13C, no=1718, id=1659, vol=9.070000e+05
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name  HG2) 2.157 0.581 0.581 weight 1.000 ! spec=13C, no=1719, id=1660, vol=7.170000e+05
assign (segid "   A" and resid   23 and name  HG1) (segid "   A" and resid   23 and name   HA) 2.329 0.678 0.678 weight 1.000 ! spec=13C, no=1721, id=1662, vol=4.520000e+05
assign (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   23 and name  HG1) 2.225 0.619 0.619 weight 1.000 ! spec=13C, no=1722, id=1663, vol=5.950000e+05
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name  HG1) 2.157 0.581 0.581 weight 1.000 ! spec=13C, no=1723, id=1664, vol=7.170000e+05
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   24 and name   HN) 2.744 0.941 0.941 weight 1.000 ! spec=13C, no=1726, id=1666, vol=1.690000e+05
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   24 and name  HA1) 3.018 1.138 1.138 weight 1.000 ! spec=13C, no=1732, id=1670, vol=9.550000e+04
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   24 and name  HA1) 2.966 1.100 1.100 weight 1.000 ! spec=13C, no=1735, id=1671, vol=1.060000e+05
assign (segid "   A" and resid   24 and name  HA1) (segid "   A" and resid   25 and name   HN) 3.454 1.491 1.491 weight 1.000 ! spec=13C, no=1736, id=1672, vol=4.250000e+04
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name   HN) 2.852 1.017 1.017 weight 1.000 ! spec=13C, no=1737, id=1673, vol=1.340000e+05
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name   HA) 2.434 0.741 0.741 weight 1.000 ! spec=13C, no=1740, id=1675, vol=3.470000e+05
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name   HN) 3.389 1.436 1.436 weight 1.000 ! spec=13C, no=1744, id=1678, vol=4.760000e+04
assign (segid "   A" and resid   26 and name  HG2) (segid "   A" and resid   26 and name   HN) 2.720 0.925 0.925 weight 1.000 ! spec=13C, no=1746, id=1680, vol=1.780000e+05
assign (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   26 and name   HN) 2.551 0.813 0.813 weight 1.000 ! spec=13C, no=1747, id=1681, vol=2.620000e+05
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name   HA) 3.209 1.287 1.287 weight 1.000 ! spec=13C, no=1754, id=1687, vol=6.610000e+04
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name  HB2) 2.002 0.501 0.501 weight 1.000 ! spec=13C, no=1756, id=1688, vol=1.120000e+06
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   26 and name  HB1) 3.399 1.444 1.444 weight 1.000 ! spec=13C, no=1759, id=1691, vol=4.680000e+04
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name   HA) 3.352 1.404 1.404 weight 1.000 ! spec=13C, no=1760, id=1692, vol=5.090000e+04
assign (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   26 and name  HB1) 2.689 0.904 0.904 weight 1.000 ! spec=13C, no=1764, id=1695, vol=1.910000e+05
assign (segid "   A" and resid   27 and name  HA1) (segid "   A" and resid   26 and name  HB1) 2.934 1.076 1.076 weight 1.000 ! spec=13C, no=1765, id=1696, vol=1.130000e+05
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   26 and name  HB1) 4.264 2.273 2.273 weight 1.000 ! spec=13C, no=1766, id=1697, vol=1.200000e+04
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   26 and name  HB1) 4.954 3.068 3.068 weight 1.000 ! spec=13C, no=1767, id=1698, vol=4.880000e+03
assign (segid "   A" and resid   26 and name  HG2) (segid "   A" and resid   26 and name   HA) 2.897 1.049 1.049 weight 1.000 ! spec=13C, no=1768, id=1699, vol=1.220000e+05
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name  HG2) 3.169 1.256 1.256 weight 1.000 ! spec=13C, no=1769, id=1700, vol=7.120000e+04
assign (segid "   A" and resid   26 and name  HG2) (segid "   A" and resid   26 and name  HB1) 2.882 1.038 1.038 weight 1.000 ! spec=13C, no=1770, id=1701, vol=1.260000e+05
assign (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   26 and name  HG2) 1.692 0.358 0.358 weight 1.000 ! spec=13C, no=1772, id=1702, vol=3.070000e+06
assign (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   26 and name   HA) 2.691 0.905 0.905 weight 1.000 ! spec=13C, no=1774, id=1704, vol=1.900000e+05
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name  HG1) 2.744 0.941 0.941 weight 1.000 ! spec=13C, no=1775, id=1705, vol=1.690000e+05
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name  HE2) 3.375 1.424 1.424 weight 1.000 ! spec=13C, no=1777, id=1707, vol=4.880000e+04
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   27 and name  HA1) 2.930 1.073 1.073 weight 1.000 ! spec=13C, no=1779, id=1709, vol=1.140000e+05
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   27 and name  HA1) 3.721 1.730 1.730 weight 1.000 ! spec=13C, no=1783, id=1711, vol=2.720000e+04
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   27 and name  HA1) 4.048 2.048 2.048 weight 1.000 ! spec=13C, no=1784, id=1712, vol=1.640000e+04
assign (segid "   A" and resid   28 and name HD12) (segid "   A" and resid   27 and name  HA1) 3.318 1.376 1.376 weight 1.000 ! spec=13C, no=1787, id=1713, vol=5.410000e+04
assign (segid "   A" and resid   29 and name HD12) (segid "   A" and resid   28 and name   HA) 6.476 5.242 5.242 weight 1.000 ! spec=13C, no=1801, id=1726, vol=9.780000e+02
assign (segid "   A" and resid   29 and name   HG) (segid "   A" and resid   28 and name   HA) 2.948 1.086 1.086 weight 1.000 ! spec=13C, no=1802, id=1727, vol=1.100000e+05
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   28 and name   HB) 2.356 0.694 0.694 weight 1.000 ! spec=13C, no=1803, id=1728, vol=4.220000e+05
assign (segid "   A" and resid   28 and name   HB) (segid "   A" and resid   28 and name   HA) 3.223 1.298 1.298 weight 1.000 ! spec=13C, no=1804, id=1729, vol=6.440000e+04
assign (segid "   A" and resid   28 and name HG12) (segid "   A" and resid   28 and name   HB) 2.211 0.611 0.611 weight 1.000 ! spec=13C, no=1807, id=1731, vol=6.170000e+05
assign (segid "   A" and resid   28 and name HG12) (segid "   A" and resid   28 and name   HA) 2.917 1.064 1.064 weight 1.000 ! spec=13C, no=1809, id=1733, vol=1.170000e+05
assign (segid "   A" and resid   28 and name HD12) (segid "   A" and resid   28 and name HG12) 2.406 0.724 0.724 weight 1.000 ! spec=13C, no=1811, id=1735, vol=3.720000e+05
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name HG11) 3.030 1.147 1.147 weight 1.000 ! spec=13C, no=1814, id=1737, vol=9.330000e+04
assign (segid "   A" and resid   28 and name   HB) (segid "   A" and resid   28 and name HG11) 2.471 0.763 0.763 weight 1.000 ! spec=13C, no=1815, id=1738, vol=3.170000e+05
assign (segid "   A" and resid   28 and name HD12) (segid "   A" and resid   28 and name HG11) 2.486 0.772 0.772 weight 1.000 ! spec=13C, no=1816, id=1739, vol=3.060000e+05
assign (segid "   A" and resid   28 and name HG12) (segid "   A" and resid   28 and name HG11) 2.477 0.767 0.767 weight 1.000 ! spec=13C, no=1817, id=1740, vol=3.120000e+05
assign (segid "   A" and resid   30 and name  HA1) (segid "   A" and resid   28 and name HG11) 4.137 2.139 2.139 weight 1.000 ! spec=13C, no=1818, id=1741, vol=1.440000e+04
assign (segid "   A" and resid   28 and name HD12) (segid "   A" and resid   28 and name   HA) 3.006 1.129 1.129 weight 1.000 ! spec=13C, no=1819, id=1742, vol=9.780000e+04
assign (segid "   A" and resid   28 and name HD12) (segid "   A" and resid   28 and name   HB) 2.322 0.674 0.674 weight 1.000 ! spec=13C, no=1820, id=1743, vol=4.600000e+05
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   28 and name HD12) 4.008 2.008 2.008 weight 1.000 ! spec=13C, no=1822, id=1744, vol=1.740000e+04
assign (segid "   A" and resid   28 and name HG22) (segid "   A" and resid   28 and name   HA) 3.006 1.129 1.129 weight 1.000 ! spec=13C, no=1823, id=1745, vol=9.780000e+04
assign (segid "   A" and resid   28 and name HG22) (segid "   A" and resid   28 and name   HB) 2.329 0.678 0.678 weight 1.000 ! spec=13C, no=1824, id=1746, vol=4.520000e+05
assign (segid "   A" and resid   28 and name HD12) (segid "   A" and resid   28 and name HG22) 2.442 0.746 0.746 weight 1.000 ! spec=13C, no=1825, id=1747, vol=3.400000e+05
assign (segid "   A" and resid   28 and name HG22) (segid "   A" and resid   28 and name HG12) 2.607 0.849 0.849 weight 1.000 ! spec=13C, no=1826, id=1748, vol=2.300000e+05
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   29 and name   HN) 3.786 1.792 1.792 weight 1.000 ! spec=13C, no=1828, id=1749, vol=2.450000e+04
assign (segid "   A" and resid   28 and name   HB) (segid "   A" and resid   29 and name   HN) 3.043 1.158 1.158 weight 1.000 ! spec=13C, no=1829, id=1750, vol=9.080000e+04
assign (segid "   A" and resid   28 and name HD12) (segid "   A" and resid   29 and name   HN) 2.720 0.925 0.925 weight 1.000 ! spec=13C, no=1830, id=1751, vol=1.780000e+05
assign (segid "   A" and resid   28 and name HG22) (segid "   A" and resid   29 and name   HN) 2.961 1.096 1.096 weight 1.000 ! spec=13C, no=1831, id=1752, vol=1.070000e+05
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name   HN) 2.752 0.947 0.947 weight 1.000 ! spec=13C, no=1832, id=1753, vol=1.660000e+05
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name   HN) 3.923 1.923 1.923 weight 1.000 ! spec=13C, no=1834, id=1755, vol=1.980000e+04
assign (segid "   A" and resid   29 and name HD12) (segid "   A" and resid   29 and name   HN) 2.971 1.103 1.103 weight 1.000 ! spec=13C, no=1835, id=1756, vol=1.050000e+05
assign (segid "   A" and resid   29 and name HD22) (segid "   A" and resid   29 and name   HN) 2.614 0.854 0.854 weight 1.000 ! spec=13C, no=1836, id=1757, vol=2.260000e+05
assign (segid "   A" and resid   29 and name   HG) (segid "   A" and resid   29 and name   HN) 2.812 0.988 0.988 weight 1.000 ! spec=13C, no=1837, id=1758, vol=1.460000e+05
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   29 and name   HA) 3.427 1.468 1.468 weight 1.000 ! spec=13C, no=1839, id=1760, vol=4.450000e+04
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name   HA) 3.454 1.491 1.491 weight 1.000 ! spec=13C, no=1841, id=1761, vol=4.250000e+04
assign (segid "   A" and resid   29 and name   HG) (segid "   A" and resid   29 and name   HA) 2.917 1.064 1.064 weight 1.000 ! spec=13C, no=1845, id=1765, vol=1.170000e+05
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name  HB2) 2.464 0.759 0.759 weight 1.000 ! spec=13C, no=1848, id=1767, vol=3.220000e+05
assign (segid "   A" and resid   29 and name HD12) (segid "   A" and resid   29 and name  HB2) 2.330 0.679 0.679 weight 1.000 ! spec=13C, no=1849, id=1768, vol=4.510000e+05
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name   HA) 2.341 0.685 0.685 weight 1.000 ! spec=13C, no=1852, id=1771, vol=4.380000e+05
assign (segid "   A" and resid   29 and name HD22) (segid "   A" and resid   29 and name  HB1) 2.305 0.664 0.664 weight 1.000 ! spec=13C, no=1856, id=1774, vol=4.810000e+05
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name   HG) 3.084 1.189 1.189 weight 1.000 ! spec=13C, no=1859, id=1777, vol=8.390000e+04
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name   HG) 3.642 1.658 1.658 weight 1.000 ! spec=13C, no=1860, id=1778, vol=3.090000e+04
assign (segid "   A" and resid   29 and name HD12) (segid "   A" and resid   29 and name   HG) 2.194 0.602 0.602 weight 1.000 ! spec=13C, no=1861, id=1779, vol=6.470000e+05
assign (segid "   A" and resid   29 and name HD22) (segid "   A" and resid   29 and name   HG) 2.305 0.664 0.664 weight 1.000 ! spec=13C, no=1862, id=1780, vol=4.810000e+05
assign (segid "   A" and resid   33 and name  HG2) (segid "   A" and resid   29 and name   HG) 2.110 0.557 0.557 weight 1.000 ! spec=13C, no=1864, id=1781, vol=8.170000e+05
assign (segid "   A" and resid   29 and name HD12) (segid "   A" and resid   29 and name   HA) 3.041 1.156 1.156 weight 1.000 ! spec=13C, no=1865, id=1782, vol=9.130000e+04
assign (segid "   A" and resid   29 and name HD12) (segid "   A" and resid   29 and name  HB1) 3.378 1.426 1.426 weight 1.000 ! spec=13C, no=1867, id=1784, vol=4.860000e+04
assign (segid "   A" and resid   33 and name  HG2) (segid "   A" and resid   29 and name HD12) 1.990 0.495 0.495 weight 1.000 ! spec=13C, no=1871, id=1787, vol=1.160000e+06
assign (segid "   A" and resid   27 and name  HA1) (segid "   A" and resid   29 and name HD22) 3.398 1.443 1.443 weight 1.000 ! spec=13C, no=1872, id=1788, vol=4.690000e+04
assign (segid "   A" and resid   29 and name HD22) (segid "   A" and resid   29 and name   HA) 2.985 1.114 1.114 weight 1.000 ! spec=13C, no=1873, id=1789, vol=1.020000e+05
assign (segid "   A" and resid   29 and name HD22) (segid "   A" and resid   29 and name  HB2) 2.997 1.123 1.123 weight 1.000 ! spec=13C, no=1874, id=1790, vol=9.960000e+04
assign (segid "   A" and resid   30 and name  HA1) (segid "   A" and resid   29 and name HD22) 3.964 1.964 1.964 weight 1.000 ! spec=13C, no=1879, id=1794, vol=1.860000e+04
assign (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   29 and name HD22) 2.809 0.986 0.986 weight 1.000 ! spec=13C, no=1880, id=1795, vol=1.470000e+05
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   29 and name HD22) 2.194 0.602 0.602 weight 1.000 ! spec=13C, no=1881, id=1796, vol=6.460000e+05
assign (segid "   A" and resid   30 and name  HA1) (segid "   A" and resid   30 and name   HN) 3.172 1.258 1.258 weight 1.000 ! spec=13C, no=1882, id=1797, vol=7.080000e+04
assign (segid "   A" and resid   28 and name HG22) (segid "   A" and resid   30 and name  HA1) 3.450 1.488 1.488 weight 1.000 ! spec=13C, no=1885, id=1798, vol=4.280000e+04
assign (segid "   A" and resid   29 and name   HG) (segid "   A" and resid   30 and name  HA1) 3.496 1.528 1.528 weight 1.000 ! spec=13C, no=1886, id=1799, vol=3.950000e+04
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   31 and name   HA) 2.821 0.995 0.995 weight 1.000 ! spec=13C, no=1893, id=1803, vol=1.430000e+05
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   31 and name   HA) 2.821 0.995 0.995 weight 1.000 ! spec=13C, no=1894, id=1804, vol=1.430000e+05
assign (segid "   A" and resid   28 and name HG12) (segid "   A" and resid   31 and name  HB2) 3.840 1.843 1.843 weight 1.000 ! spec=13C, no=1895, id=1805, vol=2.250000e+04
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   31 and name  HB2) 1.742 0.379 0.379 weight 1.000 ! spec=13C, no=1898, id=1807, vol=2.580000e+06
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   31 and name  HB2) 2.882 1.038 1.038 weight 1.000 ! spec=13C, no=1899, id=1808, vol=1.260000e+05
assign (segid "   A" and resid   28 and name   HB) (segid "   A" and resid   31 and name  HB1) 4.012 2.012 2.012 weight 1.000 ! spec=13C, no=1901, id=1810, vol=1.730000e+04
assign (segid "   A" and resid   34 and name  HG2) (segid "   A" and resid   31 and name  HB1) 4.516 2.550 2.550 weight 1.000 ! spec=13C, no=1905, id=1813, vol=8.500000e+03
assign (segid "   A" and resid   34 and name  HG1) (segid "   A" and resid   32 and name  HA1) 5.343 3.569 3.569 weight 1.000 ! spec=13C, no=1912, id=1818, vol=3.100000e+03
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   33 and name   HN) 2.197 0.604 0.604 weight 1.000 ! spec=13C, no=1919, id=1823, vol=6.410000e+05
assign (segid "   A" and resid   33 and name  HG2) (segid "   A" and resid   33 and name   HN) 2.075 0.538 0.538 weight 1.000 ! spec=13C, no=1920, id=1824, vol=9.050000e+05
assign (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   33 and name   HA) 2.701 0.912 0.912 weight 1.000 ! spec=13C, no=1922, id=1825, vol=1.860000e+05
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   33 and name   HA) 2.408 0.725 0.725 weight 1.000 ! spec=13C, no=1923, id=1826, vol=3.700000e+05
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   33 and name  HB2) 1.709 0.365 0.365 weight 1.000 ! spec=13C, no=1927, id=1829, vol=2.900000e+06
assign (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   33 and name  HB1) 2.420 0.732 0.732 weight 1.000 ! spec=13C, no=1933, id=1834, vol=3.590000e+05
assign (segid "   A" and resid   30 and name  HA1) (segid "   A" and resid   33 and name  HG2) 3.301 1.362 1.362 weight 1.000 ! spec=13C, no=1934, id=1835, vol=5.580000e+04
assign (segid "   A" and resid   33 and name  HG2) (segid "   A" and resid   33 and name   HA) 2.664 0.887 0.887 weight 1.000 ! spec=13C, no=1935, id=1836, vol=2.020000e+05
assign (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   33 and name  HG2) 2.075 0.538 0.538 weight 1.000 ! spec=13C, no=1936, id=1837, vol=9.040000e+05
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   33 and name  HG2) 1.800 0.405 0.405 weight 1.000 ! spec=13C, no=1937, id=1838, vol=2.120000e+06
assign (segid "   A" and resid   28 and name   HB) (segid "   A" and resid   33 and name  HG1) 3.312 1.371 1.371 weight 1.000 ! spec=13C, no=1940, id=1840, vol=5.470000e+04
assign (segid "   A" and resid   29 and name HD22) (segid "   A" and resid   33 and name  HG1) 2.985 1.114 1.114 weight 1.000 ! spec=13C, no=1941, id=1841, vol=1.020000e+05
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   33 and name  HG1) 3.718 1.728 1.728 weight 1.000 ! spec=13C, no=1942, id=1842, vol=2.730000e+04
assign (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   33 and name  HG1) 2.234 0.624 0.624 weight 1.000 ! spec=13C, no=1943, id=1843, vol=5.810000e+05
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   33 and name  HG1) 3.096 1.198 1.198 weight 1.000 ! spec=13C, no=1944, id=1844, vol=8.200000e+04
assign (segid "   A" and resid   33 and name  HG2) (segid "   A" and resid   33 and name  HG1) 1.553 0.301 0.301 weight 1.000 ! spec=13C, no=1945, id=1845, vol=5.150000e+06
assign (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid   34 and name   HA) 3.837 1.841 1.841 weight 1.000 ! spec=13C, no=1954, id=1853, vol=2.260000e+04
assign (segid "   A" and resid   34 and name  HG2) (segid "   A" and resid   34 and name   HA) 4.235 2.242 2.242 weight 1.000 ! spec=13C, no=1955, id=1854, vol=1.250000e+04
assign (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   34 and name  HB2) 2.852 1.017 1.017 weight 1.000 ! spec=13C, no=1958, id=1857, vol=1.340000e+05
assign (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   34 and name   HA) 2.705 0.915 0.915 weight 1.000 ! spec=13C, no=1959, id=1858, vol=1.840000e+05
assign (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   34 and name  HB2) 2.069 0.535 0.535 weight 1.000 ! spec=13C, no=1961, id=1859, vol=9.210000e+05
assign (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid   34 and name  HB2) 2.825 0.997 0.997 weight 1.000 ! spec=13C, no=1962, id=1860, vol=1.420000e+05
assign (segid "   A" and resid   37 and name  HB1) (segid "   A" and resid   34 and name  HB2) 3.953 1.954 1.954 weight 1.000 ! spec=13C, no=1963, id=1861, vol=1.890000e+04
assign (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   34 and name   HA) 2.696 0.908 0.908 weight 1.000 ! spec=13C, no=1964, id=1862, vol=1.880000e+05
assign (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid   34 and name  HD1) 2.825 0.997 0.997 weight 1.000 ! spec=13C, no=1967, id=1864, vol=1.420000e+05
assign (segid "   A" and resid   34 and name  HG2) (segid "   A" and resid   34 and name  HD1) 2.752 0.947 0.947 weight 1.000 ! spec=13C, no=1968, id=1865, vol=1.660000e+05
assign (segid "   A" and resid   34 and name  HG1) (segid "   A" and resid   34 and name  HD1) 2.878 1.035 1.035 weight 1.000 ! spec=13C, no=1969, id=1866, vol=1.270000e+05
assign (segid "   A" and resid   34 and name  HG1) (segid "   A" and resid   34 and name  HE1) 3.498 1.529 1.529 weight 1.000 ! spec=13C, no=1975, id=1871, vol=3.940000e+04
assign (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   34 and name  HG2) 3.834 1.838 1.838 weight 1.000 ! spec=13C, no=1977, id=1873, vol=2.270000e+04
assign (segid "   A" and resid   34 and name  HG2) (segid "   A" and resid   34 and name  HE1) 3.621 1.639 1.639 weight 1.000 ! spec=13C, no=1979, id=1875, vol=3.200000e+04
assign (segid "   A" and resid   34 and name  HG1) (segid "   A" and resid   34 and name   HA) 3.804 1.809 1.809 weight 1.000 ! spec=13C, no=1980, id=1876, vol=2.380000e+04
assign (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   34 and name  HG1) 3.451 1.489 1.489 weight 1.000 ! spec=13C, no=1981, id=1877, vol=4.270000e+04
assign (segid "   A" and resid   34 and name  HG2) (segid "   A" and resid   34 and name  HG1) 2.480 0.769 0.769 weight 1.000 ! spec=13C, no=1984, id=1880, vol=3.100000e+05
assign (segid "   A" and resid   37 and name  HB1) (segid "   A" and resid   35 and name   HN) 2.557 0.817 0.817 weight 1.000 ! spec=13C, no=1987, id=1882, vol=2.580000e+05
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name   HN) 2.222 0.617 0.617 weight 1.000 ! spec=13C, no=1995, id=1888, vol=6.000000e+05
assign (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   36 and name   HN) 2.517 0.792 0.792 weight 1.000 ! spec=13C, no=1996, id=1889, vol=2.840000e+05
assign (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   36 and name   HA) 2.524 0.796 0.796 weight 1.000 ! spec=13C, no=1999, id=1891, vol=2.790000e+05
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   36 and name   HA) 2.874 1.033 1.033 weight 1.000 ! spec=13C, no=2000, id=1892, vol=1.280000e+05
assign (segid "   A" and resid   39 and name  HD2) (segid "   A" and resid   36 and name   HA) 5.604 3.925 3.925 weight 1.000 ! spec=13C, no=2003, id=1895, vol=2.330000e+03
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   36 and name  HB1) 2.793 0.975 0.975 weight 1.000 ! spec=13C, no=2007, id=1898, vol=1.520000e+05
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   36 and name  HB2) 1.562 0.305 0.305 weight 1.000 ! spec=13C, no=2009, id=1900, vol=4.970000e+06
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   36 and name  HB1) 2.710 0.918 0.918 weight 1.000 ! spec=13C, no=2011, id=1901, vol=1.820000e+05
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name   HN) 3.203 1.282 1.282 weight 1.000 ! spec=13C, no=2012, id=1902, vol=6.680000e+04
assign (segid "   A" and resid   37 and name  HB1) (segid "   A" and resid   37 and name   HA) 3.224 1.300 1.300 weight 1.000 ! spec=13C, no=2016, id=1905, vol=6.420000e+04
assign (segid "   A" and resid   37 and name  HG1) (segid "   A" and resid   37 and name   HA) 3.292 1.355 1.355 weight 1.000 ! spec=13C, no=2017, id=1906, vol=5.670000e+04
assign (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   37 and name   HA) 5.207 3.389 3.389 weight 1.000 ! spec=13C, no=2018, id=1907, vol=3.620000e+03
assign (segid "   A" and resid   38 and name  HE2) (segid "   A" and resid   37 and name  HB1) 2.701 0.912 0.912 weight 1.000 ! spec=13C, no=2022, id=1910, vol=1.860000e+05
assign (segid "   A" and resid   37 and name  HG1) (segid "   A" and resid   37 and name  HB1) 1.879 0.441 0.441 weight 1.000 ! spec=13C, no=2024, id=1912, vol=1.640000e+06
assign (segid "   A" and resid   38 and name  HE2) (segid "   A" and resid   37 and name  HG1) 3.718 1.728 1.728 weight 1.000 ! spec=13C, no=2026, id=1913, vol=2.730000e+04
assign (segid "   A" and resid   37 and name  HG1) (segid "   A" and resid   38 and name   HN) 3.137 1.230 1.230 weight 1.000 ! spec=13C, no=2027, id=1914, vol=7.570000e+04
assign (segid "   A" and resid   38 and name  HG2) (segid "   A" and resid   38 and name   HN) 1.968 0.484 0.484 weight 1.000 ! spec=13C, no=2032, id=1919, vol=1.240000e+06
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   38 and name   HN) 3.184 1.267 1.267 weight 1.000 ! spec=13C, no=2033, id=1920, vol=6.930000e+04
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   38 and name   HA) 3.866 1.869 1.869 weight 1.000 ! spec=13C, no=2034, id=1921, vol=2.160000e+04
assign (segid "   A" and resid   37 and name  HG1) (segid "   A" and resid   38 and name   HA) 3.470 1.505 1.505 weight 1.000 ! spec=13C, no=2035, id=1922, vol=4.130000e+04
assign (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   38 and name   HA) 2.541 0.807 0.807 weight 1.000 ! spec=13C, no=2037, id=1923, vol=2.680000e+05
assign (segid "   A" and resid   38 and name  HD2) (segid "   A" and resid   38 and name   HA) 2.905 1.055 1.055 weight 1.000 ! spec=13C, no=2038, id=1924, vol=1.200000e+05
assign (segid "   A" and resid   38 and name  HG2) (segid "   A" and resid   38 and name   HA) 2.133 0.568 0.568 weight 1.000 ! spec=13C, no=2040, id=1926, vol=7.670000e+05
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   38 and name   HA) 3.302 1.363 1.363 weight 1.000 ! spec=13C, no=2041, id=1927, vol=5.570000e+04
assign (segid "   A" and resid   38 and name  HD2) (segid "   A" and resid   38 and name  HB2) 2.211 0.611 0.611 weight 1.000 ! spec=13C, no=2045, id=1930, vol=6.170000e+05
assign (segid "   A" and resid   38 and name  HG2) (segid "   A" and resid   38 and name  HB2) 1.809 0.409 0.409 weight 1.000 ! spec=13C, no=2047, id=1932, vol=2.060000e+06
assign (segid "   A" and resid  111 and name  HB2) (segid "   A" and resid   38 and name  HB2) 2.999 1.124 1.124 weight 1.000 ! spec=13C, no=2048, id=1933, vol=9.910000e+04
assign (segid "   A" and resid  112 and name   HA) (segid "   A" and resid   38 and name  HB2) 3.531 1.559 1.559 weight 1.000 ! spec=13C, no=2049, id=1934, vol=3.720000e+04
assign (segid "   A" and resid   38 and name  HE2) (segid "   A" and resid   38 and name  HD2) 2.605 0.848 0.848 weight 1.000 ! spec=13C, no=2053, id=1937, vol=2.310000e+05
assign (segid "   A" and resid   38 and name  HG2) (segid "   A" and resid   38 and name  HD2) 2.030 0.515 0.515 weight 1.000 ! spec=13C, no=2054, id=1938, vol=1.030000e+06
assign (segid "   A" and resid   38 and name  HE2) (segid "   A" and resid   38 and name   HA) 2.863 1.025 1.025 weight 1.000 ! spec=13C, no=2055, id=1939, vol=1.310000e+05
assign (segid "   A" and resid   38 and name  HE2) (segid "   A" and resid   38 and name  HB2) 3.425 1.466 1.466 weight 1.000 ! spec=13C, no=2056, id=1940, vol=4.470000e+04
assign (segid "   A" and resid   38 and name  HG2) (segid "   A" and resid   38 and name  HE2) 2.495 0.778 0.778 weight 1.000 ! spec=13C, no=2059, id=1942, vol=2.990000e+05
assign (segid "   A" and resid   37 and name  HB1) (segid "   A" and resid   38 and name  HG2) 3.265 1.332 1.332 weight 1.000 ! spec=13C, no=2060, id=1943, vol=5.960000e+04
assign (segid "   A" and resid   37 and name  HB1) (segid "   A" and resid   39 and name   HN) 3.181 1.265 1.265 weight 1.000 ! spec=13C, no=2067, id=1949, vol=6.960000e+04
assign (segid "   A" and resid   37 and name  HG1) (segid "   A" and resid   39 and name   HA) 3.989 1.989 1.989 weight 1.000 ! spec=13C, no=2074, id=1956, vol=1.790000e+04
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   39 and name   HA) 3.781 1.787 1.787 weight 1.000 ! spec=13C, no=2076, id=1957, vol=2.470000e+04
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   39 and name   HA) 4.805 2.886 2.886 weight 1.000 ! spec=13C, no=2078, id=1959, vol=5.860000e+03
assign (segid "   A" and resid  111 and name  HB2) (segid "   A" and resid   39 and name   HA) 3.551 1.576 1.576 weight 1.000 ! spec=13C, no=2079, id=1960, vol=3.600000e+04
assign (segid "   A" and resid  111 and name  HB2) (segid "   A" and resid   39 and name  HB2) 3.026 1.145 1.145 weight 1.000 ! spec=13C, no=2083, id=1963, vol=9.390000e+04
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   39 and name  HD2) 3.615 1.634 1.634 weight 1.000 ! spec=13C, no=2084, id=1964, vol=3.230000e+04
assign (segid "   A" and resid   39 and name  HD2) (segid "   A" and resid   39 and name  HB2) 3.507 1.537 1.537 weight 1.000 ! spec=13C, no=2085, id=1965, vol=3.880000e+04
assign (segid "   A" and resid   39 and name  HG2) (segid "   A" and resid   39 and name   HA) 2.677 0.896 0.896 weight 1.000 ! spec=13C, no=2087, id=1966, vol=1.960000e+05
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   39 and name  HG2) 2.505 0.784 0.784 weight 1.000 ! spec=13C, no=2088, id=1967, vol=2.920000e+05
assign (segid "   A" and resid   39 and name  HD2) (segid "   A" and resid   39 and name  HG2) 4.396 2.415 2.415 weight 1.000 ! spec=13C, no=2089, id=1968, vol=1.000000e+04
assign (segid "   A" and resid   40 and name  HB2) (segid "   A" and resid   40 and name   HN) 4.141 2.144 2.144 weight 1.000 ! spec=13C, no=2094, id=1972, vol=1.430000e+04
assign (segid "   A" and resid   41 and name   HA) (segid "   A" and resid   40 and name   HN) 3.507 1.537 1.537 weight 1.000 ! spec=13C, no=2096, id=1974, vol=3.880000e+04
assign (segid "   A" and resid   41 and name  HB2) (segid "   A" and resid   40 and name   HN) 2.893 1.046 1.046 weight 1.000 ! spec=13C, no=2097, id=1975, vol=1.230000e+05
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   40 and name   HA) 4.137 2.139 2.139 weight 1.000 ! spec=13C, no=2099, id=1977, vol=1.440000e+04
assign (segid "   A" and resid   40 and name  HD2) (segid "   A" and resid   40 and name   HA) 3.986 1.986 1.986 weight 1.000 ! spec=13C, no=2101, id=1978, vol=1.800000e+04
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   40 and name  HB2) 3.799 1.804 1.804 weight 1.000 ! spec=13C, no=2103, id=1980, vol=2.400000e+04
assign (segid "   A" and resid   40 and name  HD2) (segid "   A" and resid   40 and name  HB2) 2.926 1.070 1.070 weight 1.000 ! spec=13C, no=2105, id=1981, vol=1.150000e+05
assign (segid "   A" and resid   41 and name   HA) (segid "   A" and resid   40 and name  HB2) 3.595 1.616 1.616 weight 1.000 ! spec=13C, no=2106, id=1982, vol=3.340000e+04
assign (segid "   B" and resid  227 and name HD12) (segid "   B" and resid  227 and name  HB2) 1.848 0.427 0.427 weight 1.000 ! spec=13C, no=2107, id=1983, vol=1.810000e+06
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   40 and name  HG2) 3.739 1.748 1.748 weight 1.000 ! spec=13C, no=2111, id=1986, vol=2.640000e+04
assign (segid "   A" and resid   40 and name  HD2) (segid "   A" and resid   40 and name  HG2) 2.913 1.061 1.061 weight 1.000 ! spec=13C, no=2112, id=1987, vol=1.180000e+05
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   41 and name   HN) 4.258 2.267 2.267 weight 1.000 ! spec=13C, no=2114, id=1989, vol=1.210000e+04
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   41 and name   HA) 3.191 1.273 1.273 weight 1.000 ! spec=13C, no=2118, id=1993, vol=6.830000e+04
assign (segid "   B" and resid  227 and name HD12) (segid "   A" and resid   41 and name   HA) 3.249 1.320 1.320 weight 1.000 ! spec=13C, no=2121, id=1995, vol=6.130000e+04
assign (segid "   A" and resid   41 and name  HB2) (segid "   A" and resid   41 and name   HA) 3.527 1.555 1.555 weight 1.000 ! spec=13C, no=2123, id=1997, vol=3.750000e+04
assign (segid "   A" and resid   41 and name  HB1) (segid "   A" and resid   41 and name  HB2) 2.109 0.556 0.556 weight 1.000 ! spec=13C, no=2125, id=1998, vol=8.190000e+05
assign (segid "   A" and resid   41 and name  HB1) (segid "   A" and resid   41 and name   HA) 3.286 1.350 1.350 weight 1.000 ! spec=13C, no=2126, id=1999, vol=5.730000e+04
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   42 and name  HB2) 4.181 2.185 2.185 weight 1.000 ! spec=13C, no=2132, id=2003, vol=1.350000e+04
assign (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   42 and name  HB2) 4.855 2.946 2.946 weight 1.000 ! spec=13C, no=2134, id=2004, vol=5.510000e+03
assign (segid "   A" and resid  108 and name  HB1) (segid "   A" and resid   42 and name  HB2) 2.497 0.779 0.779 weight 1.000 ! spec=13C, no=2136, id=2006, vol=2.980000e+05
assign (segid "   A" and resid   41 and name   HA) (segid "   A" and resid   42 and name  HD2) 3.130 1.225 1.225 weight 1.000 ! spec=13C, no=2137, id=2007, vol=7.670000e+04
assign (segid "   A" and resid   41 and name  HB2) (segid "   A" and resid   42 and name  HD2) 3.957 1.957 1.957 weight 1.000 ! spec=13C, no=2138, id=2008, vol=1.880000e+04
assign (segid "   A" and resid   41 and name  HB1) (segid "   A" and resid   42 and name  HD2) 3.818 1.822 1.822 weight 1.000 ! spec=13C, no=2139, id=2009, vol=2.330000e+04
assign (segid "   A" and resid   43 and name  HB2) (segid "   A" and resid   43 and name   HN) 3.107 1.207 1.207 weight 1.000 ! spec=13C, no=2142, id=2012, vol=8.020000e+04
assign (segid "   A" and resid   43 and name  HB2) (segid "   A" and resid   43 and name   HA) 3.243 1.315 1.315 weight 1.000 ! spec=13C, no=2144, id=2013, vol=6.200000e+04
assign (segid "   B" and resid  206 and name   HB) (segid "   A" and resid   43 and name  HB2) 1.993 0.497 0.497 weight 1.000 ! spec=13C, no=2150, id=2018, vol=1.150000e+06
assign (segid "   A" and resid   44 and name  HB2) (segid "   A" and resid   44 and name   HA) 2.229 0.621 0.621 weight 1.000 ! spec=13C, no=2160, id=2026, vol=5.890000e+05
assign (segid "   B" and resid  227 and name HD12) (segid "   A" and resid   44 and name  HB2) 1.822 0.415 0.415 weight 1.000 ! spec=13C, no=2162, id=2028, vol=1.970000e+06
assign (segid "   B" and resid  227 and name   HG) (segid "   A" and resid   44 and name  HB2) 4.247 2.254 2.254 weight 1.000 ! spec=13C, no=2163, id=2029, vol=1.230000e+04
assign (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   45 and name   HN) 3.791 1.797 1.797 weight 1.000 ! spec=13C, no=2164, id=2030, vol=2.430000e+04
assign (segid "   A" and resid   46 and name HD12) (segid "   A" and resid   46 and name   HA) 2.171 0.589 0.589 weight 1.000 ! spec=13C, no=2170, id=2034, vol=6.900000e+05
assign (segid "   A" and resid   46 and name   HA) (segid "   A" and resid   46 and name  HB1) 4.146 2.149 2.149 weight 1.000 ! spec=13C, no=2171, id=2035, vol=1.420000e+04
assign (segid "   A" and resid   46 and name HD12) (segid "   A" and resid   46 and name  HB1) 2.980 1.110 1.110 weight 1.000 ! spec=13C, no=2174, id=2037, vol=1.030000e+05
assign (segid "   A" and resid  105 and name  HD2) (segid "   A" and resid   46 and name HD12) 3.940 1.940 1.940 weight 1.000 ! spec=13C, no=2178, id=2040, vol=1.930000e+04
assign (segid "   A" and resid  105 and name  HG2) (segid "   A" and resid   46 and name HD12) 1.673 0.350 0.350 weight 1.000 ! spec=13C, no=2179, id=2041, vol=3.290000e+06
assign (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   47 and name   HB) 3.292 1.355 1.355 weight 1.000 ! spec=13C, no=2184, id=2045, vol=5.670000e+04
assign (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   48 and name   HA) 4.470 2.498 2.498 weight 1.000 ! spec=13C, no=2189, id=2049, vol=9.040000e+03
assign (segid "   A" and resid   48 and name  HB2) (segid "   A" and resid   48 and name HE22) 2.781 0.967 0.967 weight 1.000 ! spec=13C, no=2197, id=2056, vol=1.560000e+05
assign (segid "   B" and resid  224 and name  HE2) (segid "   B" and resid  224 and name  HG2) 2.287 0.654 0.654 weight 1.000 ! spec=13C, no=2201, id=2060, vol=5.040000e+05
assign (segid "   A" and resid   48 and name  HG2) (segid "   A" and resid   48 and name  HB2) 3.538 1.564 1.564 weight 1.000 ! spec=13C, no=2203, id=2062, vol=3.680000e+04
assign (segid "   B" and resid  231 and name   HG) (segid "   A" and resid   48 and name  HG2) 2.705 0.915 0.915 weight 1.000 ! spec=13C, no=2205, id=2064, vol=1.840000e+05
assign (segid "   A" and resid   48 and name   HA) (segid "   A" and resid   48 and name  HG1) 4.843 2.932 2.932 weight 1.000 ! spec=13C, no=2206, id=2065, vol=5.590000e+03
assign (segid "   A" and resid   48 and name  HB2) (segid "   A" and resid   48 and name  HG1) 2.024 0.512 0.512 weight 1.000 ! spec=13C, no=2207, id=2066, vol=1.050000e+06
assign (segid "   A" and resid   49 and name  HB2) (segid "   A" and resid   49 and name   HA) 9.439 9.439 11.137 weight 1.000 ! spec=13C, no=2208, id=2067, vol=1.020000e+02
assign (segid "   A" and resid  100 and name  HG2) (segid "   A" and resid   49 and name  HB2) 2.909 1.058 1.058 weight 1.000 ! spec=13C, no=2210, id=2068, vol=1.190000e+05
assign (segid "   A" and resid   50 and name  HB2) (segid "   A" and resid   50 and name   HA) 3.120 1.217 1.217 weight 1.000 ! spec=13C, no=2214, id=2071, vol=7.820000e+04
assign (segid "   B" and resid  260 and name  HG2) (segid "   A" and resid   50 and name  HB2) 3.881 1.883 1.883 weight 1.000 ! spec=13C, no=2218, id=2074, vol=2.110000e+04
assign (segid "   A" and resid   51 and name  HE1) (segid "   A" and resid   51 and name   HN) 4.579 2.621 2.621 weight 1.000 ! spec=13C, no=2221, id=2077, vol=7.830000e+03
assign (segid "   A" and resid   51 and name  HE1) (segid "   A" and resid   51 and name   HA) 4.020 2.020 2.020 weight 1.000 ! spec=13C, no=2223, id=2078, vol=1.710000e+04
assign (segid "   A" and resid   51 and name  HB2) (segid "   A" and resid   51 and name   HA) 2.948 1.086 1.086 weight 1.000 ! spec=13C, no=2224, id=2079, vol=1.100000e+05
assign (segid "   A" and resid   52 and name  HB1) (segid "   A" and resid   52 and name  HD1) 3.285 1.349 1.349 weight 1.000 ! spec=13C, no=2226, id=2080, vol=5.740000e+04
assign (segid "   B" and resid  231 and name HD22) (segid "   A" and resid   52 and name  HD1) 3.913 1.914 1.914 weight 1.000 ! spec=13C, no=2227, id=2081, vol=2.010000e+04
assign (segid "   A" and resid   52 and name  HB1) (segid "   A" and resid   52 and name  HG2) 2.208 0.609 0.609 weight 1.000 ! spec=13C, no=2228, id=2082, vol=6.230000e+05
assign (segid "   A" and resid   53 and name   HA) (segid "   A" and resid   53 and name  HB2) 5.280 3.485 3.485 weight 1.000 ! spec=13C, no=2230, id=2083, vol=3.330000e+03
assign (segid "   A" and resid   54 and name  HB1) (segid "   A" and resid   54 and name  HB2) 2.207 0.609 0.609 weight 1.000 ! spec=13C, no=2237, id=2087, vol=6.250000e+05
assign (segid "   A" and resid   51 and name   HA) (segid "   A" and resid   54 and name  HB1) 2.653 0.880 0.880 weight 1.000 ! spec=13C, no=2238, id=2088, vol=2.070000e+05
assign (segid "   A" and resid   54 and name  HB2) (segid "   A" and resid   54 and name  HD1) 3.084 1.189 1.189 weight 1.000 ! spec=13C, no=2241, id=2090, vol=8.390000e+04
assign (segid "   A" and resid   54 and name  HB1) (segid "   A" and resid   54 and name  HD1) 2.998 1.124 1.124 weight 1.000 ! spec=13C, no=2242, id=2091, vol=9.930000e+04
assign (segid "   A" and resid   55 and name  HB2) (segid "   A" and resid   55 and name   HA) 3.160 1.249 1.249 weight 1.000 ! spec=13C, no=2248, id=2096, vol=7.240000e+04
assign (segid "   A" and resid   56 and name   HB) (segid "   A" and resid   56 and name   HN) 4.247 2.254 2.254 weight 1.000 ! spec=13C, no=2253, id=2100, vol=1.230000e+04
assign (segid "   A" and resid   56 and name HG21) (segid "   A" and resid   56 and name   HA) 3.126 1.222 1.222 weight 1.000 ! spec=13C, no=2257, id=2103, vol=7.730000e+04
assign (segid "   A" and resid   56 and name   HB) (segid "   A" and resid   56 and name   HA) 3.913 1.914 1.914 weight 1.000 ! spec=13C, no=2258, id=2104, vol=2.010000e+04
assign (segid "   A" and resid   56 and name HG21) (segid "   A" and resid   56 and name   HB) 4.077 2.078 2.078 weight 1.000 ! spec=13C, no=2260, id=2105, vol=1.570000e+04
assign (segid "   A" and resid   94 and name  HB2) (segid "   A" and resid   56 and name   HB) 2.905 1.055 1.055 weight 1.000 ! spec=13C, no=2262, id=2107, vol=1.200000e+05
assign (segid "   A" and resid   57 and name  HB2) (segid "   A" and resid   57 and name   HA) 3.075 1.182 1.182 weight 1.000 ! spec=13C, no=2269, id=2112, vol=8.540000e+04
assign (segid "   A" and resid   58 and name  HB2) (segid "   A" and resid   58 and name   HA) 3.703 1.714 1.714 weight 1.000 ! spec=13C, no=2276, id=2117, vol=2.800000e+04
assign (segid "   A" and resid   58 and name HD22) (segid "   A" and resid   58 and name   HA) 3.438 1.477 1.477 weight 1.000 ! spec=13C, no=2278, id=2119, vol=4.370000e+04
assign (segid "   A" and resid   58 and name   HG) (segid "   A" and resid   58 and name   HA) 2.567 0.824 0.824 weight 1.000 ! spec=13C, no=2279, id=2120, vol=2.520000e+05
assign (segid "   A" and resid   58 and name HD22) (segid "   A" and resid   58 and name  HB2) 2.691 0.905 0.905 weight 1.000 ! spec=13C, no=2283, id=2123, vol=1.900000e+05
assign (segid "   A" and resid   58 and name  HB1) (segid "   A" and resid   58 and name   HA) 3.457 1.493 1.493 weight 1.000 ! spec=13C, no=2284, id=2124, vol=4.230000e+04
assign (segid "   A" and resid   58 and name  HB2) (segid "   A" and resid   58 and name   HG) 3.860 1.863 1.863 weight 1.000 ! spec=13C, no=2290, id=2129, vol=2.180000e+04
assign (segid "   A" and resid   58 and name   HG) (segid "   A" and resid   58 and name  HB1) 2.624 0.861 0.861 weight 1.000 ! spec=13C, no=2291, id=2130, vol=2.210000e+05
assign (segid "   A" and resid   58 and name HD22) (segid "   A" and resid   58 and name  HB1) 3.111 1.210 1.210 weight 1.000 ! spec=13C, no=2296, id=2134, vol=7.960000e+04
assign (segid "   A" and resid   58 and name HD22) (segid "   A" and resid   58 and name   HG) 2.948 1.086 1.086 weight 1.000 ! spec=13C, no=2298, id=2135, vol=1.100000e+05
assign (segid "   A" and resid   59 and name  HB2) (segid "   A" and resid   59 and name   HA) 2.812 0.988 0.988 weight 1.000 ! spec=13C, no=2303, id=2139, vol=1.460000e+05
assign (segid "   A" and resid   60 and name  HB2) (segid "   A" and resid   60 and name   HA) 2.546 0.810 0.810 weight 1.000 ! spec=13C, no=2310, id=2144, vol=2.650000e+05
assign (segid "   A" and resid   60 and name  HB2) (segid "   A" and resid   60 and name  HD2) 3.171 1.257 1.257 weight 1.000 ! spec=13C, no=2312, id=2145, vol=7.100000e+04
assign (segid "   A" and resid   60 and name  HB2) (segid "   A" and resid   60 and name  HD1) 3.015 1.136 1.136 weight 1.000 ! spec=13C, no=2314, id=2146, vol=9.610000e+04
assign (segid "   A" and resid   60 and name  HB2) (segid "   A" and resid   60 and name  HG2) 2.509 0.787 0.787 weight 1.000 ! spec=13C, no=2316, id=2147, vol=2.890000e+05
assign (segid "   A" and resid   60 and name  HD2) (segid "   A" and resid   60 and name  HG2) 4.435 2.459 2.459 weight 1.000 ! spec=13C, no=2317, id=2148, vol=9.480000e+03
assign (segid "   A" and resid   61 and name   HB) (segid "   A" and resid   61 and name   HA) 3.746 1.754 1.754 weight 1.000 ! spec=13C, no=2322, id=2152, vol=2.610000e+04
assign (segid "   A" and resid   61 and name HG21) (segid "   A" and resid   61 and name   HA) 2.679 0.897 0.897 weight 1.000 ! spec=13C, no=2327, id=2156, vol=1.950000e+05
assign (segid "   A" and resid   61 and name HG21) (segid "   A" and resid   61 and name   HB) 4.639 2.690 2.690 weight 1.000 ! spec=13C, no=2328, id=2157, vol=7.240000e+03
assign (segid "   A" and resid   60 and name  HG2) (segid "   A" and resid   62 and name  HB2) 2.420 0.732 0.732 weight 1.000 ! spec=13C, no=2332, id=2159, vol=3.590000e+05
assign (segid "   A" and resid   62 and name   HA) (segid "   A" and resid   62 and name  HB2) 2.249 0.632 0.632 weight 1.000 ! spec=13C, no=2333, id=2160, vol=5.570000e+05
assign (segid "   A" and resid   63 and name  HB2) (segid "   A" and resid   63 and name   HG) 4.413 2.434 2.434 weight 1.000 ! spec=13C, no=2339, id=2163, vol=9.770000e+03
assign (segid "   A" and resid   63 and name  HB1) (segid "   A" and resid   63 and name   HG) 3.982 1.982 1.982 weight 1.000 ! spec=13C, no=2340, id=2164, vol=1.810000e+04
assign (segid "   A" and resid   63 and name  HB2) (segid "   A" and resid   63 and name HD12) 3.119 1.216 1.216 weight 1.000 ! spec=13C, no=2341, id=2165, vol=7.840000e+04
assign (segid "   A" and resid   65 and name   HA) (segid "   A" and resid   64 and name  HB2) 3.038 1.154 1.154 weight 1.000 ! spec=13C, no=2342, id=2166, vol=9.180000e+04
assign (segid "   A" and resid   65 and name  HB2) (segid "   A" and resid   65 and name   HA) 3.254 1.323 1.323 weight 1.000 ! spec=13C, no=2345, id=2168, vol=6.080000e+04
assign (segid "   A" and resid   66 and name   HA) (segid "   A" and resid   66 and name   HB) 4.073 2.074 2.074 weight 1.000 ! spec=13C, no=2348, id=2169, vol=1.580000e+04
assign (segid "   A" and resid   66 and name   HA) (segid "   A" and resid   66 and name HG21) 10.859 10.859 14.740 weight 1.000 ! spec=13C, no=2349, id=2170, vol=4.400000e+01
assign (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   67 and name   HA) 3.960 1.960 1.960 weight 1.000 ! spec=13C, no=2351, id=2171, vol=1.870000e+04
assign (segid "   A" and resid   68 and name  HG1) (segid "   A" and resid   67 and name  HB2) 3.279 1.344 1.344 weight 1.000 ! spec=13C, no=2353, id=2173, vol=5.800000e+04
assign (segid "   A" and resid   68 and name  HB2) (segid "   A" and resid   68 and name   HA) 3.435 1.475 1.475 weight 1.000 ! spec=13C, no=2357, id=2176, vol=4.390000e+04
assign (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   68 and name  HG1) 3.579 1.602 1.602 weight 1.000 ! spec=13C, no=2360, id=2178, vol=3.430000e+04
assign (segid "   A" and resid   68 and name  HB2) (segid "   A" and resid   68 and name  HG1) 2.074 0.538 0.538 weight 1.000 ! spec=13C, no=2361, id=2179, vol=9.070000e+05
assign (segid "   A" and resid   72 and name  HD2) (segid "   A" and resid   69 and name  HB1) 5.100 3.251 3.251 weight 1.000 ! spec=13C, no=2367, id=2182, vol=4.100000e+03
assign (segid "   A" and resid   70 and name   HA) (segid "   A" and resid   70 and name  HB2) 3.310 1.369 1.369 weight 1.000 ! spec=13C, no=2371, id=2185, vol=5.490000e+04
assign (segid "   A" and resid   71 and name  HB2) (segid "   A" and resid   71 and name   HA) 3.249 1.320 1.320 weight 1.000 ! spec=13C, no=2376, id=2188, vol=6.130000e+04
assign (segid "   A" and resid   72 and name  HG2) (segid "   A" and resid   71 and name  HB2) 2.130 0.567 0.567 weight 1.000 ! spec=13C, no=2380, id=2191, vol=7.730000e+05
assign (segid "   A" and resid   71 and name   HA) (segid "   A" and resid   71 and name  HG2) 2.985 1.114 1.114 weight 1.000 ! spec=13C, no=2381, id=2192, vol=1.020000e+05
assign (segid "   A" and resid   71 and name  HB2) (segid "   A" and resid   71 and name  HG2) 2.369 0.702 0.702 weight 1.000 ! spec=13C, no=2382, id=2193, vol=4.080000e+05
assign (segid "   A" and resid   73 and name   HB) (segid "   A" and resid   72 and name   HN) 3.245 1.316 1.316 weight 1.000 ! spec=13C, no=2387, id=2198, vol=6.180000e+04
assign (segid "   A" and resid   72 and name  HB1) (segid "   A" and resid   72 and name   HA) 2.399 0.720 0.720 weight 1.000 ! spec=13C, no=2389, id=2199, vol=3.780000e+05
assign (segid "   A" and resid   72 and name  HD2) (segid "   A" and resid   72 and name   HA) 3.419 1.461 1.461 weight 1.000 ! spec=13C, no=2390, id=2200, vol=4.520000e+04
assign (segid "   A" and resid   72 and name  HD2) (segid "   A" and resid   72 and name  HB1) 3.303 1.363 1.363 weight 1.000 ! spec=13C, no=2396, id=2205, vol=5.560000e+04
assign (segid "   A" and resid   72 and name  HG2) (segid "   A" and resid   72 and name  HD2) 1.873 0.439 0.439 weight 1.000 ! spec=13C, no=2398, id=2206, vol=1.670000e+06
assign (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   72 and name  HD2) 6.100 4.652 4.652 weight 1.000 ! spec=13C, no=2399, id=2207, vol=1.400000e+03
assign (segid "   A" and resid   72 and name  HG2) (segid "   A" and resid   72 and name   HA) 2.588 0.837 0.837 weight 1.000 ! spec=13C, no=2400, id=2208, vol=2.400000e+05
assign (segid "   A" and resid   72 and name  HB1) (segid "   A" and resid   72 and name  HG2) 2.127 0.566 0.566 weight 1.000 ! spec=13C, no=2401, id=2209, vol=7.790000e+05
assign (segid "   A" and resid   73 and name HG21) (segid "   A" and resid   73 and name   HA) 3.143 1.234 1.234 weight 1.000 ! spec=13C, no=2408, id=2214, vol=7.490000e+04
assign (segid "   A" and resid   70 and name   HA) (segid "   A" and resid   73 and name   HB) 2.948 1.086 1.086 weight 1.000 ! spec=13C, no=2409, id=2215, vol=1.100000e+05
assign (segid "   A" and resid   73 and name   HB) (segid "   A" and resid   73 and name   HA) 2.340 0.685 0.685 weight 1.000 ! spec=13C, no=2410, id=2216, vol=4.390000e+05
assign (segid "   A" and resid   73 and name HG21) (segid "   A" and resid   73 and name   HB) 2.498 0.780 0.780 weight 1.000 ! spec=13C, no=2414, id=2219, vol=2.970000e+05
assign (segid "   A" and resid   74 and name HG12) (segid "   A" and resid   74 and name   HN) 2.682 0.899 0.899 weight 1.000 ! spec=13C, no=2419, id=2223, vol=1.940000e+05
assign (segid "   A" and resid   74 and name HG12) (segid "   A" and resid   74 and name   HA) 3.520 1.549 1.549 weight 1.000 ! spec=13C, no=2422, id=2225, vol=3.790000e+04
assign (segid "   A" and resid   73 and name   HA) (segid "   A" and resid   74 and name   HB) 3.429 1.470 1.470 weight 1.000 ! spec=13C, no=2423, id=2226, vol=4.440000e+04
assign (segid "   A" and resid   74 and name   HB) (segid "   A" and resid   74 and name   HA) 3.084 1.189 1.189 weight 1.000 ! spec=13C, no=2424, id=2227, vol=8.390000e+04
assign (segid "   A" and resid   74 and name HG12) (segid "   A" and resid   74 and name   HB) 2.416 0.729 0.729 weight 1.000 ! spec=13C, no=2426, id=2228, vol=3.630000e+05
assign (segid "   A" and resid   75 and name HG21) (segid "   A" and resid   75 and name   HN) 2.997 1.123 1.123 weight 1.000 ! spec=13C, no=2432, id=2233, vol=9.960000e+04
assign (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   75 and name   HN) 4.592 2.636 2.636 weight 1.000 ! spec=13C, no=2433, id=2234, vol=7.690000e+03
assign (segid "   A" and resid   75 and name   HB) (segid "   A" and resid   75 and name   HA) 2.312 0.668 0.668 weight 1.000 ! spec=13C, no=2435, id=2235, vol=4.720000e+05
assign (segid "   A" and resid   75 and name   HA) (segid "   A" and resid   75 and name HG21) 2.696 0.908 0.908 weight 1.000 ! spec=13C, no=2439, id=2238, vol=1.880000e+05
assign (segid "   A" and resid   75 and name HG21) (segid "   A" and resid   75 and name   HB) 2.305 0.664 0.664 weight 1.000 ! spec=13C, no=2440, id=2239, vol=4.810000e+05
assign (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   76 and name   HN) 5.777 4.172 4.172 weight 1.000 ! spec=13C, no=2442, id=2240, vol=1.940000e+03
assign (segid "   A" and resid   76 and name   HB) (segid "   A" and resid   76 and name   HA) 3.821 1.825 1.825 weight 1.000 ! spec=13C, no=2447, id=2244, vol=2.320000e+04
assign (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   76 and name HG12) 3.730 1.739 1.739 weight 1.000 ! spec=13C, no=2449, id=2245, vol=2.680000e+04
assign (segid "   A" and resid   76 and name   HB) (segid "   A" and resid   76 and name HG12) 2.966 1.100 1.100 weight 1.000 ! spec=13C, no=2450, id=2246, vol=1.060000e+05
assign (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   77 and name   HA) 3.696 1.708 1.708 weight 1.000 ! spec=13C, no=2453, id=2248, vol=2.830000e+04
assign (segid "   A" and resid   77 and name   HA) (segid "   A" and resid   77 and name  HD2) 3.857 1.860 1.860 weight 1.000 ! spec=13C, no=2455, id=2249, vol=2.190000e+04
assign (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   77 and name  HD2) 2.922 1.067 1.067 weight 1.000 ! spec=13C, no=2456, id=2250, vol=1.160000e+05
assign (segid "   A" and resid   77 and name   HA) (segid "   A" and resid   77 and name  HG2) 7.051 6.215 6.215 weight 1.000 ! spec=13C, no=2458, id=2251, vol=5.870000e+02
assign (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   77 and name  HG2) 3.562 1.586 1.586 weight 1.000 ! spec=13C, no=2459, id=2252, vol=3.530000e+04
assign (segid "   A" and resid   77 and name   HA) (segid "   A" and resid   78 and name   HN) 3.621 1.639 1.639 weight 1.000 ! spec=13C, no=2461, id=2253, vol=3.200000e+04
assign (segid "   A" and resid   78 and name  HB2) (segid "   A" and resid   78 and name   HN) 2.180 0.594 0.594 weight 1.000 ! spec=13C, no=2463, id=2255, vol=6.720000e+05
assign (segid "   A" and resid   78 and name  HB2) (segid "   A" and resid   78 and name   HA) 1.771 0.392 0.392 weight 1.000 ! spec=13C, no=2466, id=2257, vol=2.340000e+06
assign (segid "   A" and resid   78 and name  HG1) (segid "   A" and resid   78 and name   HA) 2.201 0.605 0.605 weight 1.000 ! spec=13C, no=2472, id=2262, vol=6.350000e+05
assign (segid "   A" and resid   78 and name  HE2) (segid "   A" and resid   78 and name  HG1) 2.219 0.615 0.615 weight 1.000 ! spec=13C, no=2474, id=2264, vol=6.050000e+05
assign (segid "   A" and resid   78 and name  HB2) (segid "   A" and resid   78 and name  HE2) 2.362 0.698 0.698 weight 1.000 ! spec=13C, no=2477, id=2266, vol=4.150000e+05
assign (segid "   A" and resid   79 and name  HB1) (segid "   A" and resid   79 and name   HA) 3.163 1.251 1.251 weight 1.000 ! spec=13C, no=2482, id=2270, vol=7.200000e+04
assign (segid "   A" and resid   80 and name   HA) (segid "   A" and resid   80 and name   HN) 2.586 0.836 0.836 weight 1.000 ! spec=13C, no=2484, id=2271, vol=2.410000e+05
assign (segid "   A" and resid   80 and name  HB2) (segid "   A" and resid   80 and name   HA) 2.793 0.975 0.975 weight 1.000 ! spec=13C, no=2489, id=2275, vol=1.520000e+05
assign (segid "   A" and resid   80 and name  HD2) (segid "   A" and resid   80 and name  HB2) 3.011 1.133 1.133 weight 1.000 ! spec=13C, no=2494, id=2279, vol=9.690000e+04
assign (segid "   A" and resid   79 and name   HA) (segid "   A" and resid   80 and name  HD2) 2.484 0.771 0.771 weight 1.000 ! spec=13C, no=2495, id=2280, vol=3.070000e+05
assign (segid "   A" and resid   80 and name  HD2) (segid "   A" and resid   80 and name   HA) 3.640 1.657 1.657 weight 1.000 ! spec=13C, no=2496, id=2281, vol=3.100000e+04
assign (segid "   A" and resid   80 and name  HG2) (segid "   A" and resid   80 and name  HD2) 2.357 0.694 0.694 weight 1.000 ! spec=13C, no=2500, id=2284, vol=4.210000e+05
assign (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   80 and name  HG2) 2.971 1.103 1.103 weight 1.000 ! spec=13C, no=2501, id=2285, vol=1.050000e+05
assign (segid "   A" and resid   80 and name  HG2) (segid "   A" and resid   80 and name   HA) 2.383 0.710 0.710 weight 1.000 ! spec=13C, no=2502, id=2286, vol=3.940000e+05
assign (segid "   A" and resid   80 and name  HB2) (segid "   A" and resid   80 and name  HG2) 2.141 0.573 0.573 weight 1.000 ! spec=13C, no=2503, id=2287, vol=7.500000e+05
assign (segid "   A" and resid   82 and name HD22) (segid "   A" and resid   82 and name   HA) 2.284 0.652 0.652 weight 1.000 ! spec=13C, no=2523, id=2301, vol=5.080000e+05
assign (segid "   A" and resid   82 and name  HB2) (segid "   A" and resid   82 and name   HA) 2.488 0.774 0.774 weight 1.000 ! spec=13C, no=2525, id=2303, vol=3.040000e+05
assign (segid "   A" and resid   82 and name HD12) (segid "   A" and resid   82 and name  HB2) 2.153 0.580 0.580 weight 1.000 ! spec=13C, no=2528, id=2305, vol=7.240000e+05
assign (segid "   A" and resid   82 and name   HG) (segid "   A" and resid   82 and name  HB2) 1.708 0.364 0.364 weight 1.000 ! spec=13C, no=2530, id=2307, vol=2.910000e+06
assign (segid "   A" and resid   83 and name  HG2) (segid "   A" and resid   82 and name  HB2) 6.192 4.793 4.793 weight 1.000 ! spec=13C, no=2531, id=2308, vol=1.280000e+03
assign (segid "   A" and resid   82 and name  HB1) (segid "   A" and resid   82 and name   HA) 2.368 0.701 0.701 weight 1.000 ! spec=13C, no=2532, id=2309, vol=4.090000e+05
assign (segid "   A" and resid   82 and name HD12) (segid "   A" and resid   82 and name  HB1) 2.183 0.596 0.596 weight 1.000 ! spec=13C, no=2535, id=2311, vol=6.670000e+05
assign (segid "   A" and resid   82 and name HD22) (segid "   A" and resid   82 and name  HB1) 2.305 0.664 0.664 weight 1.000 ! spec=13C, no=2536, id=2312, vol=4.810000e+05
assign (segid "   A" and resid   82 and name   HG) (segid "   A" and resid   82 and name  HB1) 2.447 0.749 0.749 weight 1.000 ! spec=13C, no=2537, id=2313, vol=3.360000e+05
assign (segid "   A" and resid   83 and name  HG2) (segid "   A" and resid   82 and name  HB1) 5.763 4.151 4.151 weight 1.000 ! spec=13C, no=2538, id=2314, vol=1.970000e+03
assign (segid "   A" and resid   82 and name   HG) (segid "   A" and resid   82 and name   HA) 2.486 0.772 0.772 weight 1.000 ! spec=13C, no=2539, id=2315, vol=3.060000e+05
assign (segid "   A" and resid   82 and name HD12) (segid "   A" and resid   82 and name   HG) 2.242 0.628 0.628 weight 1.000 ! spec=13C, no=2542, id=2318, vol=5.680000e+05
assign (segid "   A" and resid   82 and name HD22) (segid "   A" and resid   82 and name   HG) 2.324 0.675 0.675 weight 1.000 ! spec=13C, no=2543, id=2319, vol=4.580000e+05
assign (segid "   A" and resid   82 and name HD12) (segid "   A" and resid   82 and name   HA) 2.905 1.055 1.055 weight 1.000 ! spec=13C, no=2545, id=2320, vol=1.200000e+05
assign (segid "   A" and resid   82 and name HD22) (segid "   A" and resid   82 and name  HB2) 4.862 2.955 2.955 weight 1.000 ! spec=13C, no=2551, id=2325, vol=5.460000e+03
assign (segid "   A" and resid   82 and name   HA) (segid "   A" and resid   83 and name   HN) 2.474 0.765 0.765 weight 1.000 ! spec=13C, no=2556, id=2329, vol=3.150000e+05
assign (segid "   A" and resid   83 and name  HB1) (segid "   A" and resid   83 and name   HA) 2.283 0.652 0.652 weight 1.000 ! spec=13C, no=2564, id=2336, vol=5.090000e+05
assign (segid "   A" and resid   83 and name  HG2) (segid "   A" and resid   83 and name   HA) 4.444 2.468 2.468 weight 1.000 ! spec=13C, no=2565, id=2337, vol=9.370000e+03
assign (segid "   A" and resid   83 and name  HB2) (segid "   A" and resid   83 and name   HA) 2.675 0.894 0.894 weight 1.000 ! spec=13C, no=2566, id=2338, vol=1.970000e+05
assign (segid "   A" and resid   83 and name  HB1) (segid "   A" and resid   83 and name  HB2) 1.545 0.298 0.298 weight 1.000 ! spec=13C, no=2568, id=2339, vol=5.300000e+06
assign (segid "   A" and resid   83 and name  HG2) (segid "   A" and resid   83 and name  HB1) 2.477 0.767 0.767 weight 1.000 ! spec=13C, no=2573, id=2343, vol=3.120000e+05
assign (segid "   A" and resid   83 and name  HG2) (segid "   A" and resid   83 and name  HB2) 2.673 0.893 0.893 weight 1.000 ! spec=13C, no=2576, id=2346, vol=1.980000e+05
assign (segid "   A" and resid   83 and name   HA) (segid "   A" and resid   84 and name   HN) 4.109 2.110 2.110 weight 1.000 ! spec=13C, no=2579, id=2348, vol=1.500000e+04
assign (segid "   A" and resid   84 and name   HA) (segid "   A" and resid   84 and name   HN) 2.217 0.615 0.615 weight 1.000 ! spec=13C, no=2580, id=2349, vol=6.070000e+05
assign (segid "   A" and resid   83 and name   HA) (segid "   A" and resid   84 and name  HB2) 3.327 1.384 1.384 weight 1.000 ! spec=13C, no=2586, id=2354, vol=5.320000e+04
assign (segid "   A" and resid   84 and name  HB2) (segid "   A" and resid   84 and name   HA) 2.913 1.061 1.061 weight 1.000 ! spec=13C, no=2587, id=2355, vol=1.180000e+05
assign (segid "   A" and resid   84 and name  HB1) (segid "   A" and resid   84 and name   HA) 2.497 0.779 0.779 weight 1.000 ! spec=13C, no=2590, id=2357, vol=2.980000e+05
assign (segid "   A" and resid   84 and name  HB1) (segid "   A" and resid   84 and name  HB2) 6.100 4.652 4.652 weight 1.000 ! spec=13C, no=2591, id=2358, vol=1.400000e+03
assign (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   85 and name   HN) 1.946 0.473 0.473 weight 1.000 ! spec=13C, no=2593, id=2359, vol=1.330000e+06
assign (segid "   A" and resid   85 and name  HB1) (segid "   A" and resid   85 and name   HA) 2.116 0.560 0.560 weight 1.000 ! spec=13C, no=2602, id=2367, vol=8.040000e+05
assign (segid "   A" and resid   85 and name HD12) (segid "   A" and resid   85 and name  HB1) 1.838 0.422 0.422 weight 1.000 ! spec=13C, no=2605, id=2369, vol=1.870000e+06
assign (segid "   A" and resid   85 and name   HG) (segid "   A" and resid   85 and name  HB1) 2.447 0.749 0.749 weight 1.000 ! spec=13C, no=2606, id=2370, vol=3.360000e+05
assign (segid "   A" and resid   85 and name   HG) (segid "   A" and resid   85 and name   HA) 2.175 0.591 0.591 weight 1.000 ! spec=13C, no=2607, id=2371, vol=6.810000e+05
assign (segid "   A" and resid   85 and name HD12) (segid "   A" and resid   85 and name   HG) 1.951 0.476 0.476 weight 1.000 ! spec=13C, no=2609, id=2373, vol=1.310000e+06
assign (segid "   A" and resid   85 and name HD12) (segid "   A" and resid   85 and name   HA) 2.399 0.720 0.720 weight 1.000 ! spec=13C, no=2612, id=2375, vol=3.780000e+05
assign (segid "   A" and resid   86 and name   HB) (segid "   A" and resid   86 and name   HN) 2.335 0.682 0.682 weight 1.000 ! spec=13C, no=2619, id=2379, vol=4.450000e+05
assign (segid "   A" and resid   86 and name   HB) (segid "   A" and resid   86 and name   HA) 2.467 0.761 0.761 weight 1.000 ! spec=13C, no=2622, id=2381, vol=3.200000e+05
assign (segid "   A" and resid   86 and name HG21) (segid "   A" and resid   86 and name   HA) 2.523 0.795 0.795 weight 1.000 ! spec=13C, no=2623, id=2382, vol=2.800000e+05
assign (segid "   A" and resid   83 and name   HA) (segid "   A" and resid   86 and name   HB) 3.426 1.467 1.467 weight 1.000 ! spec=13C, no=2625, id=2384, vol=4.460000e+04
assign (segid "   A" and resid   83 and name  HG2) (segid "   A" and resid   86 and name   HB) 4.528 2.563 2.563 weight 1.000 ! spec=13C, no=2626, id=2385, vol=8.370000e+03
assign (segid "   A" and resid   86 and name   HB) (segid "   A" and resid   86 and name HG21) 2.123 0.564 0.564 weight 1.000 ! spec=13C, no=2630, id=2388, vol=7.870000e+05
assign (segid "   A" and resid   87 and name  HB2) (segid "   A" and resid   87 and name   HA) 3.594 1.614 1.614 weight 1.000 ! spec=13C, no=2633, id=2389, vol=3.350000e+04
assign (segid "   A" and resid   87 and name  HG2) (segid "   A" and resid   87 and name  HB2) 2.230 0.621 0.621 weight 1.000 ! spec=13C, no=2635, id=2390, vol=5.870000e+05
assign (segid "   A" and resid   87 and name   HA) (segid "   A" and resid   87 and name  HD2) 2.538 0.805 0.805 weight 1.000 ! spec=13C, no=2637, id=2392, vol=2.700000e+05
assign (segid "   A" and resid   87 and name  HB2) (segid "   A" and resid   87 and name  HD2) 3.031 1.149 1.149 weight 1.000 ! spec=13C, no=2638, id=2393, vol=9.300000e+04
assign (segid "   A" and resid   87 and name   HA) (segid "   A" and resid   87 and name  HG2) 2.435 0.741 0.741 weight 1.000 ! spec=13C, no=2639, id=2394, vol=3.460000e+05
assign (segid "   A" and resid   89 and name   HA) (segid "   A" and resid   88 and name   HN) 3.221 1.297 1.297 weight 1.000 ! spec=13C, no=2643, id=2397, vol=6.460000e+04
assign (segid "   A" and resid   89 and name   HG) (segid "   A" and resid   89 and name   HA) 2.486 0.772 0.772 weight 1.000 ! spec=13C, no=2649, id=2401, vol=3.060000e+05
assign (segid "   A" and resid   89 and name  HB1) (segid "   A" and resid   89 and name   HA) 3.614 1.632 1.632 weight 1.000 ! spec=13C, no=2650, id=2402, vol=3.240000e+04
assign (segid "   A" and resid   89 and name HD22) (segid "   A" and resid   89 and name  HB1) 2.122 0.563 0.563 weight 1.000 ! spec=13C, no=2652, id=2403, vol=7.910000e+05
assign (segid "   A" and resid   89 and name  HB1) (segid "   A" and resid   89 and name   HG) 2.451 0.751 0.751 weight 1.000 ! spec=13C, no=2654, id=2405, vol=3.330000e+05
assign (segid "   A" and resid   89 and name HD22) (segid "   A" and resid   89 and name   HG) 1.977 0.488 0.488 weight 1.000 ! spec=13C, no=2655, id=2406, vol=1.210000e+06
assign (segid "   A" and resid   89 and name HD12) (segid "   A" and resid   89 and name   HA) 3.065 1.174 1.174 weight 1.000 ! spec=13C, no=2657, id=2407, vol=8.700000e+04
assign (segid "   A" and resid   89 and name  HB1) (segid "   A" and resid   89 and name HD12) 4.247 2.254 2.254 weight 1.000 ! spec=13C, no=2658, id=2408, vol=1.230000e+04
assign (segid "   A" and resid   89 and name HD22) (segid "   A" and resid   89 and name HD12) 2.215 0.613 0.613 weight 1.000 ! spec=13C, no=2659, id=2409, vol=6.110000e+05
assign (segid "   A" and resid   89 and name HD22) (segid "   A" and resid   89 and name   HA) 3.059 1.169 1.169 weight 1.000 ! spec=13C, no=2660, id=2410, vol=8.810000e+04
assign (segid "   A" and resid   87 and name   HA) (segid "   A" and resid   90 and name   HN) 3.149 1.239 1.239 weight 1.000 ! spec=13C, no=2664, id=2413, vol=7.400000e+04
assign (segid "   A" and resid   90 and name  HB2) (segid "   A" and resid   90 and name   HA) 3.069 1.177 1.177 weight 1.000 ! spec=13C, no=2673, id=2421, vol=8.640000e+04
assign (segid "   A" and resid   90 and name  HD2) (segid "   A" and resid   90 and name  HB2) 2.319 0.672 0.672 weight 1.000 ! spec=13C, no=2675, id=2422, vol=4.640000e+05
assign (segid "   A" and resid   90 and name  HD2) (segid "   A" and resid   90 and name   HA) 2.842 1.009 1.009 weight 1.000 ! spec=13C, no=2676, id=2423, vol=1.370000e+05
assign (segid "   A" and resid   90 and name  HG2) (segid "   A" and resid   90 and name   HA) 2.544 0.809 0.809 weight 1.000 ! spec=13C, no=2679, id=2425, vol=2.660000e+05
assign (segid "   A" and resid   90 and name  HB2) (segid "   A" and resid   90 and name  HG2) 4.073 2.074 2.074 weight 1.000 ! spec=13C, no=2680, id=2426, vol=1.580000e+04
assign (segid "   A" and resid   90 and name  HD2) (segid "   A" and resid   90 and name  HG2) 3.683 1.696 1.696 weight 1.000 ! spec=13C, no=2681, id=2427, vol=2.890000e+04
assign (segid "   A" and resid   91 and name HG12) (segid "   A" and resid   91 and name   HA) 3.206 1.285 1.285 weight 1.000 ! spec=13C, no=2685, id=2429, vol=6.640000e+04
assign (segid "   A" and resid   91 and name   HB) (segid "   A" and resid   91 and name   HA) 3.766 1.773 1.773 weight 1.000 ! spec=13C, no=2686, id=2430, vol=2.530000e+04
assign (segid "   A" and resid   92 and name   HA) (segid "   A" and resid   91 and name   HB) 3.363 1.413 1.413 weight 1.000 ! spec=13C, no=2688, id=2431, vol=4.990000e+04
assign (segid "   A" and resid   91 and name   HB) (segid "   A" and resid   91 and name HG12) 3.023 1.142 1.142 weight 1.000 ! spec=13C, no=2690, id=2433, vol=9.460000e+04
assign (segid "   A" and resid   92 and name  HB2) (segid "   A" and resid   92 and name   HA) 3.791 1.797 1.797 weight 1.000 ! spec=13C, no=2696, id=2437, vol=2.430000e+04
assign (segid "   A" and resid   93 and name   HB) (segid "   A" and resid   93 and name   HN) 3.749 1.757 1.757 weight 1.000 ! spec=13C, no=2698, id=2438, vol=2.600000e+04
assign (segid "   A" and resid   93 and name HD12) (segid "   A" and resid   93 and name   HN) 3.008 1.131 1.131 weight 1.000 ! spec=13C, no=2699, id=2439, vol=9.740000e+04
assign (segid "   A" and resid   93 and name   HB) (segid "   A" and resid   93 and name   HA) 3.562 1.586 1.586 weight 1.000 ! spec=13C, no=2701, id=2440, vol=3.530000e+04
assign (segid "   A" and resid   93 and name HD12) (segid "   A" and resid   93 and name   HA) 3.650 1.666 1.666 weight 1.000 ! spec=13C, no=2702, id=2441, vol=3.050000e+04
assign (segid "   A" and resid   93 and name HG12) (segid "   A" and resid   93 and name   HA) 3.419 1.461 1.461 weight 1.000 ! spec=13C, no=2703, id=2442, vol=4.520000e+04
assign (segid "   A" and resid   93 and name HG22) (segid "   A" and resid   93 and name   HA) 3.519 1.548 1.548 weight 1.000 ! spec=13C, no=2704, id=2443, vol=3.800000e+04
assign (segid "   A" and resid   93 and name HG12) (segid "   A" and resid   93 and name   HB) 2.514 0.790 0.790 weight 1.000 ! spec=13C, no=2708, id=2446, vol=2.860000e+05
assign (segid "   A" and resid   93 and name HD12) (segid "   A" and resid   93 and name HG12) 2.646 0.875 0.875 weight 1.000 ! spec=13C, no=2711, id=2449, vol=2.100000e+05
assign (segid "   A" and resid   93 and name HD12) (segid "   A" and resid   93 and name   HB) 2.467 0.761 0.761 weight 1.000 ! spec=13C, no=2713, id=2450, vol=3.200000e+05
assign (segid "   A" and resid   93 and name HG22) (segid "   A" and resid   56 and name HG21) 2.296 0.659 0.659 weight 1.000 ! spec=13C, no=2716, id=2452, vol=4.920000e+05
assign (segid "   A" and resid   93 and name HG22) (segid "   A" and resid   93 and name   HB) 2.471 0.763 0.763 weight 1.000 ! spec=13C, no=2717, id=2453, vol=3.170000e+05
assign (segid "   A" and resid   93 and name HD12) (segid "   A" and resid   93 and name HG22) 2.549 0.812 0.812 weight 1.000 ! spec=13C, no=2718, id=2454, vol=2.630000e+05
assign (segid "   A" and resid   93 and name HG12) (segid "   A" and resid   93 and name HG22) 3.342 1.396 1.396 weight 1.000 ! spec=13C, no=2719, id=2455, vol=5.180000e+04
assign (segid "   A" and resid   94 and name  HB2) (segid "   A" and resid   94 and name   HN) 2.011 0.506 0.506 weight 1.000 ! spec=13C, no=2722, id=2457, vol=1.090000e+06
assign (segid "   A" and resid   94 and name   HA) (segid "   A" and resid   56 and name   HB) 3.888 1.889 1.889 weight 1.000 ! spec=13C, no=2724, id=2459, vol=2.090000e+04
assign (segid "   A" and resid   94 and name  HD1) (segid "   A" and resid   94 and name   HA) 3.258 1.327 1.327 weight 1.000 ! spec=13C, no=2727, id=2461, vol=6.030000e+04
assign (segid "   A" and resid   56 and name HG21) (segid "   A" and resid   94 and name  HB2) 1.943 0.472 0.472 weight 1.000 ! spec=13C, no=2728, id=2462, vol=1.340000e+06
assign (segid "   A" and resid   94 and name  HB2) (segid "   A" and resid   94 and name   HA) 3.933 1.933 1.933 weight 1.000 ! spec=13C, no=2729, id=2463, vol=1.950000e+04
assign (segid "   A" and resid   94 and name  HD1) (segid "   A" and resid   94 and name  HB2) 2.462 0.758 0.758 weight 1.000 ! spec=13C, no=2731, id=2464, vol=3.240000e+05
assign (segid "   A" and resid   94 and name   HA) (segid "   A" and resid   94 and name  HD2) 3.732 1.741 1.741 weight 1.000 ! spec=13C, no=2732, id=2465, vol=2.670000e+04
assign (segid "   A" and resid   94 and name  HB2) (segid "   A" and resid   94 and name  HD2) 3.043 1.157 1.157 weight 1.000 ! spec=13C, no=2733, id=2466, vol=9.090000e+04
assign (segid "   A" and resid   94 and name  HD1) (segid "   A" and resid   94 and name  HD2) 2.161 0.584 0.584 weight 1.000 ! spec=13C, no=2734, id=2467, vol=7.090000e+05
assign (segid "   A" and resid   94 and name  HB2) (segid "   A" and resid   94 and name  HG2) 1.938 0.470 0.470 weight 1.000 ! spec=13C, no=2738, id=2470, vol=1.360000e+06
assign (segid "   A" and resid   94 and name  HD1) (segid "   A" and resid   94 and name  HG2) 3.751 1.759 1.759 weight 1.000 ! spec=13C, no=2739, id=2471, vol=2.590000e+04
assign (segid "   A" and resid   93 and name   HA) (segid "   A" and resid   95 and name   HA) 4.784 2.861 2.861 weight 1.000 ! spec=13C, no=2742, id=2474, vol=6.020000e+03
assign (segid "   A" and resid   95 and name  HB2) (segid "   A" and resid   95 and name   HA) 2.831 1.002 1.002 weight 1.000 ! spec=13C, no=2744, id=2475, vol=1.400000e+05
assign (segid "   A" and resid   98 and name   HA) (segid "   A" and resid   95 and name   HA) 3.625 1.642 1.642 weight 1.000 ! spec=13C, no=2745, id=2476, vol=3.180000e+04
assign (segid "   B" and resid  187 and name  HE2) (segid "   A" and resid   95 and name  HB2) 3.135 1.229 1.229 weight 1.000 ! spec=13C, no=2749, id=2479, vol=7.600000e+04
assign (segid "   A" and resid   96 and name HG12) (segid "   A" and resid   96 and name   HA) 3.642 1.658 1.658 weight 1.000 ! spec=13C, no=2753, id=2482, vol=3.090000e+04
assign (segid "   A" and resid   96 and name   HA) (segid "   A" and resid   96 and name   HB) 6.804 5.787 5.787 weight 1.000 ! spec=13C, no=2754, id=2483, vol=7.270000e+02
assign (segid "   A" and resid   96 and name   HB) (segid "   A" and resid   96 and name HG12) 3.041 1.156 1.156 weight 1.000 ! spec=13C, no=2757, id=2485, vol=9.130000e+04
assign (segid "   A" and resid   96 and name   HA) (segid "   A" and resid   96 and name HG22) 4.715 2.778 2.778 weight 1.000 ! spec=13C, no=2758, id=2486, vol=6.570000e+03
assign (segid "   A" and resid   96 and name   HB) (segid "   A" and resid   96 and name HG22) 2.592 0.840 0.840 weight 1.000 ! spec=13C, no=2759, id=2487, vol=2.380000e+05
assign (segid "   A" and resid   97 and name  HB2) (segid "   A" and resid   97 and name   HA) 3.559 1.583 1.583 weight 1.000 ! spec=13C, no=2760, id=2488, vol=3.550000e+04
assign (segid "   A" and resid   52 and name  HB1) (segid "   A" and resid   97 and name  HB2) 2.741 0.939 0.939 weight 1.000 ! spec=13C, no=2761, id=2489, vol=1.700000e+05
assign (segid "   A" and resid   53 and name  HB2) (segid "   A" and resid   97 and name  HB2) 1.922 0.462 0.462 weight 1.000 ! spec=13C, no=2762, id=2490, vol=1.430000e+06
assign (segid "   A" and resid   53 and name  HB2) (segid "   A" and resid   97 and name   HG) 2.486 0.772 0.772 weight 1.000 ! spec=13C, no=2765, id=2492, vol=3.060000e+05
assign (segid "   A" and resid   98 and name HG12) (segid "   A" and resid   98 and name   HA) 3.420 1.462 1.462 weight 1.000 ! spec=13C, no=2768, id=2494, vol=4.510000e+04
assign (segid "   A" and resid   98 and name HG12) (segid "   A" and resid   98 and name   HB) 2.420 0.732 0.732 weight 1.000 ! spec=13C, no=2770, id=2495, vol=3.590000e+05
assign (segid "   B" and resid  187 and name  HE2) (segid "   A" and resid   98 and name   HB) 2.486 0.772 0.772 weight 1.000 ! spec=13C, no=2771, id=2496, vol=3.060000e+05
assign (segid "   A" and resid   99 and name   HA) (segid "   A" and resid   99 and name   HN) 2.713 0.920 0.920 weight 1.000 ! spec=13C, no=2774, id=2498, vol=1.810000e+05
assign (segid "   A" and resid   99 and name  HE2) (segid "   A" and resid   99 and name   HN) 4.580 2.622 2.622 weight 1.000 ! spec=13C, no=2775, id=2499, vol=7.820000e+03
assign (segid "   A" and resid   99 and name  HB2) (segid "   A" and resid   99 and name   HA) 2.529 0.799 0.799 weight 1.000 ! spec=13C, no=2777, id=2500, vol=2.760000e+05
assign (segid "   A" and resid   99 and name  HE2) (segid "   A" and resid   99 and name  HB2) 2.749 0.945 0.945 weight 1.000 ! spec=13C, no=2782, id=2504, vol=1.670000e+05
assign (segid "   A" and resid   99 and name  HG2) (segid "   A" and resid   99 and name  HB2) 2.673 0.893 0.893 weight 1.000 ! spec=13C, no=2783, id=2505, vol=1.980000e+05
assign (segid "   A" and resid   99 and name  HE2) (segid "   A" and resid   99 and name  HG2) 3.099 1.201 1.201 weight 1.000 ! spec=13C, no=2784, id=2506, vol=8.140000e+04
assign (segid "   A" and resid   99 and name  HG2) (segid "   B" and resid  186 and name  HG2) 2.367 0.700 0.700 weight 1.000 ! spec=13C, no=2787, id=2508, vol=4.100000e+05
assign (segid "   A" and resid   99 and name  HE2) (segid "   A" and resid   99 and name   HA) 3.318 1.376 1.376 weight 1.000 ! spec=13C, no=2788, id=2509, vol=5.410000e+04
assign (segid "   B" and resid  147 and name HD12) (segid "   A" and resid   99 and name  HE2) 2.119 0.561 0.561 weight 1.000 ! spec=13C, no=2791, id=2511, vol=7.960000e+05
assign (segid "   A" and resid  100 and name  HG2) (segid "   A" and resid  100 and name   HN) 2.255 0.636 0.636 weight 1.000 ! spec=13C, no=2794, id=2514, vol=5.490000e+05
assign (segid "   A" and resid  100 and name  HB2) (segid "   A" and resid  100 and name   HA) 3.077 1.184 1.184 weight 1.000 ! spec=13C, no=2796, id=2515, vol=8.500000e+04
assign (segid "   A" and resid  100 and name  HB2) (segid "   A" and resid  100 and name  HG2) 4.151 2.154 2.154 weight 1.000 ! spec=13C, no=2803, id=2521, vol=1.410000e+04
assign (segid "   A" and resid   49 and name  HB2) (segid "   A" and resid  101 and name  HB2) 5.391 3.632 3.632 weight 1.000 ! spec=13C, no=2808, id=2524, vol=2.940000e+03
assign (segid "   A" and resid  101 and name   HA) (segid "   A" and resid  101 and name  HB2) 3.208 1.286 1.286 weight 1.000 ! spec=13C, no=2809, id=2525, vol=6.620000e+04
assign (segid "   A" and resid  102 and name   HA) (segid "   A" and resid  101 and name  HB2) 3.498 1.529 1.529 weight 1.000 ! spec=13C, no=2811, id=2526, vol=3.940000e+04
assign (segid "   A" and resid  102 and name   HA) (segid "   A" and resid  102 and name  HB2) 3.454 1.491 1.491 weight 1.000 ! spec=13C, no=2813, id=2527, vol=4.250000e+04
assign (segid "   A" and resid  102 and name   HA) (segid "   A" and resid  102 and name HD12) 3.599 1.619 1.619 weight 1.000 ! spec=13C, no=2815, id=2528, vol=3.320000e+04
assign (segid "   A" and resid  102 and name  HB2) (segid "   A" and resid  102 and name HD12) 3.552 1.577 1.577 weight 1.000 ! spec=13C, no=2816, id=2529, vol=3.590000e+04
assign (segid "   A" and resid  104 and name  HB1) (segid "   A" and resid  104 and name   HA) 2.657 0.883 0.883 weight 1.000 ! spec=13C, no=2818, id=2530, vol=2.050000e+05
assign (segid "   A" and resid  105 and name  HB2) (segid "   A" and resid  105 and name   HA) 4.192 2.196 2.196 weight 1.000 ! spec=13C, no=2827, id=2537, vol=1.330000e+04
assign (segid "   A" and resid  105 and name  HD2) (segid "   A" and resid  105 and name   HA) 3.261 1.329 1.329 weight 1.000 ! spec=13C, no=2828, id=2538, vol=6.000000e+04
assign (segid "   A" and resid  105 and name  HE1) (segid "   A" and resid  105 and name   HA) 3.834 1.838 1.838 weight 1.000 ! spec=13C, no=2829, id=2539, vol=2.270000e+04
assign (segid "   A" and resid  105 and name  HG2) (segid "   A" and resid  105 and name   HA) 2.772 0.961 0.961 weight 1.000 ! spec=13C, no=2830, id=2540, vol=1.590000e+05
assign (segid "   A" and resid  105 and name  HB2) (segid "   A" and resid  105 and name  HD2) 2.346 0.688 0.688 weight 1.000 ! spec=13C, no=2834, id=2543, vol=4.330000e+05
assign (segid "   A" and resid  105 and name  HE1) (segid "   A" and resid  105 and name  HB2) 3.265 1.332 1.332 weight 1.000 ! spec=13C, no=2836, id=2545, vol=5.960000e+04
assign (segid "   A" and resid  105 and name  HE2) (segid "   A" and resid  105 and name  HD2) 5.495 3.775 3.775 weight 1.000 ! spec=13C, no=2840, id=2548, vol=2.620000e+03
assign (segid "   A" and resid  105 and name  HE1) (segid "   A" and resid  105 and name  HD2) 2.825 0.997 0.997 weight 1.000 ! spec=13C, no=2841, id=2549, vol=1.420000e+05
assign (segid "   A" and resid  105 and name  HB2) (segid "   A" and resid  105 and name  HE2) 3.297 1.359 1.359 weight 1.000 ! spec=13C, no=2846, id=2553, vol=5.620000e+04
assign (segid "   A" and resid  105 and name  HG2) (segid "   A" and resid  105 and name  HB2) 3.042 1.157 1.157 weight 1.000 ! spec=13C, no=2852, id=2558, vol=9.100000e+04
assign (segid "   A" and resid  105 and name  HE1) (segid "   A" and resid  105 and name  HG2) 3.462 1.498 1.498 weight 1.000 ! spec=13C, no=2854, id=2560, vol=4.190000e+04
assign (segid "   A" and resid  105 and name   HA) (segid "   A" and resid  105 and name  HG1) 3.923 1.923 1.923 weight 1.000 ! spec=13C, no=2857, id=2562, vol=1.980000e+04
assign (segid "   A" and resid  105 and name  HB2) (segid "   A" and resid  105 and name  HG1) 3.480 1.514 1.514 weight 1.000 ! spec=13C, no=2858, id=2563, vol=4.060000e+04
assign (segid "   A" and resid  105 and name  HE1) (segid "   A" and resid  105 and name  HG1) 3.240 1.312 1.312 weight 1.000 ! spec=13C, no=2859, id=2564, vol=6.240000e+04
assign (segid "   A" and resid  106 and name  HD2) (segid "   A" and resid  106 and name   HN) 2.825 0.997 0.997 weight 1.000 ! spec=13C, no=2861, id=2566, vol=1.420000e+05
assign (segid "   A" and resid  106 and name  HB2) (segid "   A" and resid  106 and name   HA) 2.569 0.825 0.825 weight 1.000 ! spec=13C, no=2864, id=2568, vol=2.510000e+05
assign (segid "   A" and resid  106 and name   HA) (segid "   A" and resid  106 and name  HD2) 3.029 1.147 1.147 weight 1.000 ! spec=13C, no=2865, id=2569, vol=9.350000e+04
assign (segid "   A" and resid  106 and name  HG2) (segid "   A" and resid  106 and name  HB2) 2.470 0.762 0.762 weight 1.000 ! spec=13C, no=2872, id=2575, vol=3.180000e+05
assign (segid "   A" and resid  106 and name  HB2) (segid "   A" and resid  106 and name  HD2) 2.655 0.881 0.881 weight 1.000 ! spec=13C, no=2874, id=2577, vol=2.060000e+05
assign (segid "   A" and resid  106 and name  HG2) (segid "   A" and resid  106 and name  HD2) 2.605 0.848 0.848 weight 1.000 ! spec=13C, no=2876, id=2578, vol=2.310000e+05
assign (segid "   A" and resid  106 and name  HG2) (segid "   A" and resid  106 and name   HA) 2.975 1.107 1.107 weight 1.000 ! spec=13C, no=2877, id=2579, vol=1.040000e+05
assign (segid "   A" and resid  107 and name  HE2) (segid "   A" and resid  107 and name   HN) 2.901 1.052 1.052 weight 1.000 ! spec=13C, no=2884, id=2585, vol=1.210000e+05
assign (segid "   A" and resid  107 and name  HD1) (segid "   A" and resid  107 and name   HA) 2.326 0.676 0.676 weight 1.000 ! spec=13C, no=2889, id=2589, vol=4.560000e+05
assign (segid "   A" and resid  107 and name  HB2) (segid "   A" and resid  107 and name   HA) 3.165 1.252 1.252 weight 1.000 ! spec=13C, no=2890, id=2590, vol=7.180000e+04
assign (segid "   A" and resid  107 and name  HE2) (segid "   A" and resid  107 and name  HB2) 2.417 0.730 0.730 weight 1.000 ! spec=13C, no=2893, id=2592, vol=3.620000e+05
assign (segid "   A" and resid  107 and name  HD1) (segid "   A" and resid  107 and name  HB2) 1.966 0.483 0.483 weight 1.000 ! spec=13C, no=2894, id=2593, vol=1.250000e+06
assign (segid "   A" and resid  107 and name  HE2) (segid "   A" and resid  107 and name  HD1) 2.479 0.768 0.768 weight 1.000 ! spec=13C, no=2898, id=2596, vol=3.110000e+05
assign (segid "   A" and resid  107 and name  HE2) (segid "   A" and resid  107 and name   HA) 2.985 1.114 1.114 weight 1.000 ! spec=13C, no=2900, id=2597, vol=1.020000e+05
assign (segid "   A" and resid  107 and name   HA) (segid "   A" and resid  107 and name  HG2) 5.376 3.612 3.612 weight 1.000 ! spec=13C, no=2905, id=2601, vol=2.990000e+03
assign (segid "   A" and resid  107 and name  HB2) (segid "   A" and resid  107 and name  HG2) 2.351 0.691 0.691 weight 1.000 ! spec=13C, no=2906, id=2602, vol=4.270000e+05
assign (segid "   A" and resid  107 and name  HE2) (segid "   A" and resid  107 and name  HG2) 2.390 0.714 0.714 weight 1.000 ! spec=13C, no=2908, id=2604, vol=3.870000e+05
assign (segid "   A" and resid  107 and name  HD1) (segid "   A" and resid  107 and name  HG2) 1.913 0.458 0.458 weight 1.000 ! spec=13C, no=2909, id=2605, vol=1.470000e+06
assign (segid "   A" and resid  107 and name   HA) (segid "   A" and resid  108 and name   HN) 3.662 1.677 1.677 weight 1.000 ! spec=13C, no=2910, id=2606, vol=2.990000e+04
assign (segid "   A" and resid  108 and name  HB2) (segid "   A" and resid  108 and name   HN) 2.188 0.598 0.598 weight 1.000 ! spec=13C, no=2912, id=2608, vol=6.580000e+05
assign (segid "   A" and resid  108 and name  HB1) (segid "   A" and resid  108 and name   HN) 2.027 0.514 0.514 weight 1.000 ! spec=13C, no=2913, id=2609, vol=1.040000e+06
assign (segid "   A" and resid  108 and name   HA) (segid "   A" and resid   42 and name  HB2) 2.675 0.894 0.894 weight 1.000 ! spec=13C, no=2914, id=2610, vol=1.970000e+05
assign (segid "   A" and resid  108 and name  HB2) (segid "   A" and resid  108 and name   HA) 2.092 0.547 0.547 weight 1.000 ! spec=13C, no=2916, id=2611, vol=8.600000e+05
assign (segid "   A" and resid  108 and name  HB1) (segid "   A" and resid  108 and name   HA) 2.744 0.941 0.941 weight 1.000 ! spec=13C, no=2922, id=2616, vol=1.690000e+05
assign (segid "   A" and resid  108 and name  HB1) (segid "   A" and resid  108 and name  HD1) 3.240 1.312 1.312 weight 1.000 ! spec=13C, no=2925, id=2618, vol=6.240000e+04
assign (segid "   A" and resid  108 and name   HA) (segid "   A" and resid  109 and name   HN) 4.959 3.074 3.074 weight 1.000 ! spec=13C, no=2926, id=2619, vol=4.850000e+03
assign (segid "   A" and resid  109 and name  HD2) (segid "   A" and resid  109 and name   HN) 3.251 1.321 1.321 weight 1.000 ! spec=13C, no=2929, id=2622, vol=6.110000e+04
assign (segid "   A" and resid  109 and name  HB2) (segid "   A" and resid  109 and name   HA) 4.208 2.213 2.213 weight 1.000 ! spec=13C, no=2931, id=2623, vol=1.300000e+04
assign (segid "   A" and resid  109 and name  HD2) (segid "   A" and resid  109 and name   HA) 3.365 1.415 1.415 weight 1.000 ! spec=13C, no=2932, id=2624, vol=4.970000e+04
assign (segid "   A" and resid  109 and name  HD2) (segid "   A" and resid  109 and name  HB2) 2.042 0.521 0.521 weight 1.000 ! spec=13C, no=2936, id=2627, vol=9.940000e+05
assign (segid "   A" and resid  109 and name  HG2) (segid "   A" and resid  109 and name  HB2) 2.605 0.848 0.848 weight 1.000 ! spec=13C, no=2938, id=2629, vol=2.310000e+05
assign (segid "   A" and resid  109 and name  HG2) (segid "   A" and resid  109 and name  HD2) 2.497 0.779 0.779 weight 1.000 ! spec=13C, no=2943, id=2633, vol=2.980000e+05
assign (segid "   A" and resid  109 and name  HE2) (segid "   A" and resid  106 and name   HA) 2.870 1.030 1.030 weight 1.000 ! spec=13C, no=2944, id=2634, vol=1.290000e+05
assign (segid "   A" and resid  109 and name   HA) (segid "   A" and resid  109 and name  HE2) 3.305 1.365 1.365 weight 1.000 ! spec=13C, no=2945, id=2635, vol=5.540000e+04
assign (segid "   A" and resid  109 and name  HE2) (segid "   A" and resid  109 and name  HB2) 3.664 1.678 1.678 weight 1.000 ! spec=13C, no=2946, id=2636, vol=2.980000e+04
assign (segid "   A" and resid  109 and name  HE2) (segid "   A" and resid  109 and name  HD2) 2.859 1.022 1.022 weight 1.000 ! spec=13C, no=2947, id=2637, vol=1.320000e+05
assign (segid "   A" and resid  109 and name  HG2) (segid "   A" and resid  109 and name  HE2) 3.092 1.195 1.195 weight 1.000 ! spec=13C, no=2949, id=2638, vol=8.250000e+04
assign (segid "   A" and resid  109 and name  HG2) (segid "   A" and resid  109 and name   HA) 3.538 1.564 1.564 weight 1.000 ! spec=13C, no=2950, id=2639, vol=3.680000e+04
assign (segid "   A" and resid  107 and name   HA) (segid "   A" and resid  110 and name   HN) 4.800 2.880 2.880 weight 1.000 ! spec=13C, no=2955, id=2643, vol=5.900000e+03
assign (segid "   A" and resid  111 and name   HA) (segid "   A" and resid  110 and name   HN) 3.209 1.287 1.287 weight 1.000 ! spec=13C, no=2959, id=2647, vol=6.610000e+04
assign (segid "   A" and resid  109 and name  HG2) (segid "   A" and resid  110 and name   HA) 3.229 1.303 1.303 weight 1.000 ! spec=13C, no=2960, id=2648, vol=6.370000e+04
assign (segid "   A" and resid  110 and name  HB2) (segid "   A" and resid  110 and name   HA) 3.131 1.225 1.225 weight 1.000 ! spec=13C, no=2962, id=2649, vol=7.660000e+04
assign (segid "   A" and resid  113 and name  HD2) (segid "   A" and resid  110 and name   HA) 4.511 2.544 2.544 weight 1.000 ! spec=13C, no=2964, id=2651, vol=8.560000e+03
assign (segid "   A" and resid  111 and name   HA) (segid "   A" and resid  110 and name  HB2) 3.367 1.417 1.417 weight 1.000 ! spec=13C, no=2969, id=2655, vol=4.950000e+04
assign (segid "   A" and resid  110 and name  HG2) (segid "   A" and resid  110 and name   HA) 3.215 1.292 1.292 weight 1.000 ! spec=13C, no=2970, id=2656, vol=6.530000e+04
assign (segid "   A" and resid  110 and name  HG2) (segid "   A" and resid  110 and name  HB2) 2.113 0.558 0.558 weight 1.000 ! spec=13C, no=2971, id=2657, vol=8.110000e+05
assign (segid "   A" and resid  113 and name  HG1) (segid "   A" and resid  110 and name  HG2) 2.509 0.787 0.787 weight 1.000 ! spec=13C, no=2973, id=2658, vol=2.890000e+05
assign (segid "   A" and resid  110 and name   HA) (segid "   A" and resid  111 and name   HN) 3.349 1.402 1.402 weight 1.000 ! spec=13C, no=2974, id=2659, vol=5.110000e+04
assign (segid "   A" and resid  112 and name   HA) (segid "   A" and resid  111 and name   HN) 4.388 2.407 2.407 weight 1.000 ! spec=13C, no=2977, id=2662, vol=1.010000e+04
assign (segid "   A" and resid   38 and name  HD2) (segid "   A" and resid  111 and name  HB2) 2.917 1.064 1.064 weight 1.000 ! spec=13C, no=2980, id=2664, vol=1.170000e+05
assign (segid "   A" and resid   39 and name  HG2) (segid "   A" and resid  111 and name  HB2) 4.186 2.191 2.191 weight 1.000 ! spec=13C, no=2983, id=2667, vol=1.340000e+04
assign (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid  111 and name  HB2) 3.852 1.854 1.854 weight 1.000 ! spec=13C, no=2984, id=2668, vol=2.210000e+04
assign (segid "   A" and resid  111 and name  HB2) (segid "   A" and resid  111 and name   HA) 2.943 1.083 1.083 weight 1.000 ! spec=13C, no=2985, id=2669, vol=1.110000e+05
assign (segid "   A" and resid  111 and name   HA) (segid "   A" and resid  111 and name   HG) 3.179 1.263 1.263 weight 1.000 ! spec=13C, no=2987, id=2670, vol=6.990000e+04
assign (segid "   A" and resid  111 and name  HB2) (segid "   A" and resid  111 and name   HG) 2.939 1.080 1.080 weight 1.000 ! spec=13C, no=2988, id=2671, vol=1.120000e+05
assign (segid "   A" and resid  112 and name  HB2) (segid "   A" and resid  112 and name   HN) 7.762 7.530 7.530 weight 1.000 ! spec=13C, no=2991, id=2674, vol=3.300000e+02
assign (segid "   A" and resid  112 and name   HG) (segid "   A" and resid  112 and name   HN) 3.366 1.416 1.416 weight 1.000 ! spec=13C, no=2994, id=2677, vol=4.960000e+04
assign (segid "   A" and resid   39 and name  HG2) (segid "   A" and resid  112 and name   HA) 5.855 4.286 4.286 weight 1.000 ! spec=13C, no=2995, id=2678, vol=1.790000e+03
assign (segid "   A" and resid  112 and name HD22) (segid "   A" and resid  112 and name   HA) 3.837 1.841 1.841 weight 1.000 ! spec=13C, no=2999, id=2681, vol=2.260000e+04
assign (segid "   A" and resid  112 and name   HG) (segid "   A" and resid  112 and name   HA) 2.581 0.833 0.833 weight 1.000 ! spec=13C, no=3000, id=2682, vol=2.440000e+05
assign (segid "   A" and resid  112 and name  HB2) (segid "   A" and resid  112 and name   HA) 3.690 1.702 1.702 weight 1.000 ! spec=13C, no=3001, id=2683, vol=2.860000e+04
assign (segid "   A" and resid  112 and name HD12) (segid "   A" and resid  112 and name  HB2) 2.998 1.123 1.123 weight 1.000 ! spec=13C, no=3004, id=2685, vol=9.940000e+04
assign (segid "   A" and resid  112 and name HD22) (segid "   A" and resid  112 and name  HB2) 3.293 1.355 1.355 weight 1.000 ! spec=13C, no=3005, id=2686, vol=5.660000e+04
assign (segid "   A" and resid  112 and name   HG) (segid "   A" and resid  112 and name  HB2) 1.725 0.372 0.372 weight 1.000 ! spec=13C, no=3006, id=2687, vol=2.740000e+06
assign (segid "   A" and resid  112 and name   HA) (segid "   A" and resid  112 and name  HB1) 3.448 1.486 1.486 weight 1.000 ! spec=13C, no=3007, id=2688, vol=4.290000e+04
assign (segid "   A" and resid  112 and name HD12) (segid "   A" and resid  112 and name  HB1) 3.148 1.239 1.239 weight 1.000 ! spec=13C, no=3010, id=2690, vol=7.410000e+04
assign (segid "   A" and resid  112 and name HD22) (segid "   A" and resid  112 and name  HB1) 2.752 0.947 0.947 weight 1.000 ! spec=13C, no=3011, id=2691, vol=1.660000e+05
assign (segid "   A" and resid  112 and name   HG) (segid "   A" and resid  112 and name  HB1) 1.848 0.427 0.427 weight 1.000 ! spec=13C, no=3012, id=2692, vol=1.810000e+06
assign (segid "   A" and resid  112 and name HD12) (segid "   A" and resid  112 and name   HG) 2.333 0.680 0.680 weight 1.000 ! spec=13C, no=3016, id=2696, vol=4.480000e+05
assign (segid "   A" and resid  112 and name HD22) (segid "   A" and resid  112 and name   HG) 3.033 1.150 1.150 weight 1.000 ! spec=13C, no=3017, id=2697, vol=9.260000e+04
assign (segid "   A" and resid  112 and name HD12) (segid "   A" and resid  112 and name   HA) 3.683 1.696 1.696 weight 1.000 ! spec=13C, no=3019, id=2698, vol=2.890000e+04
assign (segid "   A" and resid  112 and name HD22) (segid "   A" and resid  112 and name HD12) 2.693 0.907 0.907 weight 1.000 ! spec=13C, no=3023, id=2701, vol=1.890000e+05
assign (segid "   A" and resid  111 and name   HA) (segid "   A" and resid  113 and name   HN) 2.961 1.096 1.096 weight 1.000 ! spec=13C, no=3029, id=2706, vol=1.070000e+05
assign (segid "   A" and resid  112 and name   HA) (segid "   A" and resid  113 and name   HN) 4.001 2.001 2.001 weight 1.000 ! spec=13C, no=3030, id=2707, vol=1.760000e+04
assign (segid "   A" and resid  112 and name HD12) (segid "   A" and resid  113 and name   HN) 5.031 3.164 3.164 weight 1.000 ! spec=13C, no=3031, id=2708, vol=4.450000e+03
assign (segid "   A" and resid  113 and name   HA) (segid "   A" and resid  113 and name   HN) 3.843 1.846 1.846 weight 1.000 ! spec=13C, no=3032, id=2709, vol=2.240000e+04
assign (segid "   A" and resid  113 and name  HB1) (segid "   A" and resid  113 and name   HN) 3.783 1.789 1.789 weight 1.000 ! spec=13C, no=3034, id=2711, vol=2.460000e+04
assign (segid "   A" and resid  113 and name  HD2) (segid "   A" and resid  113 and name   HN) 4.295 2.305 2.305 weight 1.000 ! spec=13C, no=3035, id=2712, vol=1.150000e+04
assign (segid "   A" and resid  113 and name  HG1) (segid "   A" and resid  113 and name   HN) 3.322 1.379 1.379 weight 1.000 ! spec=13C, no=3037, id=2714, vol=5.370000e+04
assign (segid "   A" and resid  113 and name  HB2) (segid "   A" and resid  113 and name   HA) 2.599 0.844 0.844 weight 1.000 ! spec=13C, no=3039, id=2715, vol=2.340000e+05
assign (segid "   A" and resid  113 and name  HB1) (segid "   A" and resid  113 and name   HA) 2.744 0.941 0.941 weight 1.000 ! spec=13C, no=3040, id=2716, vol=1.690000e+05
assign (segid "   A" and resid  113 and name  HD2) (segid "   A" and resid  113 and name   HA) 3.802 1.807 1.807 weight 1.000 ! spec=13C, no=3041, id=2717, vol=2.390000e+04
assign (segid "   A" and resid  113 and name  HB1) (segid "   A" and resid  113 and name  HB2) 2.017 0.509 0.509 weight 1.000 ! spec=13C, no=3044, id=2719, vol=1.070000e+06
assign (segid "   A" and resid  113 and name  HD2) (segid "   A" and resid  113 and name  HB1) 3.008 1.131 1.131 weight 1.000 ! spec=13C, no=3049, id=2723, vol=9.730000e+04
assign (segid "   A" and resid  110 and name  HG2) (segid "   A" and resid  113 and name  HD2) 4.073 2.074 2.074 weight 1.000 ! spec=13C, no=3050, id=2724, vol=1.580000e+04
assign (segid "   A" and resid  113 and name  HD2) (segid "   A" and resid  113 and name  HB2) 2.985 1.114 1.114 weight 1.000 ! spec=13C, no=3052, id=2726, vol=1.020000e+05
assign (segid "   A" and resid  113 and name  HG2) (segid "   A" and resid  113 and name  HD2) 2.163 0.585 0.585 weight 1.000 ! spec=13C, no=3055, id=2728, vol=7.040000e+05
assign (segid "   A" and resid  110 and name   HA) (segid "   A" and resid  113 and name  HG2) 3.849 1.852 1.852 weight 1.000 ! spec=13C, no=3056, id=2729, vol=2.220000e+04
assign (segid "   A" and resid  113 and name   HA) (segid "   A" and resid  113 and name  HG2) 3.469 1.504 1.504 weight 1.000 ! spec=13C, no=3057, id=2730, vol=4.140000e+04
assign (segid "   A" and resid  113 and name  HB2) (segid "   A" and resid  113 and name  HG2) 2.115 0.559 0.559 weight 1.000 ! spec=13C, no=3058, id=2731, vol=8.050000e+05
assign (segid "   A" and resid  113 and name  HB1) (segid "   A" and resid  113 and name  HG2) 2.210 0.610 0.610 weight 1.000 ! spec=13C, no=3059, id=2732, vol=6.200000e+05
assign (segid "   A" and resid  113 and name   HA) (segid "   A" and resid  113 and name  HG1) 2.677 0.896 0.896 weight 1.000 ! spec=13C, no=3062, id=2734, vol=1.960000e+05
assign (segid "   A" and resid  113 and name  HB2) (segid "   A" and resid  113 and name  HG1) 1.988 0.494 0.494 weight 1.000 ! spec=13C, no=3063, id=2735, vol=1.170000e+06
assign (segid "   A" and resid  113 and name  HB1) (segid "   A" and resid  113 and name  HG1) 2.409 0.726 0.726 weight 1.000 ! spec=13C, no=3064, id=2736, vol=3.690000e+05
assign (segid "   A" and resid  113 and name  HD2) (segid "   A" and resid  113 and name  HG1) 3.746 1.754 1.754 weight 1.000 ! spec=13C, no=3065, id=2737, vol=2.610000e+04
assign (segid "   A" and resid  114 and name  HB2) (segid "   A" and resid  114 and name   HN) 5.632 3.965 3.965 weight 1.000 ! spec=13C, no=3068, id=2739, vol=2.260000e+03
assign (segid "   A" and resid  114 and name   HG) (segid "   A" and resid  114 and name   HA) 2.818 0.993 0.993 weight 1.000 ! spec=13C, no=3077, id=2747, vol=1.440000e+05
assign (segid "   A" and resid  114 and name  HB2) (segid "   A" and resid  114 and name   HA) 2.181 0.595 0.595 weight 1.000 ! spec=13C, no=3079, id=2749, vol=6.700000e+05
assign (segid "   A" and resid  114 and name HD12) (segid "   A" and resid  114 and name  HB2) 2.642 0.873 0.873 weight 1.000 ! spec=13C, no=3082, id=2751, vol=2.120000e+05
assign (segid "   A" and resid  114 and name  HB1) (segid "   A" and resid  114 and name   HA) 2.073 0.537 0.537 weight 1.000 ! spec=13C, no=3084, id=2753, vol=9.090000e+05
assign (segid "   A" and resid  114 and name HD12) (segid "   A" and resid  114 and name  HB1) 2.562 0.821 0.821 weight 1.000 ! spec=13C, no=3087, id=2755, vol=2.550000e+05
assign (segid "   A" and resid  114 and name HD22) (segid "   A" and resid  114 and name  HB1) 2.282 0.651 0.651 weight 1.000 ! spec=13C, no=3088, id=2756, vol=5.110000e+05
assign (segid "   A" and resid  114 and name  HB2) (segid "   A" and resid  114 and name   HG) 3.330 1.386 1.386 weight 1.000 ! spec=13C, no=3090, id=2758, vol=5.290000e+04
assign (segid "   A" and resid  114 and name  HB1) (segid "   A" and resid  114 and name   HG) 3.383 1.431 1.431 weight 1.000 ! spec=13C, no=3091, id=2759, vol=4.810000e+04
assign (segid "   A" and resid  114 and name HD12) (segid "   A" and resid  114 and name   HG) 2.273 0.646 0.646 weight 1.000 ! spec=13C, no=3092, id=2760, vol=5.230000e+05
assign (segid "   A" and resid  114 and name HD22) (segid "   A" and resid  114 and name   HG) 2.385 0.711 0.711 weight 1.000 ! spec=13C, no=3093, id=2761, vol=3.920000e+05
assign (segid "   A" and resid  114 and name HD12) (segid "   A" and resid  114 and name   HA) 2.365 0.699 0.699 weight 1.000 ! spec=13C, no=3095, id=2762, vol=4.120000e+05
assign (segid "   A" and resid  114 and name HD22) (segid "   A" and resid  114 and name HD12) 1.535 0.295 0.295 weight 1.000 ! spec=13C, no=3099, id=2765, vol=5.510000e+06
assign (segid "   A" and resid  114 and name HD22) (segid "   A" and resid  114 and name   HA) 2.733 0.934 0.934 weight 1.000 ! spec=13C, no=3100, id=2766, vol=1.730000e+05
assign (segid "   A" and resid  114 and name HD22) (segid "   A" and resid  114 and name  HB2) 4.340 2.354 2.354 weight 1.000 ! spec=13C, no=3101, id=2767, vol=1.080000e+04
assign (segid "   A" and resid  113 and name  HD2) (segid "   A" and resid  115 and name   HN) 3.875 1.877 1.877 weight 1.000 ! spec=13C, no=3106, id=2771, vol=2.130000e+04
assign (segid "   A" and resid  115 and name  HB1) (segid "   A" and resid  115 and name   HN) 4.044 2.044 2.044 weight 1.000 ! spec=13C, no=3109, id=2774, vol=1.650000e+04
assign (segid "   A" and resid  115 and name  HB2) (segid "   A" and resid  115 and name   HA) 3.723 1.732 1.732 weight 1.000 ! spec=13C, no=3111, id=2775, vol=2.710000e+04
assign (segid "   A" and resid  115 and name  HB1) (segid "   A" and resid  115 and name   HA) 3.894 1.895 1.895 weight 1.000 ! spec=13C, no=3112, id=2776, vol=2.070000e+04
assign (segid "   A" and resid  113 and name  HD2) (segid "   A" and resid  115 and name  HB2) 3.766 1.773 1.773 weight 1.000 ! spec=13C, no=3113, id=2777, vol=2.530000e+04
assign (segid "   B" and resid  120 and name   HB) (segid "   B" and resid  120 and name   HA) 2.093 0.548 0.548 weight 1.000 ! spec=13C, no=3121, id=2782, vol=8.580000e+05
assign (segid "   B" and resid  121 and name   HA) (segid "   B" and resid  120 and name   HA) 3.366 1.416 1.416 weight 1.000 ! spec=13C, no=3122, id=2783, vol=4.960000e+04
assign (segid "   B" and resid  121 and name  HB2) (segid "   B" and resid  120 and name   HA) 2.867 1.027 1.027 weight 1.000 ! spec=13C, no=3123, id=2784, vol=1.300000e+05
assign (segid "   B" and resid  121 and name  HG2) (segid "   B" and resid  120 and name   HA) 3.477 1.512 1.512 weight 1.000 ! spec=13C, no=3124, id=2785, vol=4.080000e+04
assign (segid "   B" and resid  120 and name   HB) (segid "   B" and resid  121 and name   HN) 2.247 0.631 0.631 weight 1.000 ! spec=13C, no=3128, id=2788, vol=5.610000e+05
assign (segid "   B" and resid  121 and name  HB2) (segid "   B" and resid  121 and name   HA) 2.491 0.776 0.776 weight 1.000 ! spec=13C, no=3134, id=2793, vol=3.020000e+05
assign (segid "   B" and resid  121 and name  HG2) (segid "   B" and resid  121 and name   HA) 3.778 1.784 1.784 weight 1.000 ! spec=13C, no=3135, id=2794, vol=2.480000e+04
assign (segid "   B" and resid  121 and name  HG2) (segid "   B" and resid  121 and name  HB2) 1.943 0.472 0.472 weight 1.000 ! spec=13C, no=3145, id=2803, vol=1.340000e+06
assign (segid "   B" and resid  121 and name   HA) (segid "   B" and resid  122 and name   HN) 2.859 1.022 1.022 weight 1.000 ! spec=13C, no=3147, id=2804, vol=1.320000e+05
assign (segid "   B" and resid  121 and name  HG2) (segid "   B" and resid  122 and name   HN) 3.011 1.133 1.133 weight 1.000 ! spec=13C, no=3149, id=2806, vol=9.680000e+04
assign (segid "   B" and resid  122 and name  HB2) (segid "   B" and resid  122 and name   HN) 2.609 0.851 0.851 weight 1.000 ! spec=13C, no=3151, id=2808, vol=2.290000e+05
assign (segid "   B" and resid  122 and name   HA) (segid "   B" and resid  121 and name   HA) 3.054 1.166 1.166 weight 1.000 ! spec=13C, no=3153, id=2810, vol=8.900000e+04
assign (segid "   B" and resid  122 and name  HB2) (segid "   B" and resid  122 and name   HA) 2.661 0.885 0.885 weight 1.000 ! spec=13C, no=3155, id=2811, vol=2.030000e+05
assign (segid "   B" and resid  122 and name  HG2) (segid "   B" and resid  122 and name   HA) 2.067 0.534 0.534 weight 1.000 ! spec=13C, no=3156, id=2812, vol=9.240000e+05
assign (segid "   B" and resid  123 and name   HA) (segid "   B" and resid  122 and name   HA) 4.730 2.797 2.797 weight 1.000 ! spec=13C, no=3157, id=2813, vol=6.440000e+03
assign (segid "   B" and resid  125 and name   HA) (segid "   B" and resid  122 and name   HA) 2.514 0.790 0.790 weight 1.000 ! spec=13C, no=3158, id=2814, vol=2.860000e+05
assign (segid "   B" and resid  125 and name  HB2) (segid "   B" and resid  122 and name   HA) 5.739 4.117 4.117 weight 1.000 ! spec=13C, no=3159, id=2815, vol=2.020000e+03
assign (segid "   B" and resid  123 and name   HA) (segid "   B" and resid  122 and name  HB2) 3.495 1.527 1.527 weight 1.000 ! spec=13C, no=3163, id=2818, vol=3.960000e+04
assign (segid "   B" and resid  125 and name  HB2) (segid "   B" and resid  122 and name  HB2) 3.057 1.168 1.168 weight 1.000 ! spec=13C, no=3164, id=2819, vol=8.840000e+04
assign (segid "   B" and resid  122 and name  HG2) (segid "   B" and resid  122 and name  HB2) 2.030 0.515 0.515 weight 1.000 ! spec=13C, no=3166, id=2821, vol=1.030000e+06
assign (segid "   B" and resid  125 and name  HB2) (segid "   B" and resid  122 and name  HG2) 3.081 1.187 1.187 weight 1.000 ! spec=13C, no=3168, id=2822, vol=8.430000e+04
assign (segid "   B" and resid  121 and name  HB2) (segid "   B" and resid  123 and name   HN) 3.312 1.371 1.371 weight 1.000 ! spec=13C, no=3170, id=2824, vol=5.470000e+04
assign (segid "   B" and resid  122 and name  HG2) (segid "   B" and resid  123 and name   HN) 2.356 0.694 0.694 weight 1.000 ! spec=13C, no=3173, id=2827, vol=4.220000e+05
assign (segid "   B" and resid  123 and name  HG2) (segid "   B" and resid  123 and name   HA) 3.193 1.274 1.274 weight 1.000 ! spec=13C, no=3182, id=2835, vol=6.810000e+04
assign (segid "   B" and resid  124 and name   HA) (segid "   B" and resid  123 and name   HA) 3.810 1.814 1.814 weight 1.000 ! spec=13C, no=3183, id=2836, vol=2.360000e+04
assign (segid "   B" and resid  126 and name   HA) (segid "   B" and resid  123 and name   HA) 9.335 9.335 10.894 weight 1.000 ! spec=13C, no=3184, id=2837, vol=1.090000e+02
assign (segid "   B" and resid  123 and name  HB2) (segid "   B" and resid  123 and name   HA) 3.495 1.527 1.527 weight 1.000 ! spec=13C, no=3188, id=2841, vol=3.960000e+04
assign (segid "   B" and resid  123 and name  HG2) (segid "   B" and resid  123 and name  HB2) 2.017 0.509 0.509 weight 1.000 ! spec=13C, no=3192, id=2844, vol=1.070000e+06
assign (segid "   B" and resid  124 and name   HB) (segid "   B" and resid  123 and name  HG2) 3.544 1.570 1.570 weight 1.000 ! spec=13C, no=3195, id=2846, vol=3.640000e+04
assign (segid "   B" and resid  121 and name   HA) (segid "   B" and resid  124 and name   HN) 2.781 0.967 0.967 weight 1.000 ! spec=13C, no=3196, id=2847, vol=1.560000e+05
assign (segid "   B" and resid  123 and name  HG2) (segid "   B" and resid  124 and name   HN) 3.150 1.240 1.240 weight 1.000 ! spec=13C, no=3201, id=2852, vol=7.390000e+04
assign (segid "   B" and resid  125 and name   HA) (segid "   B" and resid  124 and name   HN) 6.748 5.692 5.692 weight 1.000 ! spec=13C, no=3204, id=2855, vol=7.640000e+02
assign (segid "   B" and resid  123 and name  HB2) (segid "   B" and resid  124 and name   HA) 3.849 1.852 1.852 weight 1.000 ! spec=13C, no=3206, id=2857, vol=2.220000e+04
assign (segid "   B" and resid  124 and name   HA) (segid "   B" and resid  123 and name  HG2) 3.556 1.580 1.580 weight 1.000 ! spec=13C, no=3207, id=2858, vol=3.570000e+04
assign (segid "   B" and resid  124 and name   HB) (segid "   B" and resid  124 and name   HA) 3.510 1.540 1.540 weight 1.000 ! spec=13C, no=3209, id=2859, vol=3.860000e+04
assign (segid "   B" and resid  125 and name   HA) (segid "   B" and resid  124 and name   HA) 3.311 1.370 1.370 weight 1.000 ! spec=13C, no=3210, id=2860, vol=5.480000e+04
assign (segid "   B" and resid  127 and name  HB2) (segid "   B" and resid  124 and name   HA) 3.664 1.678 1.678 weight 1.000 ! spec=13C, no=3212, id=2862, vol=2.980000e+04
assign (segid "   B" and resid  184 and name HD12) (segid "   B" and resid  124 and name   HA) 3.640 1.657 1.657 weight 1.000 ! spec=13C, no=3213, id=2863, vol=3.100000e+04
assign (segid "   B" and resid  120 and name   HB) (segid "   B" and resid  124 and name   HB) 3.541 1.567 1.567 weight 1.000 ! spec=13C, no=3215, id=2865, vol=3.660000e+04
assign (segid "   B" and resid  121 and name   HA) (segid "   B" and resid  124 and name   HB) 2.831 1.002 1.002 weight 1.000 ! spec=13C, no=3216, id=2866, vol=1.400000e+05
assign (segid "   B" and resid  123 and name   HA) (segid "   B" and resid  124 and name   HB) 3.495 1.527 1.527 weight 1.000 ! spec=13C, no=3218, id=2868, vol=3.960000e+04
assign (segid "   B" and resid  125 and name   HA) (segid "   B" and resid  124 and name   HB) 4.659 2.714 2.714 weight 1.000 ! spec=13C, no=3221, id=2870, vol=7.050000e+03
assign (segid "   B" and resid  125 and name  HB2) (segid "   B" and resid  124 and name   HB) 3.057 1.168 1.168 weight 1.000 ! spec=13C, no=3222, id=2871, vol=8.840000e+04
assign (segid "   B" and resid  120 and name   HB) (segid "   B" and resid  125 and name   HN) 5.068 3.210 3.210 weight 1.000 ! spec=13C, no=3223, id=2872, vol=4.260000e+03
assign (segid "   B" and resid  121 and name   HA) (segid "   B" and resid  125 and name   HN) 2.930 1.073 1.073 weight 1.000 ! spec=13C, no=3224, id=2873, vol=1.140000e+05
assign (segid "   B" and resid  123 and name   HA) (segid "   B" and resid  125 and name   HN) 3.834 1.838 1.838 weight 1.000 ! spec=13C, no=3227, id=2876, vol=2.270000e+04
assign (segid "   B" and resid  124 and name   HB) (segid "   B" and resid  125 and name   HN) 1.855 0.430 0.430 weight 1.000 ! spec=13C, no=3229, id=2878, vol=1.770000e+06
assign (segid "   B" and resid  125 and name  HB2) (segid "   B" and resid  125 and name   HA) 2.571 0.826 0.826 weight 1.000 ! spec=13C, no=3236, id=2884, vol=2.500000e+05
assign (segid "   B" and resid  128 and name   HA) (segid "   B" and resid  125 and name   HA) 3.055 1.166 1.166 weight 1.000 ! spec=13C, no=3238, id=2886, vol=8.880000e+04
assign (segid "   B" and resid  128 and name  HG2) (segid "   B" and resid  125 and name   HA) 3.081 1.186 1.186 weight 1.000 ! spec=13C, no=3240, id=2888, vol=8.440000e+04
assign (segid "   B" and resid  123 and name   HA) (segid "   B" and resid  126 and name   HN) 3.557 1.582 1.582 weight 1.000 ! spec=13C, no=3242, id=2890, vol=3.560000e+04
assign (segid "   B" and resid  124 and name   HA) (segid "   B" and resid  126 and name   HN) 6.137 4.708 4.708 weight 1.000 ! spec=13C, no=3243, id=2891, vol=1.350000e+03
assign (segid "   B" and resid  125 and name   HA) (segid "   B" and resid  126 and name   HN) 3.148 1.239 1.239 weight 1.000 ! spec=13C, no=3244, id=2892, vol=7.410000e+04
assign (segid "   B" and resid  126 and name  HG2) (segid "   B" and resid  126 and name   HN) 2.775 0.963 0.963 weight 1.000 ! spec=13C, no=3248, id=2896, vol=1.580000e+05
assign (segid "   B" and resid  126 and name  HB2) (segid "   B" and resid  126 and name   HA) 2.728 0.930 0.930 weight 1.000 ! spec=13C, no=3254, id=2901, vol=1.750000e+05
assign (segid "   B" and resid  127 and name   HA) (segid "   B" and resid  126 and name   HA) 2.882 1.038 1.038 weight 1.000 ! spec=13C, no=3256, id=2903, vol=1.260000e+05
assign (segid "   B" and resid  129 and name   HA) (segid "   B" and resid  126 and name   HA) 2.856 1.019 1.019 weight 1.000 ! spec=13C, no=3257, id=2904, vol=1.330000e+05
assign (segid "   B" and resid  126 and name  HG2) (segid "   B" and resid  126 and name  HB2) 1.804 0.407 0.407 weight 1.000 ! spec=13C, no=3262, id=2908, vol=2.090000e+06
assign (segid "   B" and resid  126 and name  HG2) (segid "   B" and resid  126 and name   HA) 3.804 1.809 1.809 weight 1.000 ! spec=13C, no=3263, id=2909, vol=2.380000e+04
assign (segid "   B" and resid  127 and name  HB2) (segid "   B" and resid  126 and name  HG2) 3.455 1.492 1.492 weight 1.000 ! spec=13C, no=3267, id=2912, vol=4.240000e+04
assign (segid "   B" and resid  130 and name  HB2) (segid "   B" and resid  126 and name  HG2) 10.003 10.003 12.508 weight 1.000 ! spec=13C, no=3268, id=2913, vol=7.200000e+01
assign (segid "   B" and resid  124 and name   HA) (segid "   B" and resid  127 and name   HN) 3.450 1.488 1.488 weight 1.000 ! spec=13C, no=3270, id=2915, vol=4.280000e+04
assign (segid "   B" and resid  125 and name   HA) (segid "   B" and resid  127 and name   HN) 3.751 1.759 1.759 weight 1.000 ! spec=13C, no=3271, id=2916, vol=2.590000e+04
assign (segid "   B" and resid  126 and name  HB2) (segid "   B" and resid  127 and name   HN) 2.957 1.093 1.093 weight 1.000 ! spec=13C, no=3273, id=2918, vol=1.080000e+05
assign (segid "   B" and resid  126 and name  HG2) (segid "   B" and resid  127 and name   HN) 2.177 0.592 0.592 weight 1.000 ! spec=13C, no=3274, id=2919, vol=6.780000e+05
assign (segid "   B" and resid  128 and name   HA) (segid "   B" and resid  127 and name   HN) 3.564 1.588 1.588 weight 1.000 ! spec=13C, no=3277, id=2922, vol=3.520000e+04
assign (segid "   B" and resid  126 and name  HB2) (segid "   B" and resid  127 and name   HA) 3.073 1.181 1.181 weight 1.000 ! spec=13C, no=3279, id=2924, vol=8.560000e+04
assign (segid "   B" and resid  127 and name   HA) (segid "   B" and resid  126 and name  HG2) 2.675 0.894 0.894 weight 1.000 ! spec=13C, no=3280, id=2925, vol=1.970000e+05
assign (segid "   B" and resid  128 and name   HA) (segid "   B" and resid  127 and name   HA) 3.042 1.157 1.157 weight 1.000 ! spec=13C, no=3283, id=2927, vol=9.100000e+04
assign (segid "   B" and resid  130 and name   HA) (segid "   B" and resid  127 and name   HA) 3.117 1.215 1.215 weight 1.000 ! spec=13C, no=3284, id=2928, vol=7.860000e+04
assign (segid "   B" and resid  130 and name  HB2) (segid "   B" and resid  127 and name   HA) 4.692 2.752 2.752 weight 1.000 ! spec=13C, no=3285, id=2929, vol=6.760000e+03
assign (segid "   B" and resid  124 and name   HB) (segid "   B" and resid  127 and name  HB2) 3.498 1.529 1.529 weight 1.000 ! spec=13C, no=3287, id=2931, vol=3.940000e+04
assign (segid "   B" and resid  127 and name  HB2) (segid "   B" and resid  127 and name   HA) 2.564 0.822 0.822 weight 1.000 ! spec=13C, no=3288, id=2932, vol=2.540000e+05
assign (segid "   B" and resid  184 and name HD12) (segid "   B" and resid  127 and name  HB2) 3.723 1.732 1.732 weight 1.000 ! spec=13C, no=3291, id=2934, vol=2.710000e+04
assign (segid "   B" and resid  184 and name   HG) (segid "   B" and resid  127 and name  HB2) 4.012 2.012 2.012 weight 1.000 ! spec=13C, no=3292, id=2935, vol=1.730000e+04
assign (segid "   B" and resid  126 and name  HB2) (segid "   B" and resid  127 and name  HD2) 3.514 1.544 1.544 weight 1.000 ! spec=13C, no=3294, id=2937, vol=3.830000e+04
assign (segid "   B" and resid  126 and name  HG2) (segid "   B" and resid  127 and name  HD2) 2.254 0.635 0.635 weight 1.000 ! spec=13C, no=3295, id=2938, vol=5.500000e+05
assign (segid "   B" and resid  127 and name  HB2) (segid "   B" and resid  127 and name  HD2) 3.687 1.700 1.700 weight 1.000 ! spec=13C, no=3297, id=2940, vol=2.870000e+04
assign (segid "   B" and resid  130 and name  HB2) (segid "   B" and resid  127 and name  HD2) 3.749 1.757 1.757 weight 1.000 ! spec=13C, no=3298, id=2941, vol=2.600000e+04
assign (segid "   B" and resid  126 and name  HG2) (segid "   B" and resid  127 and name  HE2) 4.127 2.129 2.129 weight 1.000 ! spec=13C, no=3299, id=2942, vol=1.460000e+04
assign (segid "   B" and resid  127 and name  HB2) (segid "   B" and resid  127 and name  HE2) 3.746 1.754 1.754 weight 1.000 ! spec=13C, no=3300, id=2943, vol=2.610000e+04
assign (segid "   B" and resid  187 and name  HE2) (segid "   B" and resid  127 and name  HE2) 2.772 0.961 0.961 weight 1.000 ! spec=13C, no=3301, id=2944, vol=1.590000e+05
assign (segid "   B" and resid  187 and name  HG2) (segid "   B" and resid  127 and name  HE2) 4.077 2.078 2.078 weight 1.000 ! spec=13C, no=3302, id=2945, vol=1.570000e+04
assign (segid "   B" and resid  124 and name   HB) (segid "   B" and resid  128 and name   HN) 3.567 1.591 1.591 weight 1.000 ! spec=13C, no=3304, id=2947, vol=3.500000e+04
assign (segid "   B" and resid  128 and name  HD2) (segid "   B" and resid  128 and name   HN) 3.658 1.673 1.673 weight 1.000 ! spec=13C, no=3311, id=2954, vol=3.010000e+04
assign (segid "   B" and resid  128 and name  HG2) (segid "   B" and resid  128 and name   HN) 3.683 1.696 1.696 weight 1.000 ! spec=13C, no=3312, id=2955, vol=2.890000e+04
assign (segid "   B" and resid  129 and name   HA) (segid "   B" and resid  128 and name   HN) 2.952 1.089 1.089 weight 1.000 ! spec=13C, no=3313, id=2956, vol=1.090000e+05
assign (segid "   B" and resid  128 and name   HA) (segid "   B" and resid  127 and name  HB2) 3.429 1.470 1.470 weight 1.000 ! spec=13C, no=3315, id=2958, vol=4.440000e+04
assign (segid "   B" and resid  128 and name  HB2) (segid "   B" and resid  128 and name   HA) 2.901 1.052 1.052 weight 1.000 ! spec=13C, no=3317, id=2959, vol=1.210000e+05
assign (segid "   B" and resid  128 and name  HE2) (segid "   B" and resid  128 and name   HA) 3.794 1.799 1.799 weight 1.000 ! spec=13C, no=3319, id=2961, vol=2.420000e+04
assign (segid "   B" and resid  128 and name  HG2) (segid "   B" and resid  128 and name   HA) 3.163 1.251 1.251 weight 1.000 ! spec=13C, no=3320, id=2962, vol=7.200000e+04
assign (segid "   B" and resid  131 and name   HA) (segid "   B" and resid  128 and name   HA) 3.840 1.843 1.843 weight 1.000 ! spec=13C, no=3322, id=2964, vol=2.250000e+04
assign (segid "   B" and resid  131 and name  HB2) (segid "   B" and resid  128 and name   HA) 3.191 1.273 1.273 weight 1.000 ! spec=13C, no=3323, id=2965, vol=6.830000e+04
assign (segid "   B" and resid  124 and name   HA) (segid "   B" and resid  128 and name  HB2) 4.122 2.124 2.124 weight 1.000 ! spec=13C, no=3324, id=2966, vol=1.470000e+04
assign (segid "   B" and resid  128 and name  HB2) (segid "   B" and resid  125 and name   HA) 4.659 2.714 2.714 weight 1.000 ! spec=13C, no=3325, id=2967, vol=7.050000e+03
assign (segid "   B" and resid  128 and name  HD2) (segid "   B" and resid  128 and name  HB2) 2.524 0.796 0.796 weight 1.000 ! spec=13C, no=3328, id=2969, vol=2.790000e+05
assign (segid "   B" and resid  128 and name  HG2) (segid "   B" and resid  128 and name  HB2) 2.318 0.672 0.672 weight 1.000 ! spec=13C, no=3330, id=2971, vol=4.650000e+05
assign (segid "   B" and resid  128 and name  HD2) (segid "   B" and resid  128 and name   HA) 3.916 1.917 1.917 weight 1.000 ! spec=13C, no=3331, id=2972, vol=2.000000e+04
assign (segid "   B" and resid  128 and name  HE2) (segid "   B" and resid  128 and name  HD2) 3.923 1.923 1.923 weight 1.000 ! spec=13C, no=3334, id=2974, vol=1.980000e+04
assign (segid "   B" and resid  131 and name   HA) (segid "   B" and resid  128 and name  HD2) 3.547 1.573 1.573 weight 1.000 ! spec=13C, no=3336, id=2976, vol=3.620000e+04
assign (segid "   B" and resid  132 and name   HA) (segid "   B" and resid  128 and name  HD2) 3.226 1.301 1.301 weight 1.000 ! spec=13C, no=3338, id=2978, vol=6.400000e+04
assign (segid "   B" and resid  132 and name  HB2) (segid "   B" and resid  128 and name  HD2) 3.101 1.202 1.202 weight 1.000 ! spec=13C, no=3339, id=2979, vol=8.120000e+04
assign (segid "   B" and resid  128 and name  HE2) (segid "   B" and resid  128 and name  HB2) 3.758 1.766 1.766 weight 1.000 ! spec=13C, no=3340, id=2980, vol=2.560000e+04
assign (segid "   B" and resid  128 and name  HG2) (segid "   B" and resid  128 and name  HE2) 3.888 1.889 1.889 weight 1.000 ! spec=13C, no=3343, id=2982, vol=2.090000e+04
assign (segid "   B" and resid  128 and name  HG2) (segid "   B" and resid  128 and name  HD2) 2.492 0.776 0.776 weight 1.000 ! spec=13C, no=3346, id=2985, vol=3.010000e+05
assign (segid "   B" and resid  125 and name   HA) (segid "   B" and resid  129 and name   HN) 3.333 1.389 1.389 weight 1.000 ! spec=13C, no=3349, id=2987, vol=5.260000e+04
assign (segid "   B" and resid  127 and name   HA) (segid "   B" and resid  129 and name   HN) 2.849 1.014 1.014 weight 1.000 ! spec=13C, no=3351, id=2989, vol=1.350000e+05
assign (segid "   B" and resid  128 and name  HB2) (segid "   B" and resid  129 and name   HA) 3.187 1.270 1.270 weight 1.000 ! spec=13C, no=3360, id=2998, vol=6.880000e+04
assign (segid "   B" and resid  129 and name   HA) (segid "   B" and resid  128 and name  HG2) 3.112 1.211 1.211 weight 1.000 ! spec=13C, no=3361, id=2999, vol=7.940000e+04
assign (segid "   B" and resid  129 and name  HB2) (segid "   B" and resid  129 and name   HA) 2.821 0.995 0.995 weight 1.000 ! spec=13C, no=3363, id=3000, vol=1.430000e+05
assign (segid "   B" and resid  132 and name  HB2) (segid "   B" and resid  129 and name   HA) 2.043 0.522 0.522 weight 1.000 ! spec=13C, no=3367, id=3004, vol=9.910000e+05
assign (segid "   B" and resid  125 and name   HA) (segid "   B" and resid  129 and name  HB2) 3.150 1.240 1.240 weight 1.000 ! spec=13C, no=3368, id=3005, vol=7.390000e+04
assign (segid "   B" and resid  128 and name   HA) (segid "   B" and resid  129 and name  HB2) 3.171 1.257 1.257 weight 1.000 ! spec=13C, no=3370, id=3007, vol=7.090000e+04
assign (segid "   B" and resid  129 and name  HG2) (segid "   B" and resid  129 and name   HA) 3.096 1.198 1.198 weight 1.000 ! spec=13C, no=3375, id=3011, vol=8.190000e+04
assign (segid "   B" and resid  129 and name  HG2) (segid "   B" and resid  129 and name  HB2) 2.237 0.625 0.625 weight 1.000 ! spec=13C, no=3376, id=3012, vol=5.760000e+05
assign (segid "   B" and resid  126 and name  HG2) (segid "   B" and resid  130 and name   HN) 2.708 0.917 0.917 weight 1.000 ! spec=13C, no=3381, id=3016, vol=1.830000e+05
assign (segid "   B" and resid  128 and name   HA) (segid "   B" and resid  130 and name   HN) 3.127 1.222 1.222 weight 1.000 ! spec=13C, no=3383, id=3018, vol=7.720000e+04
assign (segid "   B" and resid  129 and name  HG2) (segid "   B" and resid  130 and name   HN) 2.147 0.576 0.576 weight 1.000 ! spec=13C, no=3386, id=3021, vol=7.370000e+05
assign (segid "   B" and resid  131 and name   HA) (segid "   B" and resid  130 and name   HN) 3.296 1.358 1.358 weight 1.000 ! spec=13C, no=3389, id=3024, vol=5.630000e+04
assign (segid "   B" and resid  130 and name   HA) (segid "   B" and resid  129 and name   HA) 2.856 1.019 1.019 weight 1.000 ! spec=13C, no=3390, id=3025, vol=1.330000e+05
assign (segid "   B" and resid  129 and name  HB2) (segid "   B" and resid  130 and name   HA) 2.818 0.993 0.993 weight 1.000 ! spec=13C, no=3391, id=3026, vol=1.440000e+05
assign (segid "   B" and resid  130 and name   HA) (segid "   B" and resid  129 and name  HG2) 1.911 0.457 0.457 weight 1.000 ! spec=13C, no=3392, id=3027, vol=1.480000e+06
assign (segid "   B" and resid  130 and name  HB2) (segid "   B" and resid  130 and name   HA) 4.762 2.834 2.834 weight 1.000 ! spec=13C, no=3394, id=3028, vol=6.190000e+03
assign (segid "   B" and resid  133 and name   HA) (segid "   B" and resid  130 and name   HA) 2.985 1.114 1.114 weight 1.000 ! spec=13C, no=3396, id=3030, vol=1.020000e+05
assign (segid "   B" and resid  130 and name   HA) (segid "   B" and resid  133 and name   HG) 2.889 1.044 1.044 weight 1.000 ! spec=13C, no=3398, id=3032, vol=1.240000e+05
assign (segid "   B" and resid  127 and name   HA) (segid "   B" and resid  131 and name   HN) 2.267 0.642 0.642 weight 1.000 ! spec=13C, no=3399, id=3033, vol=5.320000e+05
assign (segid "   B" and resid  129 and name   HA) (segid "   B" and resid  131 and name   HN) 4.186 2.191 2.191 weight 1.000 ! spec=13C, no=3401, id=3035, vol=1.340000e+04
assign (segid "   B" and resid  130 and name  HB2) (segid "   B" and resid  131 and name   HN) 4.360 2.376 2.376 weight 1.000 ! spec=13C, no=3403, id=3037, vol=1.050000e+04
assign (segid "   B" and resid  132 and name   HA) (segid "   B" and resid  131 and name   HN) 3.149 1.239 1.239 weight 1.000 ! spec=13C, no=3406, id=3040, vol=7.400000e+04
assign (segid "   B" and resid  131 and name   HA) (segid "   B" and resid  130 and name   HA) 2.934 1.076 1.076 weight 1.000 ! spec=13C, no=3407, id=3041, vol=1.130000e+05
assign (segid "   B" and resid  130 and name  HB2) (segid "   B" and resid  131 and name   HA) 5.190 3.367 3.367 weight 1.000 ! spec=13C, no=3408, id=3042, vol=3.690000e+03
assign (segid "   B" and resid  131 and name  HB2) (segid "   B" and resid  131 and name   HA) 3.296 1.358 1.358 weight 1.000 ! spec=13C, no=3410, id=3043, vol=5.630000e+04
assign (segid "   B" and resid  132 and name   HA) (segid "   B" and resid  131 and name   HA) 3.520 1.549 1.549 weight 1.000 ! spec=13C, no=3411, id=3044, vol=3.790000e+04
assign (segid "   B" and resid  134 and name   HA) (segid "   B" and resid  131 and name   HA) 3.763 1.770 1.770 weight 1.000 ! spec=13C, no=3412, id=3045, vol=2.540000e+04
assign (segid "   B" and resid  128 and name  HB2) (segid "   B" and resid  131 and name  HB2) 3.539 1.566 1.566 weight 1.000 ! spec=13C, no=3416, id=3049, vol=3.670000e+04
assign (segid "   B" and resid  131 and name  HB2) (segid "   B" and resid  128 and name  HD2) 2.885 1.041 1.041 weight 1.000 ! spec=13C, no=3417, id=3050, vol=1.250000e+05
assign (segid "   B" and resid  130 and name   HA) (segid "   B" and resid  131 and name  HB2) 3.601 1.621 1.621 weight 1.000 ! spec=13C, no=3418, id=3051, vol=3.310000e+04
assign (segid "   B" and resid  128 and name  HD2) (segid "   B" and resid  131 and name  HD2) 3.191 1.272 1.272 weight 1.000 ! spec=13C, no=3421, id=3053, vol=6.840000e+04
assign (segid "   B" and resid  128 and name  HE2) (segid "   B" and resid  131 and name  HD2) 4.755 2.827 2.827 weight 1.000 ! spec=13C, no=3422, id=3054, vol=6.240000e+03
assign (segid "   B" and resid  131 and name   HA) (segid "   B" and resid  131 and name  HD2) 3.863 1.866 1.866 weight 1.000 ! spec=13C, no=3423, id=3055, vol=2.170000e+04
assign (segid "   B" and resid  131 and name  HB2) (segid "   B" and resid  131 and name  HD2) 3.149 1.239 1.239 weight 1.000 ! spec=13C, no=3424, id=3056, vol=7.400000e+04
assign (segid "   B" and resid  132 and name   HA) (segid "   B" and resid  131 and name  HD2) 3.781 1.787 1.787 weight 1.000 ! spec=13C, no=3425, id=3057, vol=2.470000e+04
assign (segid "   B" and resid  131 and name  HB2) (segid "   B" and resid  131 and name  HE2) 5.326 3.546 3.546 weight 1.000 ! spec=13C, no=3426, id=3058, vol=3.160000e+03
assign (segid "   B" and resid  140 and name  HA1) (segid "   B" and resid  131 and name  HE2) 3.692 1.704 1.704 weight 1.000 ! spec=13C, no=3427, id=3059, vol=2.850000e+04
assign (segid "   B" and resid  141 and name   HA) (segid "   B" and resid  131 and name  HE2) 3.234 1.307 1.307 weight 1.000 ! spec=13C, no=3428, id=3060, vol=6.310000e+04
assign (segid "   B" and resid  128 and name   HA) (segid "   B" and resid  132 and name   HN) 4.483 2.512 2.512 weight 1.000 ! spec=13C, no=3429, id=3061, vol=8.890000e+03
assign (segid "   B" and resid  130 and name   HA) (segid "   B" and resid  132 and name   HN) 2.666 0.888 0.888 weight 1.000 ! spec=13C, no=3432, id=3064, vol=2.010000e+05
assign (segid "   B" and resid  133 and name   HA) (segid "   B" and resid  132 and name   HN) 3.761 1.768 1.768 weight 1.000 ! spec=13C, no=3437, id=3069, vol=2.550000e+04
assign (segid "   B" and resid  131 and name  HB2) (segid "   B" and resid  132 and name   HA) 3.287 1.351 1.351 weight 1.000 ! spec=13C, no=3439, id=3071, vol=5.720000e+04
assign (segid "   B" and resid  135 and name   HA) (segid "   B" and resid  132 and name   HA) 2.605 0.848 0.848 weight 1.000 ! spec=13C, no=3443, id=3074, vol=2.310000e+05
assign (segid "   B" and resid  135 and name  HB2) (segid "   B" and resid  132 and name   HA) 3.606 1.626 1.626 weight 1.000 ! spec=13C, no=3444, id=3075, vol=3.280000e+04
assign (segid "   B" and resid  128 and name  HE2) (segid "   B" and resid  132 and name  HB2) 3.794 1.799 1.799 weight 1.000 ! spec=13C, no=3446, id=3077, vol=2.420000e+04
assign (segid "   B" and resid  131 and name   HA) (segid "   B" and resid  132 and name  HB2) 3.840 1.843 1.843 weight 1.000 ! spec=13C, no=3448, id=3079, vol=2.250000e+04
assign (segid "   B" and resid  131 and name  HB2) (segid "   B" and resid  132 and name  HB2) 3.191 1.273 1.273 weight 1.000 ! spec=13C, no=3449, id=3080, vol=6.830000e+04
assign (segid "   B" and resid  132 and name  HB2) (segid "   B" and resid  132 and name   HA) 2.008 0.504 0.504 weight 1.000 ! spec=13C, no=3450, id=3081, vol=1.100000e+06
assign (segid "   B" and resid  129 and name   HA) (segid "   B" and resid  133 and name   HN) 4.213 2.219 2.219 weight 1.000 ! spec=13C, no=3452, id=3082, vol=1.290000e+04
assign (segid "   B" and resid  133 and name HD12) (segid "   B" and resid  133 and name   HN) 4.360 2.376 2.376 weight 1.000 ! spec=13C, no=3459, id=3089, vol=1.050000e+04
assign (segid "   B" and resid  134 and name   HA) (segid "   B" and resid  133 and name   HN) 4.472 2.500 2.500 weight 1.000 ! spec=13C, no=3461, id=3091, vol=9.020000e+03
assign (segid "   B" and resid  133 and name HD12) (segid "   B" and resid  133 and name   HA) 3.527 1.555 1.555 weight 1.000 ! spec=13C, no=3466, id=3095, vol=3.750000e+04
assign (segid "   B" and resid  133 and name  HB2) (segid "   B" and resid  130 and name   HA) 2.752 0.947 0.947 weight 1.000 ! spec=13C, no=3469, id=3098, vol=1.660000e+05
assign (segid "   B" and resid  132 and name   HA) (segid "   B" and resid  133 and name  HB2) 3.812 1.817 1.817 weight 1.000 ! spec=13C, no=3470, id=3099, vol=2.350000e+04
assign (segid "   B" and resid  132 and name  HB2) (segid "   B" and resid  133 and name  HB2) 4.091 2.092 2.092 weight 1.000 ! spec=13C, no=3471, id=3100, vol=1.540000e+04
assign (segid "   B" and resid  133 and name  HB2) (segid "   B" and resid  133 and name   HA) 3.322 1.379 1.379 weight 1.000 ! spec=13C, no=3472, id=3101, vol=5.370000e+04
assign (segid "   B" and resid  133 and name HD12) (segid "   B" and resid  133 and name  HB2) 2.930 1.073 1.073 weight 1.000 ! spec=13C, no=3474, id=3102, vol=1.140000e+05
assign (segid "   B" and resid  133 and name  HB2) (segid "   B" and resid  133 and name   HG) 1.686 0.355 0.355 weight 1.000 ! spec=13C, no=3475, id=3103, vol=3.140000e+06
assign (segid "   B" and resid  133 and name   HG) (segid "   B" and resid  134 and name   HN) 3.878 1.880 1.880 weight 1.000 ! spec=13C, no=3481, id=3109, vol=2.120000e+04
assign (segid "   B" and resid  134 and name  HB2) (segid "   B" and resid  134 and name   HA) 3.427 1.468 1.468 weight 1.000 ! spec=13C, no=3488, id=3115, vol=4.450000e+04
assign (segid "   B" and resid  136 and name  HE2) (segid "   B" and resid  134 and name   HA) 3.407 1.451 1.451 weight 1.000 ! spec=13C, no=3490, id=3117, vol=4.610000e+04
assign (segid "   B" and resid  150 and name   HB) (segid "   B" and resid  134 and name   HA) 3.666 1.680 1.680 weight 1.000 ! spec=13C, no=3491, id=3118, vol=2.970000e+04
assign (segid "   B" and resid  134 and name  HB2) (segid "   B" and resid  131 and name   HA) 3.668 1.682 1.682 weight 1.000 ! spec=13C, no=3492, id=3119, vol=2.960000e+04
assign (segid "   B" and resid  132 and name   HA) (segid "   B" and resid  134 and name  HB2) 3.016 1.137 1.137 weight 1.000 ! spec=13C, no=3494, id=3121, vol=9.590000e+04
assign (segid "   B" and resid  133 and name   HA) (segid "   B" and resid  134 and name  HB2) 3.703 1.714 1.714 weight 1.000 ! spec=13C, no=3495, id=3122, vol=2.800000e+04
assign (segid "   B" and resid  131 and name   HA) (segid "   B" and resid  134 and name  HD1) 3.967 1.968 1.968 weight 1.000 ! spec=13C, no=3502, id=3128, vol=1.850000e+04
assign (segid "   B" and resid  134 and name   HA) (segid "   B" and resid  134 and name  HD1) 3.192 1.274 1.274 weight 1.000 ! spec=13C, no=3504, id=3130, vol=6.820000e+04
assign (segid "   B" and resid  134 and name  HB2) (segid "   B" and resid  134 and name  HD1) 3.960 1.960 1.960 weight 1.000 ! spec=13C, no=3505, id=3131, vol=1.870000e+04
assign (segid "   B" and resid  134 and name  HB2) (segid "   B" and resid  134 and name  HE2) 4.918 3.023 3.023 weight 1.000 ! spec=13C, no=3506, id=3132, vol=5.100000e+03
assign (segid "   B" and resid  150 and name   HB) (segid "   B" and resid  134 and name  HE2) 3.875 1.877 1.877 weight 1.000 ! spec=13C, no=3507, id=3133, vol=2.130000e+04
assign (segid "   B" and resid  133 and name   HA) (segid "   B" and resid  135 and name   HN) 3.761 1.768 1.768 weight 1.000 ! spec=13C, no=3510, id=3136, vol=2.550000e+04
assign (segid "   B" and resid  134 and name   HA) (segid "   B" and resid  135 and name   HN) 3.642 1.658 1.658 weight 1.000 ! spec=13C, no=3511, id=3137, vol=3.090000e+04
assign (segid "   B" and resid  135 and name   HA) (segid "   B" and resid  134 and name   HA) 3.140 1.232 1.232 weight 1.000 ! spec=13C, no=3515, id=3141, vol=7.530000e+04
assign (segid "   B" and resid  135 and name   HA) (segid "   B" and resid  134 and name  HB2) 5.527 3.819 3.819 weight 1.000 ! spec=13C, no=3516, id=3142, vol=2.530000e+03
assign (segid "   B" and resid  135 and name  HB2) (segid "   B" and resid  135 and name   HA) 3.379 1.427 1.427 weight 1.000 ! spec=13C, no=3518, id=3143, vol=4.850000e+04
assign (segid "   B" and resid  136 and name   HA) (segid "   B" and resid  135 and name   HA) 2.640 0.871 0.871 weight 1.000 ! spec=13C, no=3519, id=3144, vol=2.130000e+05
assign (segid "   B" and resid  136 and name  HG2) (segid "   B" and resid  135 and name   HA) 3.022 1.141 1.141 weight 1.000 ! spec=13C, no=3521, id=3146, vol=9.480000e+04
assign (segid "   B" and resid  146 and name   HA) (segid "   B" and resid  135 and name   HA) 3.768 1.775 1.775 weight 1.000 ! spec=13C, no=3524, id=3149, vol=2.520000e+04
assign (segid "   B" and resid  146 and name  HB2) (segid "   B" and resid  135 and name   HA) 3.368 1.418 1.418 weight 1.000 ! spec=13C, no=3525, id=3150, vol=4.940000e+04
assign (segid "   B" and resid  141 and name   HA) (segid "   B" and resid  135 and name  HB2) 3.458 1.495 1.495 weight 1.000 ! spec=13C, no=3530, id=3154, vol=4.220000e+04
assign (segid "   B" and resid  142 and name   HB) (segid "   B" and resid  135 and name  HB2) 5.052 3.190 3.190 weight 1.000 ! spec=13C, no=3532, id=3156, vol=4.340000e+03
assign (segid "   B" and resid  137 and name  HB2) (segid "   B" and resid  136 and name   HN) 2.569 0.825 0.825 weight 1.000 ! spec=13C, no=3540, id=3164, vol=2.510000e+05
assign (segid "   B" and resid  136 and name  HD2) (segid "   B" and resid  136 and name   HA) 2.739 0.938 0.938 weight 1.000 ! spec=13C, no=3547, id=3170, vol=1.710000e+05
assign (segid "   B" and resid  137 and name   HA) (segid "   B" and resid  136 and name   HA) 3.088 1.192 1.192 weight 1.000 ! spec=13C, no=3550, id=3173, vol=8.320000e+04
assign (segid "   B" and resid  136 and name  HB2) (segid "   B" and resid  135 and name   HA) 3.224 1.300 1.300 weight 1.000 ! spec=13C, no=3551, id=3174, vol=6.420000e+04
assign (segid "   B" and resid  136 and name  HB2) (segid "   B" and resid  136 and name   HA) 3.307 1.367 1.367 weight 1.000 ! spec=13C, no=3552, id=3175, vol=5.520000e+04
assign (segid "   B" and resid  136 and name  HE2) (segid "   B" and resid  136 and name  HB2) 3.236 1.309 1.309 weight 1.000 ! spec=13C, no=3555, id=3177, vol=6.280000e+04
assign (segid "   B" and resid  136 and name  HG2) (segid "   B" and resid  136 and name  HB2) 2.234 0.624 0.624 weight 1.000 ! spec=13C, no=3556, id=3178, vol=5.800000e+05
assign (segid "   B" and resid  137 and name   HA) (segid "   B" and resid  136 and name  HB2) 2.557 0.817 0.817 weight 1.000 ! spec=13C, no=3557, id=3179, vol=2.580000e+05
assign (segid "   B" and resid  146 and name  HB2) (segid "   B" and resid  136 and name  HB2) 4.288 2.299 2.299 weight 1.000 ! spec=13C, no=3560, id=3182, vol=1.160000e+04
assign (segid "   B" and resid  136 and name  HD2) (segid "   B" and resid  136 and name  HB2) 3.107 1.207 1.207 weight 1.000 ! spec=13C, no=3563, id=3185, vol=8.020000e+04
assign (segid "   B" and resid  136 and name  HE2) (segid "   B" and resid  136 and name  HD2) 2.835 1.005 1.005 weight 1.000 ! spec=13C, no=3565, id=3186, vol=1.390000e+05
assign (segid "   B" and resid  133 and name HD12) (segid "   B" and resid  136 and name  HE2) 3.766 1.773 1.773 weight 1.000 ! spec=13C, no=3568, id=3189, vol=2.530000e+04
assign (segid "   B" and resid  136 and name  HE2) (segid "   B" and resid  136 and name   HA) 3.241 1.313 1.313 weight 1.000 ! spec=13C, no=3570, id=3191, vol=6.230000e+04
assign (segid "   B" and resid  136 and name  HG2) (segid "   B" and resid  136 and name  HE2) 3.101 1.202 1.202 weight 1.000 ! spec=13C, no=3574, id=3194, vol=8.110000e+04
assign (segid "   B" and resid  150 and name   HB) (segid "   B" and resid  136 and name  HE2) 3.881 1.883 1.883 weight 1.000 ! spec=13C, no=3576, id=3196, vol=2.110000e+04
assign (segid "   B" and resid  134 and name   HA) (segid "   B" and resid  136 and name  HG2) 3.739 1.748 1.748 weight 1.000 ! spec=13C, no=3577, id=3197, vol=2.640000e+04
assign (segid "   B" and resid  136 and name  HG2) (segid "   B" and resid  136 and name   HA) 3.019 1.140 1.140 weight 1.000 ! spec=13C, no=3579, id=3199, vol=9.520000e+04
assign (segid "   B" and resid  146 and name  HB2) (segid "   B" and resid  136 and name  HG2) 4.282 2.292 2.292 weight 1.000 ! spec=13C, no=3585, id=3204, vol=1.170000e+04
assign (segid "   B" and resid  149 and name   HB) (segid "   B" and resid  136 and name  HG2) 2.980 1.110 1.110 weight 1.000 ! spec=13C, no=3587, id=3206, vol=1.030000e+05
assign (segid "   B" and resid  136 and name  HG2) (segid "   B" and resid  137 and name   HN) 3.046 1.160 1.160 weight 1.000 ! spec=13C, no=3592, id=3211, vol=9.030000e+04
assign (segid "   B" and resid  138 and name  HA1) (segid "   B" and resid  137 and name   HN) 3.673 1.686 1.686 weight 1.000 ! spec=13C, no=3595, id=3214, vol=2.940000e+04
assign (segid "   B" and resid  137 and name  HB2) (segid "   B" and resid  137 and name   HA) 2.097 0.550 0.550 weight 1.000 ! spec=13C, no=3601, id=3219, vol=8.480000e+05
assign (segid "   B" and resid  136 and name  HB2) (segid "   B" and resid  138 and name   HN) 3.469 1.504 1.504 weight 1.000 ! spec=13C, no=3608, id=3225, vol=4.140000e+04
assign (segid "   B" and resid  138 and name  HA1) (segid "   B" and resid  138 and name   HN) 3.709 1.720 1.720 weight 1.000 ! spec=13C, no=3611, id=3228, vol=2.770000e+04
assign (segid "   B" and resid  139 and name   HA) (segid "   B" and resid  138 and name   HN) 4.056 2.057 2.057 weight 1.000 ! spec=13C, no=3612, id=3229, vol=1.620000e+04
assign (segid "   B" and resid  137 and name  HB2) (segid "   B" and resid  139 and name   HN) 2.225 0.619 0.619 weight 1.000 ! spec=13C, no=3615, id=3232, vol=5.950000e+05
assign (segid "   B" and resid  138 and name  HA1) (segid "   B" and resid  139 and name   HN) 3.153 1.243 1.243 weight 1.000 ! spec=13C, no=3616, id=3233, vol=7.340000e+04
assign (segid "   B" and resid  140 and name  HA1) (segid "   B" and resid  139 and name   HN) 3.884 1.886 1.886 weight 1.000 ! spec=13C, no=3619, id=3236, vol=2.100000e+04
assign (segid "   B" and resid  139 and name   HA) (segid "   B" and resid  140 and name  HA1) 4.579 2.621 2.621 weight 1.000 ! spec=13C, no=3623, id=3239, vol=7.830000e+03
assign (segid "   B" and resid  139 and name  HB2) (segid "   B" and resid  139 and name   HA) 3.016 1.137 1.137 weight 1.000 ! spec=13C, no=3624, id=3240, vol=9.580000e+04
assign (segid "   B" and resid  135 and name  HB2) (segid "   B" and resid  140 and name   HN) 3.794 1.799 1.799 weight 1.000 ! spec=13C, no=3626, id=3241, vol=2.420000e+04
assign (segid "   B" and resid  138 and name  HA1) (segid "   B" and resid  140 and name   HN) 3.468 1.503 1.503 weight 1.000 ! spec=13C, no=3627, id=3242, vol=4.150000e+04
assign (segid "   B" and resid  139 and name   HA) (segid "   B" and resid  140 and name   HN) 2.527 0.798 0.798 weight 1.000 ! spec=13C, no=3628, id=3243, vol=2.770000e+05
assign (segid "   B" and resid  139 and name  HB2) (segid "   B" and resid  140 and name   HN) 3.612 1.631 1.631 weight 1.000 ! spec=13C, no=3629, id=3244, vol=3.250000e+04
assign (segid "   B" and resid  140 and name  HA1) (segid "   B" and resid  140 and name   HN) 5.076 3.220 3.220 weight 1.000 ! spec=13C, no=3630, id=3245, vol=4.220000e+03
assign (segid "   B" and resid  141 and name   HA) (segid "   B" and resid  140 and name   HN) 3.257 1.326 1.326 weight 1.000 ! spec=13C, no=3631, id=3246, vol=6.040000e+04
assign (segid "   B" and resid  135 and name  HB2) (segid "   B" and resid  141 and name   HN) 3.076 1.183 1.183 weight 1.000 ! spec=13C, no=3632, id=3247, vol=8.510000e+04
assign (segid "   B" and resid  141 and name   HB) (segid "   B" and resid  141 and name   HA) 2.885 1.041 1.041 weight 1.000 ! spec=13C, no=3640, id=3254, vol=1.250000e+05
assign (segid "   B" and resid  142 and name   HA) (segid "   B" and resid  141 and name   HA) 3.019 1.140 1.140 weight 1.000 ! spec=13C, no=3641, id=3255, vol=9.520000e+04
assign (segid "   B" and resid  179 and name   HA) (segid "   B" and resid  141 and name   HA) 3.043 1.158 1.158 weight 1.000 ! spec=13C, no=3643, id=3257, vol=9.080000e+04
assign (segid "   B" and resid  140 and name  HA1) (segid "   B" and resid  141 and name   HB) 4.360 2.376 2.376 weight 1.000 ! spec=13C, no=3644, id=3258, vol=1.050000e+04
assign (segid "   B" and resid  179 and name   HA) (segid "   B" and resid  141 and name   HB) 3.285 1.349 1.349 weight 1.000 ! spec=13C, no=3648, id=3261, vol=5.740000e+04
assign (segid "   B" and resid  177 and name   HA) (segid "   B" and resid  142 and name   HN) 2.622 0.859 0.859 weight 1.000 ! spec=13C, no=3653, id=3266, vol=2.220000e+05
assign (segid "   B" and resid  142 and name   HA) (segid "   B" and resid  135 and name   HA) 2.227 0.620 0.620 weight 1.000 ! spec=13C, no=3658, id=3271, vol=5.920000e+05
assign (segid "   B" and resid  142 and name   HA) (segid "   B" and resid  135 and name  HB2) 2.655 0.881 0.881 weight 1.000 ! spec=13C, no=3659, id=3272, vol=2.060000e+05
assign (segid "   B" and resid  142 and name   HB) (segid "   B" and resid  142 and name   HA) 2.340 0.685 0.685 weight 1.000 ! spec=13C, no=3662, id=3274, vol=4.390000e+05
assign (segid "   B" and resid  143 and name   HB) (segid "   B" and resid  142 and name   HA) 4.989 3.111 3.111 weight 1.000 ! spec=13C, no=3664, id=3276, vol=4.680000e+03
assign (segid "   B" and resid  146 and name  HB2) (segid "   B" and resid  142 and name   HA) 2.755 0.949 0.949 weight 1.000 ! spec=13C, no=3665, id=3277, vol=1.650000e+05
assign (segid "   B" and resid  146 and name  HG2) (segid "   B" and resid  142 and name   HA) 5.596 3.914 3.914 weight 1.000 ! spec=13C, no=3666, id=3278, vol=2.350000e+03
assign (segid "   B" and resid  142 and name   HB) (segid "   B" and resid  141 and name   HA) 3.057 1.168 1.168 weight 1.000 ! spec=13C, no=3667, id=3279, vol=8.840000e+04
assign (segid "   B" and resid  178 and name   HA) (segid "   B" and resid  142 and name   HB) 2.659 0.884 0.884 weight 1.000 ! spec=13C, no=3670, id=3281, vol=2.040000e+05
assign (segid "   B" and resid  143 and name   HA) (segid "   B" and resid  143 and name   HN) 2.506 0.785 0.785 weight 1.000 ! spec=13C, no=3674, id=3285, vol=2.910000e+05
assign (segid "   B" and resid  143 and name   HB) (segid "   B" and resid  143 and name   HN) 2.142 0.573 0.573 weight 1.000 ! spec=13C, no=3675, id=3286, vol=7.480000e+05
assign (segid "   B" and resid  143 and name   HA) (segid "   B" and resid  142 and name   HA) 2.897 1.049 1.049 weight 1.000 ! spec=13C, no=3679, id=3290, vol=1.220000e+05
assign (segid "   B" and resid  143 and name   HB) (segid "   B" and resid  143 and name   HA) 2.175 0.591 0.591 weight 1.000 ! spec=13C, no=3682, id=3292, vol=6.810000e+05
assign (segid "   B" and resid  144 and name   HA) (segid "   B" and resid  143 and name   HA) 4.109 2.110 2.110 weight 1.000 ! spec=13C, no=3683, id=3293, vol=1.500000e+04
assign (segid "   B" and resid  177 and name   HA) (segid "   B" and resid  143 and name   HA) 1.979 0.490 0.490 weight 1.000 ! spec=13C, no=3685, id=3295, vol=1.200000e+06
assign (segid "   B" and resid  144 and name   HB) (segid "   B" and resid  143 and name   HB) 6.360 5.056 5.056 weight 1.000 ! spec=13C, no=3690, id=3299, vol=1.090000e+03
assign (segid "   B" and resid  143 and name  HG1) (segid "   B" and resid  143 and name   HA) 2.407 0.724 0.724 weight 1.000 ! spec=13C, no=3692, id=3301, vol=3.710000e+05
assign (segid "   B" and resid  143 and name   HB) (segid "   B" and resid  143 and name  HG1) 2.634 0.867 0.867 weight 1.000 ! spec=13C, no=3693, id=3302, vol=2.160000e+05
assign (segid "   B" and resid  143 and name  HG1) (segid "   B" and resid  146 and name  HB2) 3.531 1.559 1.559 weight 1.000 ! spec=13C, no=3694, id=3303, vol=3.720000e+04
assign (segid "   B" and resid  146 and name  HG2) (segid "   B" and resid  143 and name  HG1) 3.786 1.792 1.792 weight 1.000 ! spec=13C, no=3695, id=3304, vol=2.450000e+04
assign (segid "   B" and resid  143 and name   HB) (segid "   B" and resid  144 and name   HN) 2.457 0.755 0.755 weight 1.000 ! spec=13C, no=3697, id=3306, vol=3.280000e+05
assign (segid "   B" and resid  144 and name   HB) (segid "   B" and resid  144 and name   HA) 3.065 1.174 1.174 weight 1.000 ! spec=13C, no=3702, id=3310, vol=8.700000e+04
assign (segid "   B" and resid  145 and name   HA) (segid "   B" and resid  144 and name   HA) 3.232 1.306 1.306 weight 1.000 ! spec=13C, no=3703, id=3311, vol=6.330000e+04
assign (segid "   B" and resid  147 and name  HB2) (segid "   B" and resid  144 and name   HA) 3.687 1.700 1.700 weight 1.000 ! spec=13C, no=3704, id=3312, vol=2.870000e+04
assign (segid "   B" and resid  163 and name HD12) (segid "   B" and resid  144 and name   HA) 2.790 0.973 0.973 weight 1.000 ! spec=13C, no=3705, id=3313, vol=1.530000e+05
assign (segid "   B" and resid  144 and name   HB) (segid "   B" and resid  145 and name  HB2) 3.025 1.144 1.144 weight 1.000 ! spec=13C, no=3711, id=3318, vol=9.420000e+04
assign (segid "   B" and resid  145 and name  HD2) (segid "   B" and resid  144 and name   HB) 2.337 0.683 0.683 weight 1.000 ! spec=13C, no=3712, id=3319, vol=4.430000e+05
assign (segid "   B" and resid  145 and name  HG2) (segid "   B" and resid  144 and name   HB) 2.809 0.986 0.986 weight 1.000 ! spec=13C, no=3713, id=3320, vol=1.470000e+05
assign (segid "   B" and resid  143 and name   HA) (segid "   B" and resid  145 and name   HN) 2.852 1.017 1.017 weight 1.000 ! spec=13C, no=3714, id=3321, vol=1.340000e+05
assign (segid "   B" and resid  146 and name   HA) (segid "   B" and resid  145 and name   HN) 3.480 1.514 1.514 weight 1.000 ! spec=13C, no=3722, id=3329, vol=4.060000e+04
assign (segid "   B" and resid  146 and name  HG2) (segid "   B" and resid  145 and name   HN) 4.441 2.465 2.465 weight 1.000 ! spec=13C, no=3724, id=3331, vol=9.410000e+03
assign (segid "   B" and resid  145 and name   HA) (segid "   B" and resid  144 and name   HB) 3.852 1.854 1.854 weight 1.000 ! spec=13C, no=3726, id=3333, vol=2.210000e+04
assign (segid "   B" and resid  145 and name  HD2) (segid "   B" and resid  145 and name   HA) 2.559 0.818 0.818 weight 1.000 ! spec=13C, no=3729, id=3335, vol=2.570000e+05
assign (segid "   B" and resid  146 and name   HA) (segid "   B" and resid  145 and name   HA) 3.253 1.323 1.323 weight 1.000 ! spec=13C, no=3732, id=3338, vol=6.090000e+04
assign (segid "   B" and resid  145 and name  HB2) (segid "   B" and resid  145 and name   HA) 2.922 1.067 1.067 weight 1.000 ! spec=13C, no=3733, id=3339, vol=1.160000e+05
assign (segid "   B" and resid  145 and name  HD2) (segid "   B" and resid  145 and name  HB2) 1.703 0.362 0.362 weight 1.000 ! spec=13C, no=3735, id=3340, vol=2.960000e+06
assign (segid "   B" and resid  145 and name  HE2) (segid "   B" and resid  145 and name  HB2) 3.002 1.126 1.126 weight 1.000 ! spec=13C, no=3736, id=3341, vol=9.860000e+04
assign (segid "   B" and resid  145 and name  HG2) (segid "   B" and resid  145 and name  HB2) 2.202 0.606 0.606 weight 1.000 ! spec=13C, no=3737, id=3342, vol=6.330000e+05
assign (segid "   B" and resid  146 and name  HG2) (segid "   B" and resid  145 and name  HB2) 3.783 1.789 1.789 weight 1.000 ! spec=13C, no=3739, id=3344, vol=2.460000e+04
assign (segid "   B" and resid  145 and name  HE2) (segid "   B" and resid  145 and name   HA) 2.741 0.939 0.939 weight 1.000 ! spec=13C, no=3745, id=3349, vol=1.700000e+05
assign (segid "   B" and resid  145 and name  HE2) (segid "   B" and resid  145 and name  HD2) 1.574 0.310 0.310 weight 1.000 ! spec=13C, no=3747, id=3351, vol=4.750000e+06
assign (segid "   B" and resid  144 and name   HA) (segid "   B" and resid  145 and name  HG2) 3.636 1.653 1.653 weight 1.000 ! spec=13C, no=3750, id=3353, vol=3.120000e+04
assign (segid "   B" and resid  145 and name  HG2) (segid "   B" and resid  145 and name   HA) 3.654 1.669 1.669 weight 1.000 ! spec=13C, no=3752, id=3355, vol=3.030000e+04
assign (segid "   B" and resid  145 and name  HG2) (segid "   B" and resid  145 and name  HD2) 1.696 0.360 0.360 weight 1.000 ! spec=13C, no=3754, id=3357, vol=3.030000e+06
assign (segid "   B" and resid  145 and name  HG2) (segid "   B" and resid  145 and name  HE2) 2.653 0.880 0.880 weight 1.000 ! spec=13C, no=3755, id=3358, vol=2.070000e+05
assign (segid "   B" and resid  144 and name   HA) (segid "   B" and resid  146 and name   HN) 3.309 1.368 1.368 weight 1.000 ! spec=13C, no=3759, id=3361, vol=5.500000e+04
assign (segid "   B" and resid  145 and name  HB2) (segid "   B" and resid  146 and name   HN) 3.171 1.257 1.257 weight 1.000 ! spec=13C, no=3761, id=3363, vol=7.100000e+04
assign (segid "   B" and resid  145 and name  HG2) (segid "   B" and resid  146 and name   HN) 3.229 1.303 1.303 weight 1.000 ! spec=13C, no=3762, id=3364, vol=6.370000e+04
assign (segid "   B" and resid  146 and name  HG2) (segid "   B" and resid  146 and name   HN) 5.346 3.573 3.573 weight 1.000 ! spec=13C, no=3765, id=3367, vol=3.090000e+03
assign (segid "   B" and resid  147 and name   HA) (segid "   B" and resid  146 and name   HN) 3.718 1.728 1.728 weight 1.000 ! spec=13C, no=3766, id=3368, vol=2.730000e+04
assign (segid "   B" and resid  146 and name   HA) (segid "   B" and resid  136 and name  HB2) 3.089 1.193 1.193 weight 1.000 ! spec=13C, no=3768, id=3370, vol=8.300000e+04
assign (segid "   B" and resid  136 and name  HD2) (segid "   B" and resid  146 and name   HA) 2.429 0.738 0.738 weight 1.000 ! spec=13C, no=3769, id=3371, vol=3.510000e+05
assign (segid "   B" and resid  146 and name   HA) (segid "   B" and resid  136 and name  HG2) 3.437 1.476 1.476 weight 1.000 ! spec=13C, no=3770, id=3372, vol=4.380000e+04
assign (segid "   B" and resid  146 and name   HA) (segid "   B" and resid  145 and name  HB2) 4.326 2.340 2.340 weight 1.000 ! spec=13C, no=3772, id=3374, vol=1.100000e+04
assign (segid "   B" and resid  147 and name   HA) (segid "   B" and resid  146 and name   HA) 2.957 1.093 1.093 weight 1.000 ! spec=13C, no=3776, id=3377, vol=1.080000e+05
assign (segid "   B" and resid  149 and name   HA) (segid "   B" and resid  146 and name   HA) 3.646 1.662 1.662 weight 1.000 ! spec=13C, no=3777, id=3378, vol=3.070000e+04
assign (segid "   B" and resid  149 and name   HB) (segid "   B" and resid  146 and name   HA) 3.262 1.330 1.330 weight 1.000 ! spec=13C, no=3778, id=3379, vol=5.990000e+04
assign (segid "   B" and resid  142 and name   HB) (segid "   B" and resid  146 and name  HB2) 5.052 3.190 3.190 weight 1.000 ! spec=13C, no=3781, id=3382, vol=4.340000e+03
assign (segid "   B" and resid  143 and name   HA) (segid "   B" and resid  146 and name  HB2) 2.472 0.764 0.764 weight 1.000 ! spec=13C, no=3782, id=3383, vol=3.160000e+05
assign (segid "   B" and resid  143 and name   HB) (segid "   B" and resid  146 and name  HB2) 2.373 0.704 0.704 weight 1.000 ! spec=13C, no=3783, id=3384, vol=4.040000e+05
assign (segid "   B" and resid  146 and name  HB2) (segid "   B" and resid  146 and name   HA) 3.191 1.273 1.273 weight 1.000 ! spec=13C, no=3784, id=3385, vol=6.830000e+04
assign (segid "   B" and resid  147 and name   HA) (segid "   B" and resid  146 and name  HB2) 3.652 1.667 1.667 weight 1.000 ! spec=13C, no=3787, id=3387, vol=3.040000e+04
assign (segid "   B" and resid  136 and name   HA) (segid "   B" and resid  146 and name  HG2) 3.336 1.391 1.391 weight 1.000 ! spec=13C, no=3789, id=3389, vol=5.230000e+04
assign (segid "   B" and resid  146 and name  HG2) (segid "   B" and resid  136 and name  HB2) 3.535 1.562 1.562 weight 1.000 ! spec=13C, no=3790, id=3390, vol=3.700000e+04
assign (segid "   B" and resid  146 and name  HG2) (segid "   B" and resid  136 and name  HG2) 3.636 1.653 1.653 weight 1.000 ! spec=13C, no=3791, id=3391, vol=3.120000e+04
assign (segid "   B" and resid  137 and name   HA) (segid "   B" and resid  146 and name  HG2) 2.882 1.038 1.038 weight 1.000 ! spec=13C, no=3792, id=3392, vol=1.260000e+05
assign (segid "   B" and resid  137 and name  HB2) (segid "   B" and resid  146 and name  HG2) 2.985 1.114 1.114 weight 1.000 ! spec=13C, no=3793, id=3393, vol=1.020000e+05
assign (segid "   B" and resid  145 and name   HA) (segid "   B" and resid  146 and name  HG2) 3.426 1.467 1.467 weight 1.000 ! spec=13C, no=3794, id=3394, vol=4.460000e+04
assign (segid "   B" and resid  146 and name  HG2) (segid "   B" and resid  146 and name   HA) 3.482 1.515 1.515 weight 1.000 ! spec=13C, no=3795, id=3395, vol=4.050000e+04
assign (segid "   B" and resid  146 and name  HG2) (segid "   B" and resid  146 and name  HB2) 2.686 0.902 0.902 weight 1.000 ! spec=13C, no=3796, id=3396, vol=1.920000e+05
assign (segid "   B" and resid  143 and name   HA) (segid "   B" and resid  147 and name   HN) 2.893 1.046 1.046 weight 1.000 ! spec=13C, no=3798, id=3397, vol=1.230000e+05
assign (segid "   B" and resid  144 and name   HA) (segid "   B" and resid  147 and name   HN) 2.870 1.030 1.030 weight 1.000 ! spec=13C, no=3799, id=3398, vol=1.290000e+05
assign (segid "   B" and resid  146 and name  HG2) (segid "   B" and resid  147 and name   HN) 3.707 1.718 1.718 weight 1.000 ! spec=13C, no=3803, id=3402, vol=2.780000e+04
assign (segid "   B" and resid  147 and name HD12) (segid "   B" and resid  147 and name   HN) 4.219 2.225 2.225 weight 1.000 ! spec=13C, no=3807, id=3406, vol=1.280000e+04
assign (segid "   B" and resid  150 and name   HA) (segid "   B" and resid  147 and name   HA) 3.108 1.207 1.207 weight 1.000 ! spec=13C, no=3814, id=3412, vol=8.010000e+04
assign (segid "   B" and resid  150 and name   HB) (segid "   B" and resid  147 and name   HA) 2.653 0.880 0.880 weight 1.000 ! spec=13C, no=3815, id=3413, vol=2.070000e+05
assign (segid "   B" and resid  146 and name   HA) (segid "   B" and resid  147 and name  HB2) 3.608 1.627 1.627 weight 1.000 ! spec=13C, no=3818, id=3416, vol=3.270000e+04
assign (segid "   B" and resid  147 and name  HB2) (segid "   B" and resid  146 and name  HB2) 3.894 1.895 1.895 weight 1.000 ! spec=13C, no=3819, id=3417, vol=2.070000e+04
assign (segid "   B" and resid  147 and name  HB2) (segid "   B" and resid  147 and name   HA) 3.549 1.575 1.575 weight 1.000 ! spec=13C, no=3820, id=3418, vol=3.610000e+04
assign (segid "   B" and resid  147 and name HD12) (segid "   B" and resid  147 and name  HB2) 2.539 0.806 0.806 weight 1.000 ! spec=13C, no=3823, id=3420, vol=2.690000e+05
assign (segid "   B" and resid  144 and name   HA) (segid "   B" and resid  148 and name   HN) 2.815 0.991 0.991 weight 1.000 ! spec=13C, no=3824, id=3421, vol=1.450000e+05
assign (segid "   B" and resid  146 and name   HA) (segid "   B" and resid  148 and name   HN) 4.541 2.577 2.577 weight 1.000 ! spec=13C, no=3826, id=3423, vol=8.230000e+03
assign (segid "   B" and resid  149 and name   HA) (segid "   B" and resid  148 and name   HN) 3.492 1.524 1.524 weight 1.000 ! spec=13C, no=3829, id=3426, vol=3.980000e+04
assign (segid "   B" and resid  163 and name HD12) (segid "   B" and resid  148 and name   HN) 2.657 0.883 0.883 weight 1.000 ! spec=13C, no=3830, id=3427, vol=2.050000e+05
assign (segid "   B" and resid  146 and name   HA) (segid "   B" and resid  149 and name   HN) 4.346 2.361 2.361 weight 1.000 ! spec=13C, no=3832, id=3429, vol=1.070000e+04
assign (segid "   B" and resid  146 and name  HB2) (segid "   B" and resid  149 and name   HN) 7.307 6.674 6.674 weight 1.000 ! spec=13C, no=3833, id=3430, vol=4.740000e+02
assign (segid "   B" and resid  147 and name   HA) (segid "   B" and resid  149 and name   HN) 3.730 1.739 1.739 weight 1.000 ! spec=13C, no=3834, id=3431, vol=2.680000e+04
assign (segid "   B" and resid  150 and name   HA) (segid "   B" and resid  149 and name   HN) 3.450 1.488 1.488 weight 1.000 ! spec=13C, no=3837, id=3434, vol=4.280000e+04
assign (segid "   B" and resid  149 and name   HB) (segid "   B" and resid  149 and name   HA) 3.383 1.431 1.431 weight 1.000 ! spec=13C, no=3839, id=3435, vol=4.810000e+04
assign (segid "   B" and resid  150 and name   HA) (segid "   B" and resid  149 and name   HA) 3.006 1.129 1.129 weight 1.000 ! spec=13C, no=3840, id=3436, vol=9.780000e+04
assign (segid "   B" and resid  152 and name  HB2) (segid "   B" and resid  149 and name   HA) 5.183 3.358 3.358 weight 1.000 ! spec=13C, no=3842, id=3438, vol=3.720000e+03
assign (segid "   B" and resid  152 and name  HD2) (segid "   B" and resid  149 and name   HA) 2.784 0.969 0.969 weight 1.000 ! spec=13C, no=3843, id=3439, vol=1.550000e+05
assign (segid "   B" and resid  152 and name  HG2) (segid "   B" and resid  149 and name   HA) 3.263 1.331 1.331 weight 1.000 ! spec=13C, no=3844, id=3440, vol=5.980000e+04
assign (segid "   B" and resid  136 and name  HB2) (segid "   B" and resid  149 and name   HB) 3.694 1.706 1.706 weight 1.000 ! spec=13C, no=3845, id=3441, vol=2.840000e+04
assign (segid "   B" and resid  149 and name   HB) (segid "   B" and resid  136 and name  HD2) 2.056 0.528 0.528 weight 1.000 ! spec=13C, no=3846, id=3442, vol=9.550000e+05
assign (segid "   B" and resid  136 and name  HE2) (segid "   B" and resid  149 and name   HB) 2.293 0.657 0.657 weight 1.000 ! spec=13C, no=3847, id=3443, vol=4.960000e+05
assign (segid "   B" and resid  146 and name  HB2) (segid "   B" and resid  149 and name   HB) 3.786 1.792 1.792 weight 1.000 ! spec=13C, no=3850, id=3446, vol=2.450000e+04
assign (segid "   B" and resid  150 and name   HA) (segid "   B" and resid  149 and name   HB) 3.746 1.754 1.754 weight 1.000 ! spec=13C, no=3853, id=3448, vol=2.610000e+04
assign (segid "   B" and resid  151 and name   HA) (segid "   B" and resid  150 and name   HN) 3.489 1.522 1.522 weight 1.000 ! spec=13C, no=3861, id=3456, vol=4.000000e+04
assign (segid "   B" and resid  150 and name   HA) (segid "   B" and resid  136 and name  HE2) 2.882 1.038 1.038 weight 1.000 ! spec=13C, no=3862, id=3457, vol=1.260000e+05
assign (segid "   B" and resid  151 and name   HA) (segid "   B" and resid  150 and name   HA) 2.778 0.965 0.965 weight 1.000 ! spec=13C, no=3867, id=3461, vol=1.570000e+05
assign (segid "   B" and resid  153 and name   HA) (segid "   B" and resid  150 and name   HA) 2.805 0.984 0.984 weight 1.000 ! spec=13C, no=3868, id=3462, vol=1.480000e+05
assign (segid "   B" and resid  147 and name  HB2) (segid "   B" and resid  150 and name   HB) 4.213 2.219 2.219 weight 1.000 ! spec=13C, no=3871, id=3465, vol=1.290000e+04
assign (segid "   B" and resid  150 and name   HB) (segid "   B" and resid  150 and name   HA) 3.967 1.968 1.968 weight 1.000 ! spec=13C, no=3873, id=3467, vol=1.850000e+04
assign (segid "   B" and resid  147 and name   HA) (segid "   B" and resid  151 and name   HN) 3.190 1.272 1.272 weight 1.000 ! spec=13C, no=3877, id=3470, vol=6.850000e+04
assign (segid "   B" and resid  149 and name   HA) (segid "   B" and resid  151 and name   HN) 3.703 1.714 1.714 weight 1.000 ! spec=13C, no=3878, id=3471, vol=2.800000e+04
assign (segid "   B" and resid  151 and name  HE2) (segid "   B" and resid  151 and name   HN) 4.636 2.686 2.686 weight 1.000 ! spec=13C, no=3883, id=3476, vol=7.270000e+03
assign (segid "   B" and resid  152 and name   HA) (segid "   B" and resid  151 and name   HN) 3.543 1.569 1.569 weight 1.000 ! spec=13C, no=3885, id=3478, vol=3.650000e+04
assign (segid "   B" and resid  151 and name   HA) (segid "   B" and resid  150 and name   HB) 3.812 1.817 1.817 weight 1.000 ! spec=13C, no=3887, id=3480, vol=2.350000e+04
assign (segid "   B" and resid  151 and name  HB2) (segid "   B" and resid  151 and name   HA) 3.549 1.575 1.575 weight 1.000 ! spec=13C, no=3889, id=3481, vol=3.610000e+04
assign (segid "   B" and resid  154 and name  HB2) (segid "   B" and resid  151 and name   HA) 4.060 2.061 2.061 weight 1.000 ! spec=13C, no=3894, id=3486, vol=1.610000e+04
assign (segid "   B" and resid  154 and name HD12) (segid "   B" and resid  151 and name   HA) 6.294 4.953 4.953 weight 1.000 ! spec=13C, no=3895, id=3487, vol=1.160000e+03
assign (segid "   B" and resid  154 and name   HG) (segid "   B" and resid  151 and name   HA) 3.278 1.343 1.343 weight 1.000 ! spec=13C, no=3896, id=3488, vol=5.820000e+04
assign (segid "   B" and resid  150 and name   HA) (segid "   B" and resid  151 and name  HB2) 3.967 1.968 1.968 weight 1.000 ! spec=13C, no=3898, id=3490, vol=1.850000e+04
assign (segid "   B" and resid  152 and name   HA) (segid "   B" and resid  151 and name  HB2) 2.566 0.823 0.823 weight 1.000 ! spec=13C, no=3903, id=3494, vol=2.530000e+05
assign (segid "   B" and resid  147 and name   HA) (segid "   B" and resid  151 and name  HG2) 3.916 1.917 1.917 weight 1.000 ! spec=13C, no=3908, id=3499, vol=2.000000e+04
assign (segid "   B" and resid  150 and name   HA) (segid "   B" and resid  151 and name  HG2) 3.485 1.518 1.518 weight 1.000 ! spec=13C, no=3909, id=3500, vol=4.030000e+04
assign (segid "   B" and resid  151 and name  HG2) (segid "   B" and resid  150 and name   HB) 3.758 1.766 1.766 weight 1.000 ! spec=13C, no=3910, id=3501, vol=2.560000e+04
assign (segid "   B" and resid  151 and name  HG2) (segid "   B" and resid  151 and name   HA) 3.766 1.773 1.773 weight 1.000 ! spec=13C, no=3911, id=3502, vol=2.530000e+04
assign (segid "   B" and resid  151 and name  HG2) (segid "   B" and resid  151 and name  HB2) 3.443 1.482 1.482 weight 1.000 ! spec=13C, no=3912, id=3503, vol=4.330000e+04
assign (segid "   B" and resid  151 and name  HE2) (segid "   B" and resid  151 and name  HG2) 3.243 1.315 1.315 weight 1.000 ! spec=13C, no=3913, id=3504, vol=6.200000e+04
assign (segid "   B" and resid  158 and name  HG2) (segid "   B" and resid  151 and name  HG2) 2.957 1.093 1.093 weight 1.000 ! spec=13C, no=3915, id=3505, vol=1.080000e+05
assign (segid "   B" and resid  151 and name  HE2) (segid "   B" and resid  151 and name  HB2) 1.956 0.478 0.478 weight 1.000 ! spec=13C, no=3916, id=3506, vol=1.290000e+06
assign (segid "   B" and resid  158 and name  HG2) (segid "   B" and resid  151 and name  HE2) 1.918 0.460 0.460 weight 1.000 ! spec=13C, no=3919, id=3508, vol=1.450000e+06
assign (segid "   B" and resid  166 and name  HG2) (segid "   B" and resid  151 and name  HE2) 4.095 2.096 2.096 weight 1.000 ! spec=13C, no=3921, id=3510, vol=1.530000e+04
assign (segid "   B" and resid  150 and name   HA) (segid "   B" and resid  152 and name   HN) 3.334 1.390 1.390 weight 1.000 ! spec=13C, no=3923, id=3512, vol=5.250000e+04
assign (segid "   B" and resid  151 and name   HA) (segid "   B" and resid  152 and name   HN) 3.065 1.174 1.174 weight 1.000 ! spec=13C, no=3924, id=3513, vol=8.710000e+04
assign (segid "   B" and resid  151 and name  HB2) (segid "   B" and resid  152 and name   HN) 3.574 1.597 1.597 weight 1.000 ! spec=13C, no=3925, id=3514, vol=3.460000e+04
assign (segid "   B" and resid  152 and name  HG2) (segid "   B" and resid  152 and name   HN) 2.630 0.865 0.865 weight 1.000 ! spec=13C, no=3930, id=3519, vol=2.180000e+05
assign (segid "   B" and resid  153 and name   HA) (segid "   B" and resid  152 and name   HN) 3.197 1.277 1.277 weight 1.000 ! spec=13C, no=3931, id=3520, vol=6.760000e+04
assign (segid "   B" and resid  152 and name  HB2) (segid "   B" and resid  152 and name   HA) 2.096 0.549 0.549 weight 1.000 ! spec=13C, no=3935, id=3523, vol=8.500000e+05
assign (segid "   B" and resid  152 and name  HG2) (segid "   B" and resid  152 and name   HA) 2.149 0.577 0.577 weight 1.000 ! spec=13C, no=3937, id=3525, vol=7.320000e+05
assign (segid "   B" and resid  155 and name  HA1) (segid "   B" and resid  152 and name   HA) 3.354 1.406 1.406 weight 1.000 ! spec=13C, no=3939, id=3527, vol=5.070000e+04
assign (segid "   B" and resid  156 and name   HA) (segid "   B" and resid  152 and name   HA) 2.296 0.659 0.659 weight 1.000 ! spec=13C, no=3940, id=3528, vol=4.920000e+05
assign (segid "   B" and resid  156 and name  HB2) (segid "   B" and resid  152 and name   HA) 1.979 0.490 0.490 weight 1.000 ! spec=13C, no=3941, id=3529, vol=1.200000e+06
assign (segid "   B" and resid  156 and name  HG2) (segid "   B" and resid  152 and name   HA) 2.508 0.786 0.786 weight 1.000 ! spec=13C, no=3942, id=3530, vol=2.900000e+05
assign (segid "   B" and resid  149 and name   HB) (segid "   B" and resid  152 and name  HB2) 2.828 1.000 1.000 weight 1.000 ! spec=13C, no=3944, id=3532, vol=1.410000e+05
assign (segid "   B" and resid  151 and name   HA) (segid "   B" and resid  152 and name  HB2) 5.066 3.208 3.208 weight 1.000 ! spec=13C, no=3945, id=3533, vol=4.270000e+03
assign (segid "   B" and resid  152 and name  HD2) (segid "   B" and resid  152 and name  HB2) 1.781 0.397 0.397 weight 1.000 ! spec=13C, no=3949, id=3536, vol=2.260000e+06
assign (segid "   B" and resid  152 and name  HB2) (segid "   B" and resid  153 and name   HA) 3.588 1.609 1.609 weight 1.000 ! spec=13C, no=3951, id=3538, vol=3.380000e+04
assign (segid "   B" and resid  152 and name  HD2) (segid "   B" and resid  152 and name   HA) 2.684 0.900 0.900 weight 1.000 ! spec=13C, no=3952, id=3539, vol=1.930000e+05
assign (segid "   B" and resid  152 and name  HG2) (segid "   B" and resid  152 and name  HD2) 1.726 0.372 0.372 weight 1.000 ! spec=13C, no=3958, id=3544, vol=2.730000e+06
assign (segid "   B" and resid  156 and name   HA) (segid "   B" and resid  152 and name  HG2) 2.809 0.986 0.986 weight 1.000 ! spec=13C, no=3960, id=3545, vol=1.470000e+05
assign (segid "   B" and resid  152 and name  HB2) (segid "   B" and resid  153 and name   HN) 2.260 0.639 0.639 weight 1.000 ! spec=13C, no=3965, id=3550, vol=5.410000e+05
assign (segid "   B" and resid  153 and name  HB2) (segid "   B" and resid  150 and name   HA) 3.009 1.132 1.132 weight 1.000 ! spec=13C, no=3974, id=3558, vol=9.720000e+04
assign (segid "   B" and resid  150 and name   HB) (segid "   B" and resid  153 and name  HB2) 3.823 1.827 1.827 weight 1.000 ! spec=13C, no=3975, id=3559, vol=2.310000e+04
assign (segid "   B" and resid  153 and name  HB2) (segid "   B" and resid  153 and name   HA) 2.541 0.807 0.807 weight 1.000 ! spec=13C, no=3976, id=3560, vol=2.680000e+05
assign (segid "   B" and resid  154 and name   HA) (segid "   B" and resid  153 and name  HB2) 2.934 1.076 1.076 weight 1.000 ! spec=13C, no=3978, id=3561, vol=1.130000e+05
assign (segid "   B" and resid  151 and name   HA) (segid "   B" and resid  154 and name   HN) 2.703 0.913 0.913 weight 1.000 ! spec=13C, no=3981, id=3564, vol=1.850000e+05
assign (segid "   B" and resid  154 and name   HA) (segid "   B" and resid  154 and name   HN) 2.679 0.897 0.897 weight 1.000 ! spec=13C, no=3985, id=3568, vol=1.950000e+05
assign (segid "   B" and resid  155 and name  HA1) (segid "   B" and resid  154 and name   HN) 4.016 2.016 2.016 weight 1.000 ! spec=13C, no=3990, id=3573, vol=1.720000e+04
assign (segid "   B" and resid  154 and name HD12) (segid "   B" and resid  154 and name   HA) 3.786 1.792 1.792 weight 1.000 ! spec=13C, no=3996, id=3578, vol=2.450000e+04
assign (segid "   B" and resid  153 and name   HA) (segid "   B" and resid  154 and name  HB2) 3.588 1.609 1.609 weight 1.000 ! spec=13C, no=4002, id=3584, vol=3.380000e+04
assign (segid "   B" and resid  154 and name  HB2) (segid "   B" and resid  154 and name   HA) 2.446 0.748 0.748 weight 1.000 ! spec=13C, no=4003, id=3585, vol=3.370000e+05
assign (segid "   B" and resid  154 and name HD12) (segid "   B" and resid  154 and name  HB2) 2.368 0.701 0.701 weight 1.000 ! spec=13C, no=4006, id=3587, vol=4.090000e+05
assign (segid "   B" and resid  154 and name  HB2) (segid "   B" and resid  155 and name  HA1) 4.024 2.024 2.024 weight 1.000 ! spec=13C, no=4008, id=3589, vol=1.700000e+04
assign (segid "   B" and resid  156 and name  HG2) (segid "   B" and resid  154 and name  HB2) 2.705 0.915 0.915 weight 1.000 ! spec=13C, no=4011, id=3592, vol=1.840000e+05
assign (segid "   B" and resid  152 and name   HA) (segid "   B" and resid  155 and name   HN) 2.187 0.598 0.598 weight 1.000 ! spec=13C, no=4013, id=3594, vol=6.600000e+05
assign (segid "   B" and resid  153 and name   HA) (segid "   B" and resid  155 and name   HN) 3.197 1.277 1.277 weight 1.000 ! spec=13C, no=4015, id=3596, vol=6.760000e+04
assign (segid "   B" and resid  154 and name   HA) (segid "   B" and resid  155 and name   HN) 2.217 0.615 0.615 weight 1.000 ! spec=13C, no=4016, id=3597, vol=6.070000e+05
assign (segid "   B" and resid  154 and name  HB2) (segid "   B" and resid  155 and name   HN) 4.326 2.340 2.340 weight 1.000 ! spec=13C, no=4017, id=3598, vol=1.100000e+04
assign (segid "   B" and resid  156 and name  HG2) (segid "   B" and resid  155 and name   HN) 3.086 1.190 1.190 weight 1.000 ! spec=13C, no=4022, id=3603, vol=8.360000e+04
assign (segid "   B" and resid  151 and name   HA) (segid "   B" and resid  156 and name   HN) 2.805 0.984 0.984 weight 1.000 ! spec=13C, no=4023, id=3604, vol=1.480000e+05
assign (segid "   B" and resid  151 and name  HB2) (segid "   B" and resid  156 and name   HN) 4.968 3.085 3.085 weight 1.000 ! spec=13C, no=4024, id=3605, vol=4.800000e+03
assign (segid "   B" and resid  154 and name  HB2) (segid "   B" and resid  156 and name   HN) 4.326 2.340 2.340 weight 1.000 ! spec=13C, no=4028, id=3609, vol=1.100000e+04
assign (segid "   B" and resid  156 and name   HA) (segid "   B" and resid  156 and name   HN) 1.929 0.465 0.465 weight 1.000 ! spec=13C, no=4030, id=3611, vol=1.400000e+06
assign (segid "   B" and resid  156 and name  HB2) (segid "   B" and resid  156 and name   HA) 2.433 0.740 0.740 weight 1.000 ! spec=13C, no=4037, id=3617, vol=3.480000e+05
assign (segid "   B" and resid  156 and name  HG2) (segid "   B" and resid  151 and name   HA) 2.585 0.835 0.835 weight 1.000 ! spec=13C, no=4040, id=3619, vol=2.420000e+05
assign (segid "   B" and resid  151 and name  HB2) (segid "   B" and resid  156 and name  HG2) 2.569 0.825 0.825 weight 1.000 ! spec=13C, no=4041, id=3620, vol=2.510000e+05
assign (segid "   B" and resid  154 and name HD12) (segid "   B" and resid  156 and name  HG2) 2.961 1.096 1.096 weight 1.000 ! spec=13C, no=4044, id=3623, vol=1.070000e+05
assign (segid "   B" and resid  156 and name  HG2) (segid "   B" and resid  155 and name  HA1) 4.446 2.471 2.471 weight 1.000 ! spec=13C, no=4046, id=3625, vol=9.340000e+03
assign (segid "   B" and resid  156 and name  HG2) (segid "   B" and resid  156 and name   HA) 2.140 0.572 0.572 weight 1.000 ! spec=13C, no=4047, id=3626, vol=7.510000e+05
assign (segid "   B" and resid  156 and name  HG2) (segid "   B" and resid  156 and name  HB2) 3.323 1.380 1.380 weight 1.000 ! spec=13C, no=4048, id=3627, vol=5.360000e+04
assign (segid "   B" and resid  156 and name  HG2) (segid "   B" and resid  157 and name   HN) 3.832 1.835 1.835 weight 1.000 ! spec=13C, no=4052, id=3630, vol=2.280000e+04
assign (segid "   B" and resid  151 and name  HB2) (segid "   B" and resid  157 and name   HA) 3.923 1.923 1.923 weight 1.000 ! spec=13C, no=4053, id=3631, vol=1.980000e+04
assign (segid "   B" and resid  152 and name   HA) (segid "   B" and resid  157 and name   HA) 2.842 1.009 1.009 weight 1.000 ! spec=13C, no=4054, id=3632, vol=1.370000e+05
assign (segid "   B" and resid  152 and name  HB2) (segid "   B" and resid  157 and name   HA) 3.004 1.128 1.128 weight 1.000 ! spec=13C, no=4055, id=3633, vol=9.820000e+04
assign (segid "   B" and resid  152 and name  HD2) (segid "   B" and resid  157 and name   HA) 2.761 0.953 0.953 weight 1.000 ! spec=13C, no=4056, id=3634, vol=1.630000e+05
assign (segid "   B" and resid  152 and name  HG2) (segid "   B" and resid  157 and name   HA) 4.475 2.504 2.504 weight 1.000 ! spec=13C, no=4057, id=3635, vol=8.980000e+03
assign (segid "   B" and resid  156 and name   HA) (segid "   B" and resid  157 and name   HA) 3.329 1.385 1.385 weight 1.000 ! spec=13C, no=4058, id=3636, vol=5.300000e+04
assign (segid "   B" and resid  158 and name  HG2) (segid "   B" and resid  157 and name   HA) 2.818 0.993 0.993 weight 1.000 ! spec=13C, no=4061, id=3639, vol=1.440000e+05
assign (segid "   B" and resid  152 and name   HA) (segid "   B" and resid  157 and name  HB2) 2.821 0.995 0.995 weight 1.000 ! spec=13C, no=4062, id=3640, vol=1.430000e+05
assign (segid "   B" and resid  152 and name  HB2) (segid "   B" and resid  157 and name  HB2) 2.878 1.035 1.035 weight 1.000 ! spec=13C, no=4063, id=3641, vol=1.270000e+05
assign (segid "   B" and resid  152 and name  HD2) (segid "   B" and resid  157 and name  HB2) 2.703 0.913 0.913 weight 1.000 ! spec=13C, no=4064, id=3642, vol=1.850000e+05
assign (segid "   B" and resid  159 and name   HB) (segid "   B" and resid  158 and name   HA) 5.492 3.770 3.770 weight 1.000 ! spec=13C, no=4071, id=3648, vol=2.630000e+03
assign (segid "   B" and resid  158 and name  HB2) (segid "   B" and resid  158 and name   HA) 2.142 0.573 0.573 weight 1.000 ! spec=13C, no=4073, id=3650, vol=7.480000e+05
assign (segid "   B" and resid  158 and name  HG2) (segid "   B" and resid  158 and name  HB2) 1.619 0.328 0.328 weight 1.000 ! spec=13C, no=4075, id=3651, vol=4.000000e+06
assign (segid "   B" and resid  159 and name   HA) (segid "   B" and resid  158 and name  HB2) 2.971 1.103 1.103 weight 1.000 ! spec=13C, no=4076, id=3652, vol=1.050000e+05
assign (segid "   B" and resid  163 and name   HA) (segid "   B" and resid  158 and name  HB2) 3.535 1.562 1.562 weight 1.000 ! spec=13C, no=4077, id=3653, vol=3.700000e+04
assign (segid "   B" and resid  163 and name  HB2) (segid "   B" and resid  158 and name  HB2) 4.252 2.260 2.260 weight 1.000 ! spec=13C, no=4078, id=3654, vol=1.220000e+04
assign (segid "   B" and resid  163 and name HD12) (segid "   B" and resid  158 and name  HB2) 3.583 1.605 1.605 weight 1.000 ! spec=13C, no=4079, id=3655, vol=3.410000e+04
assign (segid "   B" and resid  151 and name   HA) (segid "   B" and resid  158 and name  HD2) 3.662 1.677 1.677 weight 1.000 ! spec=13C, no=4081, id=3657, vol=2.990000e+04
assign (segid "   B" and resid  151 and name  HB2) (segid "   B" and resid  158 and name  HD2) 3.299 1.360 1.360 weight 1.000 ! spec=13C, no=4082, id=3658, vol=5.600000e+04
assign (segid "   B" and resid  151 and name  HG2) (segid "   B" and resid  158 and name  HD2) 4.258 2.267 2.267 weight 1.000 ! spec=13C, no=4083, id=3659, vol=1.210000e+04
assign (segid "   B" and resid  152 and name  HD2) (segid "   B" and resid  158 and name  HD2) 3.547 1.573 1.573 weight 1.000 ! spec=13C, no=4084, id=3660, vol=3.620000e+04
assign (segid "   B" and resid  152 and name  HG2) (segid "   B" and resid  158 and name  HD2) 4.599 2.644 2.644 weight 1.000 ! spec=13C, no=4085, id=3661, vol=7.620000e+03
assign (segid "   B" and resid  158 and name   HA) (segid "   B" and resid  158 and name  HD2) 2.684 0.900 0.900 weight 1.000 ! spec=13C, no=4086, id=3662, vol=1.930000e+05
assign (segid "   B" and resid  158 and name  HB2) (segid "   B" and resid  158 and name  HD2) 2.693 0.907 0.907 weight 1.000 ! spec=13C, no=4087, id=3663, vol=1.890000e+05
assign (segid "   B" and resid  158 and name  HG2) (segid "   B" and resid  158 and name  HD2) 3.737 1.745 1.745 weight 1.000 ! spec=13C, no=4088, id=3664, vol=2.650000e+04
assign (segid "   B" and resid  158 and name  HG2) (segid "   B" and resid  158 and name   HA) 2.828 1.000 1.000 weight 1.000 ! spec=13C, no=4092, id=3668, vol=1.410000e+05
assign (segid "   B" and resid  163 and name  HB2) (segid "   B" and resid  158 and name  HG2) 3.875 1.877 1.877 weight 1.000 ! spec=13C, no=4095, id=3670, vol=2.130000e+04
assign (segid "   B" and resid  163 and name HD12) (segid "   B" and resid  158 and name  HG2) 3.315 1.373 1.373 weight 1.000 ! spec=13C, no=4096, id=3671, vol=5.440000e+04
assign (segid "   B" and resid  158 and name  HG2) (segid "   B" and resid  159 and name   HN) 2.231 0.622 0.622 weight 1.000 ! spec=13C, no=4100, id=3675, vol=5.850000e+05
assign (segid "   B" and resid  159 and name   HA) (segid "   B" and resid  159 and name   HN) 2.276 0.648 0.648 weight 1.000 ! spec=13C, no=4101, id=3676, vol=5.190000e+05
assign (segid "   B" and resid  159 and name   HB) (segid "   B" and resid  159 and name   HN) 5.346 3.573 3.573 weight 1.000 ! spec=13C, no=4102, id=3677, vol=3.090000e+03
assign (segid "   B" and resid  162 and name   HA) (segid "   B" and resid  159 and name   HN) 3.666 1.680 1.680 weight 1.000 ! spec=13C, no=4103, id=3678, vol=2.970000e+04
assign (segid "   B" and resid  162 and name  HB2) (segid "   B" and resid  159 and name   HN) 2.594 0.841 0.841 weight 1.000 ! spec=13C, no=4104, id=3679, vol=2.370000e+05
assign (segid "   B" and resid  159 and name   HB) (segid "   B" and resid  159 and name   HA) 1.961 0.481 0.481 weight 1.000 ! spec=13C, no=4111, id=3685, vol=1.270000e+06
assign (segid "   B" and resid  159 and name   HB) (segid "   B" and resid  160 and name   HA) 3.020 1.140 1.140 weight 1.000 ! spec=13C, no=4113, id=3686, vol=9.510000e+04
assign (segid "   B" and resid  161 and name  HB2) (segid "   B" and resid  159 and name   HB) 2.245 0.630 0.630 weight 1.000 ! spec=13C, no=4116, id=3689, vol=5.640000e+05
assign (segid "   B" and resid  160 and name  HB2) (segid "   B" and resid  160 and name   HN) 3.854 1.857 1.857 weight 1.000 ! spec=13C, no=4120, id=3693, vol=2.200000e+04
assign (segid "   B" and resid  160 and name  HG2) (segid "   B" and resid  160 and name   HN) 2.901 1.052 1.052 weight 1.000 ! spec=13C, no=4121, id=3694, vol=1.210000e+05
assign (segid "   B" and resid  160 and name   HA) (segid "   B" and resid  159 and name   HA) 3.017 1.138 1.138 weight 1.000 ! spec=13C, no=4123, id=3696, vol=9.560000e+04
assign (segid "   B" and resid  160 and name  HB2) (segid "   B" and resid  160 and name   HA) 3.060 1.170 1.170 weight 1.000 ! spec=13C, no=4125, id=3697, vol=8.790000e+04
assign (segid "   B" and resid  160 and name  HG2) (segid "   B" and resid  160 and name   HA) 2.790 0.973 0.973 weight 1.000 ! spec=13C, no=4126, id=3698, vol=1.530000e+05
assign (segid "   B" and resid  164 and name  HG2) (segid "   B" and resid  160 and name   HA) 2.430 0.738 0.738 weight 1.000 ! spec=13C, no=4131, id=3703, vol=3.500000e+05
assign (segid "   B" and resid  160 and name  HB2) (segid "   B" and resid  159 and name   HB) 4.743 2.812 2.812 weight 1.000 ! spec=13C, no=4133, id=3705, vol=6.340000e+03
assign (segid "   B" and resid  160 and name  HG2) (segid "   B" and resid  160 and name  HB2) 1.813 0.411 0.411 weight 1.000 ! spec=13C, no=4136, id=3707, vol=2.030000e+06
assign (segid "   B" and resid  163 and name  HB2) (segid "   B" and resid  160 and name  HG2) 3.504 1.534 1.534 weight 1.000 ! spec=13C, no=4141, id=3711, vol=3.900000e+04
assign (segid "   B" and resid  159 and name   HB) (segid "   B" and resid  161 and name   HN) 3.656 1.671 1.671 weight 1.000 ! spec=13C, no=4144, id=3714, vol=3.020000e+04
assign (segid "   B" and resid  160 and name  HB2) (segid "   B" and resid  161 and name   HN) 2.710 0.918 0.918 weight 1.000 ! spec=13C, no=4146, id=3716, vol=1.820000e+05
assign (segid "   B" and resid  160 and name  HG2) (segid "   B" and resid  161 and name   HN) 4.439 2.463 2.463 weight 1.000 ! spec=13C, no=4147, id=3717, vol=9.430000e+03
assign (segid "   B" and resid  162 and name   HA) (segid "   B" and resid  161 and name   HN) 3.815 1.819 1.819 weight 1.000 ! spec=13C, no=4150, id=3720, vol=2.340000e+04
assign (segid "   B" and resid  161 and name   HA) (segid "   B" and resid  160 and name   HA) 3.326 1.383 1.383 weight 1.000 ! spec=13C, no=4151, id=3721, vol=5.330000e+04
assign (segid "   B" and resid  161 and name   HA) (segid "   B" and resid  160 and name  HB2) 2.913 1.061 1.061 weight 1.000 ! spec=13C, no=4152, id=3722, vol=1.180000e+05
assign (segid "   B" and resid  161 and name  HB2) (segid "   B" and resid  161 and name   HA) 4.044 2.044 2.044 weight 1.000 ! spec=13C, no=4154, id=3723, vol=1.650000e+04
assign (segid "   B" and resid  162 and name   HA) (segid "   B" and resid  161 and name   HA) 3.381 1.429 1.429 weight 1.000 ! spec=13C, no=4155, id=3724, vol=4.830000e+04
assign (segid "   B" and resid  164 and name  HB1) (segid "   B" and resid  161 and name   HA) 3.133 1.227 1.227 weight 1.000 ! spec=13C, no=4156, id=3725, vol=7.630000e+04
assign (segid "   B" and resid  159 and name   HA) (segid "   B" and resid  162 and name   HN) 2.599 0.844 0.844 weight 1.000 ! spec=13C, no=4158, id=3727, vol=2.340000e+05
assign (segid "   B" and resid  160 and name   HA) (segid "   B" and resid  162 and name   HN) 5.119 3.275 3.275 weight 1.000 ! spec=13C, no=4160, id=3729, vol=4.010000e+03
assign (segid "   B" and resid  161 and name   HA) (segid "   B" and resid  162 and name   HN) 3.662 1.677 1.677 weight 1.000 ! spec=13C, no=4161, id=3730, vol=2.990000e+04
assign (segid "   B" and resid  163 and name   HA) (segid "   B" and resid  162 and name   HN) 3.964 1.964 1.964 weight 1.000 ! spec=13C, no=4166, id=3735, vol=1.860000e+04
assign (segid "   B" and resid  161 and name  HB2) (segid "   B" and resid  162 and name   HA) 3.434 1.474 1.474 weight 1.000 ! spec=13C, no=4169, id=3738, vol=4.400000e+04
assign (segid "   B" and resid  162 and name  HG2) (segid "   B" and resid  162 and name   HA) 2.793 0.975 0.975 weight 1.000 ! spec=13C, no=4172, id=3740, vol=1.520000e+05
assign (segid "   B" and resid  162 and name  HB2) (segid "   B" and resid  162 and name   HA) 3.099 1.200 1.200 weight 1.000 ! spec=13C, no=4178, id=3746, vol=8.150000e+04
assign (segid "   B" and resid  162 and name  HG2) (segid "   B" and resid  162 and name  HB2) 2.566 0.823 0.823 weight 1.000 ! spec=13C, no=4180, id=3747, vol=2.530000e+05
assign (segid "   B" and resid  163 and name  HB2) (segid "   B" and resid  162 and name  HB2) 4.122 2.124 2.124 weight 1.000 ! spec=13C, no=4182, id=3749, vol=1.470000e+04
assign (segid "   B" and resid  159 and name   HA) (segid "   B" and resid  162 and name  HG2) 2.971 1.103 1.103 weight 1.000 ! spec=13C, no=4183, id=3750, vol=1.050000e+05
assign (segid "   B" and resid  161 and name   HA) (segid "   B" and resid  162 and name  HG2) 3.573 1.595 1.595 weight 1.000 ! spec=13C, no=4185, id=3752, vol=3.470000e+04
assign (segid "   B" and resid  161 and name  HB2) (segid "   B" and resid  162 and name  HG2) 2.961 1.096 1.096 weight 1.000 ! spec=13C, no=4186, id=3753, vol=1.070000e+05
assign (segid "   B" and resid  158 and name  HB2) (segid "   B" and resid  163 and name   HN) 2.943 1.083 1.083 weight 1.000 ! spec=13C, no=4191, id=3757, vol=1.110000e+05
assign (segid "   B" and resid  159 and name   HA) (segid "   B" and resid  163 and name   HN) 2.995 1.121 1.121 weight 1.000 ! spec=13C, no=4192, id=3758, vol=1.000000e+05
assign (segid "   B" and resid  161 and name   HA) (segid "   B" and resid  163 and name   HN) 2.863 1.025 1.025 weight 1.000 ! spec=13C, no=4196, id=3762, vol=1.310000e+05
assign (segid "   B" and resid  162 and name   HA) (segid "   B" and resid  163 and name   HN) 3.878 1.880 1.880 weight 1.000 ! spec=13C, no=4197, id=3763, vol=2.120000e+04
assign (segid "   B" and resid  162 and name  HG2) (segid "   B" and resid  163 and name   HN) 2.728 0.930 0.930 weight 1.000 ! spec=13C, no=4199, id=3765, vol=1.750000e+05
assign (segid "   B" and resid  163 and name HD12) (segid "   B" and resid  163 and name   HN) 4.109 2.110 2.110 weight 1.000 ! spec=13C, no=4202, id=3768, vol=1.500000e+04
assign (segid "   B" and resid  164 and name   HA) (segid "   B" and resid  163 and name   HN) 3.786 1.792 1.792 weight 1.000 ! spec=13C, no=4204, id=3770, vol=2.450000e+04
assign (segid "   B" and resid  158 and name  HG2) (segid "   B" and resid  163 and name   HA) 2.787 0.971 0.971 weight 1.000 ! spec=13C, no=4206, id=3772, vol=1.540000e+05
assign (segid "   B" and resid  163 and name   HA) (segid "   B" and resid  162 and name   HA) 3.381 1.429 1.429 weight 1.000 ! spec=13C, no=4207, id=3773, vol=4.830000e+04
assign (segid "   B" and resid  163 and name   HA) (segid "   B" and resid  162 and name  HB2) 3.068 1.177 1.177 weight 1.000 ! spec=13C, no=4208, id=3774, vol=8.650000e+04
assign (segid "   B" and resid  163 and name HD12) (segid "   B" and resid  163 and name   HA) 2.251 0.634 0.634 weight 1.000 ! spec=13C, no=4212, id=3777, vol=5.540000e+05
assign (segid "   B" and resid  166 and name   HA) (segid "   B" and resid  163 and name   HA) 3.276 1.341 1.341 weight 1.000 ! spec=13C, no=4214, id=3779, vol=5.840000e+04
assign (segid "   B" and resid  166 and name  HG2) (segid "   B" and resid  163 and name   HA) 3.926 1.927 1.927 weight 1.000 ! spec=13C, no=4216, id=3781, vol=1.970000e+04
assign (segid "   B" and resid  159 and name   HA) (segid "   B" and resid  163 and name  HB2) 2.579 0.832 0.832 weight 1.000 ! spec=13C, no=4220, id=3785, vol=2.450000e+05
assign (segid "   B" and resid  163 and name  HB2) (segid "   B" and resid  160 and name   HA) 4.461 2.488 2.488 weight 1.000 ! spec=13C, no=4221, id=3786, vol=9.150000e+03
assign (segid "   B" and resid  162 and name   HA) (segid "   B" and resid  163 and name  HB2) 3.339 1.393 1.393 weight 1.000 ! spec=13C, no=4222, id=3787, vol=5.210000e+04
assign (segid "   B" and resid  163 and name  HB2) (segid "   B" and resid  163 and name   HA) 3.343 1.397 1.397 weight 1.000 ! spec=13C, no=4224, id=3789, vol=5.170000e+04
assign (segid "   B" and resid  163 and name HD12) (segid "   B" and resid  163 and name  HB2) 3.278 1.343 1.343 weight 1.000 ! spec=13C, no=4226, id=3790, vol=5.820000e+04
assign (segid "   B" and resid  160 and name  HB2) (segid "   B" and resid  164 and name   HN) 2.758 0.951 0.951 weight 1.000 ! spec=13C, no=4229, id=3793, vol=1.640000e+05
assign (segid "   B" and resid  161 and name   HA) (segid "   B" and resid  164 and name   HN) 4.924 3.031 3.031 weight 1.000 ! spec=13C, no=4230, id=3794, vol=5.060000e+03
assign (segid "   B" and resid  162 and name   HA) (segid "   B" and resid  164 and name   HN) 4.069 2.069 2.069 weight 1.000 ! spec=13C, no=4231, id=3795, vol=1.590000e+04
assign (segid "   B" and resid  163 and name   HA) (segid "   B" and resid  164 and name   HN) 3.367 1.417 1.417 weight 1.000 ! spec=13C, no=4232, id=3796, vol=4.950000e+04
assign (segid "   B" and resid  164 and name  HB1) (segid "   B" and resid  164 and name   HN) 3.556 1.580 1.580 weight 1.000 ! spec=13C, no=4235, id=3799, vol=3.570000e+04
assign (segid "   B" and resid  164 and name  HG2) (segid "   B" and resid  164 and name   HN) 2.320 0.673 0.673 weight 1.000 ! spec=13C, no=4236, id=3800, vol=4.630000e+05
assign (segid "   B" and resid  164 and name   HA) (segid "   B" and resid  163 and name   HA) 3.038 1.154 1.154 weight 1.000 ! spec=13C, no=4239, id=3803, vol=9.180000e+04
assign (segid "   B" and resid  164 and name   HA) (segid "   B" and resid  163 and name  HB2) 4.474 2.503 2.503 weight 1.000 ! spec=13C, no=4240, id=3804, vol=8.990000e+03
assign (segid "   B" and resid  164 and name  HG2) (segid "   B" and resid  164 and name   HA) 2.414 0.728 0.728 weight 1.000 ! spec=13C, no=4243, id=3806, vol=3.650000e+05
assign (segid "   B" and resid  165 and name   HA) (segid "   B" and resid  164 and name   HA) 3.026 1.145 1.145 weight 1.000 ! spec=13C, no=4244, id=3807, vol=9.390000e+04
assign (segid "   B" and resid  167 and name   HA) (segid "   B" and resid  164 and name   HA) 6.623 5.483 5.483 weight 1.000 ! spec=13C, no=4245, id=3808, vol=8.550000e+02
assign (segid "   B" and resid  167 and name   HB) (segid "   B" and resid  164 and name   HA) 2.778 0.965 0.965 weight 1.000 ! spec=13C, no=4246, id=3809, vol=1.570000e+05
assign (segid "   B" and resid  160 and name  HB2) (segid "   B" and resid  164 and name  HG2) 2.236 0.625 0.625 weight 1.000 ! spec=13C, no=4248, id=3811, vol=5.770000e+05
assign (segid "   B" and resid  160 and name  HG2) (segid "   B" and resid  164 and name  HG2) 1.687 0.356 0.356 weight 1.000 ! spec=13C, no=4249, id=3812, vol=3.130000e+06
assign (segid "   B" and resid  164 and name  HG2) (segid "   B" and resid  161 and name   HA) 4.964 3.081 3.081 weight 1.000 ! spec=13C, no=4250, id=3813, vol=4.820000e+03
assign (segid "   B" and resid  163 and name   HA) (segid "   B" and resid  164 and name  HG2) 3.302 1.363 1.363 weight 1.000 ! spec=13C, no=4251, id=3814, vol=5.570000e+04
assign (segid "   B" and resid  164 and name  HG2) (segid "   B" and resid  163 and name  HB2) 3.533 1.560 1.560 weight 1.000 ! spec=13C, no=4252, id=3815, vol=3.710000e+04
assign (segid "   B" and resid  164 and name  HB1) (segid "   B" and resid  164 and name  HG2) 2.392 0.715 0.715 weight 1.000 ! spec=13C, no=4254, id=3817, vol=3.850000e+05
assign (segid "   B" and resid  161 and name   HA) (segid "   B" and resid  165 and name   HN) 3.463 1.499 1.499 weight 1.000 ! spec=13C, no=4256, id=3818, vol=4.180000e+04
assign (segid "   B" and resid  163 and name   HA) (segid "   B" and resid  165 and name   HN) 5.277 3.481 3.481 weight 1.000 ! spec=13C, no=4258, id=3820, vol=3.340000e+03
assign (segid "   B" and resid  164 and name  HB1) (segid "   B" and resid  165 and name   HN) 3.615 1.634 1.634 weight 1.000 ! spec=13C, no=4260, id=3822, vol=3.230000e+04
assign (segid "   B" and resid  166 and name   HA) (segid "   B" and resid  165 and name   HN) 3.604 1.624 1.624 weight 1.000 ! spec=13C, no=4264, id=3826, vol=3.290000e+04
assign (segid "   B" and resid  164 and name  HB1) (segid "   B" and resid  165 and name   HA) 3.399 1.444 1.444 weight 1.000 ! spec=13C, no=4266, id=3828, vol=4.680000e+04
assign (segid "   B" and resid  165 and name  HB2) (segid "   B" and resid  165 and name   HA) 2.723 0.927 0.927 weight 1.000 ! spec=13C, no=4268, id=3829, vol=1.770000e+05
assign (segid "   B" and resid  166 and name   HA) (segid "   B" and resid  165 and name   HA) 3.352 1.404 1.404 weight 1.000 ! spec=13C, no=4269, id=3830, vol=5.090000e+04
assign (segid "   B" and resid  161 and name   HA) (segid "   B" and resid  165 and name  HB2) 3.411 1.454 1.454 weight 1.000 ! spec=13C, no=4272, id=3833, vol=4.580000e+04
assign (segid "   B" and resid  164 and name   HA) (segid "   B" and resid  165 and name  HB2) 4.635 2.685 2.685 weight 1.000 ! spec=13C, no=4274, id=3835, vol=7.280000e+03
assign (segid "   B" and resid  163 and name  HB2) (segid "   B" and resid  166 and name   HN) 3.709 1.720 1.720 weight 1.000 ! spec=13C, no=4280, id=3840, vol=2.770000e+04
assign (segid "   B" and resid  165 and name   HA) (segid "   B" and resid  166 and name   HN) 2.696 0.908 0.908 weight 1.000 ! spec=13C, no=4282, id=3842, vol=1.880000e+05
assign (segid "   B" and resid  166 and name  HG2) (segid "   B" and resid  166 and name   HN) 4.427 2.450 2.450 weight 1.000 ! spec=13C, no=4286, id=3846, vol=9.580000e+03
assign (segid "   B" and resid  167 and name   HA) (segid "   B" and resid  166 and name   HN) 6.798 5.777 5.777 weight 1.000 ! spec=13C, no=4287, id=3847, vol=7.310000e+02
assign (segid "   B" and resid  169 and name  HB2) (segid "   B" and resid  166 and name   HA) 3.393 1.439 1.439 weight 1.000 ! spec=13C, no=4295, id=3854, vol=4.730000e+04
assign (segid "   B" and resid  169 and name  HG2) (segid "   B" and resid  166 and name   HA) 4.423 2.445 2.445 weight 1.000 ! spec=13C, no=4296, id=3855, vol=9.640000e+03
assign (segid "   B" and resid  166 and name  HB2) (segid "   B" and resid  163 and name   HA) 3.120 1.217 1.217 weight 1.000 ! spec=13C, no=4297, id=3856, vol=7.820000e+04
assign (segid "   B" and resid  166 and name  HB2) (segid "   B" and resid  166 and name   HA) 3.399 1.444 1.444 weight 1.000 ! spec=13C, no=4298, id=3857, vol=4.680000e+04
assign (segid "   B" and resid  166 and name  HE2) (segid "   B" and resid  166 and name  HB2) 3.614 1.632 1.632 weight 1.000 ! spec=13C, no=4300, id=3858, vol=3.240000e+04
assign (segid "   B" and resid  166 and name  HG2) (segid "   B" and resid  166 and name  HB2) 4.095 2.096 2.096 weight 1.000 ! spec=13C, no=4301, id=3859, vol=1.530000e+04
assign (segid "   B" and resid  147 and name HD12) (segid "   B" and resid  166 and name  HG2) 3.929 1.930 1.930 weight 1.000 ! spec=13C, no=4302, id=3860, vol=1.960000e+04
assign (segid "   B" and resid  163 and name HD12) (segid "   B" and resid  166 and name  HG2) 3.586 1.608 1.608 weight 1.000 ! spec=13C, no=4303, id=3861, vol=3.390000e+04
assign (segid "   B" and resid  166 and name  HG2) (segid "   B" and resid  166 and name   HA) 3.426 1.467 1.467 weight 1.000 ! spec=13C, no=4304, id=3862, vol=4.460000e+04
assign (segid "   B" and resid  167 and name   HA) (segid "   B" and resid  166 and name  HG2) 3.872 1.874 1.874 weight 1.000 ! spec=13C, no=4308, id=3865, vol=2.140000e+04
assign (segid "   B" and resid  147 and name HD12) (segid "   B" and resid  166 and name  HE2) 2.362 0.698 0.698 weight 1.000 ! spec=13C, no=4310, id=3867, vol=4.150000e+05
assign (segid "   B" and resid  166 and name  HE2) (segid "   B" and resid  151 and name  HE2) 2.607 0.849 0.849 weight 1.000 ! spec=13C, no=4312, id=3869, vol=2.300000e+05
assign (segid "   B" and resid  166 and name  HE2) (segid "   B" and resid  166 and name  HG2) 4.213 2.219 2.219 weight 1.000 ! spec=13C, no=4315, id=3871, vol=1.290000e+04
assign (segid "   B" and resid  163 and name HD12) (segid "   B" and resid  167 and name   HN) 3.082 1.188 1.188 weight 1.000 ! spec=13C, no=4318, id=3874, vol=8.410000e+04
assign (segid "   B" and resid  165 and name   HA) (segid "   B" and resid  167 and name   HN) 3.301 1.362 1.362 weight 1.000 ! spec=13C, no=4320, id=3876, vol=5.580000e+04
assign (segid "   B" and resid  166 and name   HA) (segid "   B" and resid  167 and name   HN) 3.878 1.880 1.880 weight 1.000 ! spec=13C, no=4321, id=3877, vol=2.120000e+04
assign (segid "   B" and resid  166 and name  HG2) (segid "   B" and resid  167 and name   HN) 3.381 1.429 1.429 weight 1.000 ! spec=13C, no=4323, id=3879, vol=4.830000e+04
assign (segid "   B" and resid  168 and name   HA) (segid "   B" and resid  167 and name   HN) 4.104 2.105 2.105 weight 1.000 ! spec=13C, no=4326, id=3882, vol=1.510000e+04
assign (segid "   B" and resid  147 and name HD12) (segid "   B" and resid  167 and name   HA) 5.666 4.013 4.013 weight 1.000 ! spec=13C, no=4327, id=3883, vol=2.180000e+03
assign (segid "   B" and resid  167 and name   HA) (segid "   B" and resid  166 and name   HA) 3.479 1.513 1.513 weight 1.000 ! spec=13C, no=4328, id=3884, vol=4.070000e+04
assign (segid "   B" and resid  167 and name   HB) (segid "   B" and resid  167 and name   HA) 3.771 1.777 1.777 weight 1.000 ! spec=13C, no=4332, id=3887, vol=2.510000e+04
assign (segid "   B" and resid  168 and name   HA) (segid "   B" and resid  167 and name   HA) 3.125 1.221 1.221 weight 1.000 ! spec=13C, no=4333, id=3888, vol=7.740000e+04
assign (segid "   B" and resid  170 and name   HA) (segid "   B" and resid  167 and name   HA) 2.599 0.844 0.844 weight 1.000 ! spec=13C, no=4334, id=3889, vol=2.340000e+05
assign (segid "   B" and resid  164 and name  HB1) (segid "   B" and resid  167 and name   HB) 3.559 1.583 1.583 weight 1.000 ! spec=13C, no=4338, id=3893, vol=3.550000e+04
assign (segid "   B" and resid  168 and name   HA) (segid "   B" and resid  167 and name   HB) 3.681 1.694 1.694 weight 1.000 ! spec=13C, no=4341, id=3895, vol=2.900000e+04
assign (segid "   B" and resid  168 and name  HB2) (segid "   B" and resid  167 and name   HB) 2.995 1.121 1.121 weight 1.000 ! spec=13C, no=4342, id=3896, vol=1.000000e+05
assign (segid "   B" and resid  166 and name   HA) (segid "   B" and resid  168 and name   HN) 3.349 1.402 1.402 weight 1.000 ! spec=13C, no=4345, id=3899, vol=5.110000e+04
assign (segid "   B" and resid  168 and name   HA) (segid "   B" and resid  168 and name   HN) 2.562 0.821 0.821 weight 1.000 ! spec=13C, no=4348, id=3902, vol=2.550000e+05
assign (segid "   B" and resid  165 and name  HB2) (segid "   B" and resid  168 and name  HB2) 3.208 1.286 1.286 weight 1.000 ! spec=13C, no=4359, id=3912, vol=6.620000e+04
assign (segid "   B" and resid  166 and name   HA) (segid "   B" and resid  168 and name  HB2) 3.239 1.311 1.311 weight 1.000 ! spec=13C, no=4360, id=3913, vol=6.250000e+04
assign (segid "   B" and resid  167 and name   HA) (segid "   B" and resid  168 and name  HB2) 3.640 1.657 1.657 weight 1.000 ! spec=13C, no=4361, id=3914, vol=3.100000e+04
assign (segid "   B" and resid  168 and name  HB2) (segid "   B" and resid  168 and name   HA) 2.467 0.761 0.761 weight 1.000 ! spec=13C, no=4362, id=3915, vol=3.200000e+05
assign (segid "   B" and resid  165 and name   HA) (segid "   B" and resid  169 and name   HN) 3.781 1.787 1.787 weight 1.000 ! spec=13C, no=4366, id=3918, vol=2.470000e+04
assign (segid "   B" and resid  166 and name   HA) (segid "   B" and resid  169 and name   HN) 3.638 1.655 1.655 weight 1.000 ! spec=13C, no=4367, id=3919, vol=3.110000e+04
assign (segid "   B" and resid  168 and name   HA) (segid "   B" and resid  169 and name   HN) 2.849 1.014 1.014 weight 1.000 ! spec=13C, no=4369, id=3921, vol=1.350000e+05
assign (segid "   B" and resid  170 and name   HA) (segid "   B" and resid  169 and name   HN) 3.023 1.142 1.142 weight 1.000 ! spec=13C, no=4374, id=3926, vol=9.450000e+04
assign (segid "   B" and resid  169 and name   HA) (segid "   B" and resid  168 and name   HA) 2.917 1.064 1.064 weight 1.000 ! spec=13C, no=4375, id=3927, vol=1.170000e+05
assign (segid "   B" and resid  169 and name   HA) (segid "   B" and resid  168 and name  HB2) 4.436 2.460 2.460 weight 1.000 ! spec=13C, no=4376, id=3928, vol=9.470000e+03
assign (segid "   B" and resid  165 and name   HA) (segid "   B" and resid  169 and name  HB2) 4.490 2.520 2.520 weight 1.000 ! spec=13C, no=4381, id=3932, vol=8.800000e+03
assign (segid "   B" and resid  169 and name  HB2) (segid "   B" and resid  168 and name  HB2) 3.552 1.577 1.577 weight 1.000 ! spec=13C, no=4384, id=3935, vol=3.590000e+04
assign (segid "   B" and resid  169 and name  HB2) (segid "   B" and resid  169 and name   HA) 3.204 1.283 1.283 weight 1.000 ! spec=13C, no=4385, id=3936, vol=6.670000e+04
assign (segid "   B" and resid  169 and name  HG2) (segid "   B" and resid  169 and name   HA) 3.304 1.364 1.364 weight 1.000 ! spec=13C, no=4388, id=3938, vol=5.550000e+04
assign (segid "   B" and resid  169 and name  HG2) (segid "   B" and resid  169 and name  HB2) 3.147 1.238 1.238 weight 1.000 ! spec=13C, no=4389, id=3939, vol=7.430000e+04
assign (segid "   B" and resid  186 and name  HE2) (segid "   B" and resid  169 and name  HG2) 3.913 1.914 1.914 weight 1.000 ! spec=13C, no=4391, id=3940, vol=2.010000e+04
assign (segid "   B" and resid  166 and name   HA) (segid "   B" and resid  170 and name   HN) 3.502 1.533 1.533 weight 1.000 ! spec=13C, no=4392, id=3941, vol=3.910000e+04
assign (segid "   B" and resid  168 and name   HA) (segid "   B" and resid  170 and name   HN) 2.772 0.961 0.961 weight 1.000 ! spec=13C, no=4394, id=3943, vol=1.590000e+05
assign (segid "   B" and resid  186 and name  HE2) (segid "   B" and resid  170 and name   HN) 3.960 1.960 1.960 weight 1.000 ! spec=13C, no=4401, id=3950, vol=1.870000e+04
assign (segid "   B" and resid  170 and name   HA) (segid "   B" and resid  169 and name   HA) 3.256 1.326 1.326 weight 1.000 ! spec=13C, no=4402, id=3951, vol=6.050000e+04
assign (segid "   B" and resid  169 and name  HB2) (segid "   B" and resid  170 and name   HA) 3.723 1.732 1.732 weight 1.000 ! spec=13C, no=4403, id=3952, vol=2.710000e+04
assign (segid "   B" and resid  170 and name   HB) (segid "   B" and resid  170 and name   HA) 3.338 1.392 1.392 weight 1.000 ! spec=13C, no=4405, id=3953, vol=5.220000e+04
assign (segid "   B" and resid  167 and name   HB) (segid "   B" and resid  170 and name   HB) 3.761 1.768 1.768 weight 1.000 ! spec=13C, no=4412, id=3960, vol=2.550000e+04
assign (segid "   B" and resid  171 and name  HB2) (segid "   B" and resid  170 and name   HB) 6.823 5.819 5.819 weight 1.000 ! spec=13C, no=4417, id=3964, vol=7.150000e+02
assign (segid "   B" and resid  178 and name   HB) (segid "   B" and resid  170 and name   HB) 4.241 2.248 2.248 weight 1.000 ! spec=13C, no=4418, id=3965, vol=1.240000e+04
assign (segid "   B" and resid  167 and name   HB) (segid "   B" and resid  171 and name   HN) 4.109 2.110 2.110 weight 1.000 ! spec=13C, no=4420, id=3967, vol=1.500000e+04
assign (segid "   B" and resid  168 and name   HA) (segid "   B" and resid  171 and name   HN) 3.756 1.763 1.763 weight 1.000 ! spec=13C, no=4421, id=3968, vol=2.570000e+04
assign (segid "   B" and resid  169 and name   HA) (segid "   B" and resid  171 and name   HN) 3.341 1.395 1.395 weight 1.000 ! spec=13C, no=4422, id=3969, vol=5.190000e+04
assign (segid "   B" and resid  170 and name   HB) (segid "   B" and resid  171 and name   HN) 2.934 1.076 1.076 weight 1.000 ! spec=13C, no=4424, id=3971, vol=1.130000e+05
assign (segid "   B" and resid  171 and name   HA) (segid "   B" and resid  170 and name   HB) 4.320 2.333 2.333 weight 1.000 ! spec=13C, no=4428, id=3975, vol=1.110000e+04
assign (segid "   B" and resid  172 and name  HB2) (segid "   B" and resid  171 and name   HA) 3.386 1.433 1.433 weight 1.000 ! spec=13C, no=4432, id=3978, vol=4.790000e+04
assign (segid "   B" and resid  178 and name   HB) (segid "   B" and resid  171 and name   HA) 3.547 1.573 1.573 weight 1.000 ! spec=13C, no=4434, id=3980, vol=3.620000e+04
assign (segid "   B" and resid  182 and name   HA) (segid "   B" and resid  171 and name   HA) 3.166 1.253 1.253 weight 1.000 ! spec=13C, no=4435, id=3981, vol=7.160000e+04
assign (segid "   B" and resid  182 and name  HB2) (segid "   B" and resid  171 and name   HA) 2.713 0.920 0.920 weight 1.000 ! spec=13C, no=4436, id=3982, vol=1.810000e+05
assign (segid "   B" and resid  171 and name  HB2) (segid "   B" and resid  167 and name   HA) 3.345 1.399 1.399 weight 1.000 ! spec=13C, no=4438, id=3984, vol=5.150000e+04
assign (segid "   B" and resid  167 and name   HB) (segid "   B" and resid  171 and name  HB2) 4.450 2.475 2.475 weight 1.000 ! spec=13C, no=4439, id=3985, vol=9.290000e+03
assign (segid "   B" and resid  171 and name  HB2) (segid "   B" and resid  168 and name   HA) 3.137 1.230 1.230 weight 1.000 ! spec=13C, no=4440, id=3986, vol=7.570000e+04
assign (segid "   B" and resid  170 and name   HA) (segid "   B" and resid  171 and name  HB2) 2.901 1.052 1.052 weight 1.000 ! spec=13C, no=4441, id=3987, vol=1.210000e+05
assign (segid "   B" and resid  171 and name  HB2) (segid "   B" and resid  171 and name   HA) 2.196 0.603 0.603 weight 1.000 ! spec=13C, no=4443, id=3989, vol=6.430000e+05
assign (segid "   B" and resid  178 and name   HA) (segid "   B" and resid  171 and name  HB2) 3.405 1.449 1.449 weight 1.000 ! spec=13C, no=4445, id=3990, vol=4.630000e+04
assign (segid "   B" and resid  178 and name   HB) (segid "   B" and resid  171 and name  HB2) 3.854 1.857 1.857 weight 1.000 ! spec=13C, no=4446, id=3991, vol=2.200000e+04
assign (segid "   B" and resid  171 and name   HA) (segid "   B" and resid  172 and name   HN) 1.725 0.372 0.372 weight 1.000 ! spec=13C, no=4447, id=3992, vol=2.740000e+06
assign (segid "   B" and resid  171 and name  HB2) (segid "   B" and resid  172 and name   HN) 4.004 2.004 2.004 weight 1.000 ! spec=13C, no=4448, id=3993, vol=1.750000e+04
assign (segid "   B" and resid  182 and name  HB2) (segid "   B" and resid  172 and name   HN) 2.790 0.973 0.973 weight 1.000 ! spec=13C, no=4453, id=3998, vol=1.530000e+05
assign (segid "   B" and resid  172 and name   HA) (segid "   B" and resid  171 and name   HA) 2.670 0.891 0.891 weight 1.000 ! spec=13C, no=4455, id=4000, vol=1.990000e+05
assign (segid "   B" and resid  171 and name   HA) (segid "   B" and resid  173 and name   HN) 1.909 0.456 0.456 weight 1.000 ! spec=13C, no=4459, id=4003, vol=1.490000e+06
assign (segid "   B" and resid  172 and name  HB2) (segid "   B" and resid  173 and name   HN) 3.412 1.455 1.455 weight 1.000 ! spec=13C, no=4461, id=4005, vol=4.570000e+04
assign (segid "   B" and resid  173 and name  HB2) (segid "   B" and resid  173 and name   HN) 2.480 0.769 0.769 weight 1.000 ! spec=13C, no=4463, id=4007, vol=3.100000e+05
assign (segid "   B" and resid  182 and name  HG2) (segid "   B" and resid  173 and name   HN) 3.373 1.422 1.422 weight 1.000 ! spec=13C, no=4465, id=4009, vol=4.900000e+04
assign (segid "   B" and resid  172 and name  HB2) (segid "   B" and resid  173 and name   HA) 4.197 2.202 2.202 weight 1.000 ! spec=13C, no=4467, id=4011, vol=1.320000e+04
assign (segid "   B" and resid  173 and name   HA) (segid "   B" and resid  174 and name  HA1) 3.369 1.419 1.419 weight 1.000 ! spec=13C, no=4470, id=4013, vol=4.930000e+04
assign (segid "   B" and resid  173 and name  HB2) (segid "   B" and resid  173 and name   HA) 2.524 0.796 0.796 weight 1.000 ! spec=13C, no=4471, id=4014, vol=2.790000e+05
assign (segid "   B" and resid  174 and name  HA1) (segid "   B" and resid  173 and name  HB2) 4.741 2.810 2.810 weight 1.000 ! spec=13C, no=4473, id=4015, vol=6.350000e+03
assign (segid "   B" and resid  175 and name  HB2) (segid "   B" and resid  173 and name  HB2) 2.579 0.832 0.832 weight 1.000 ! spec=13C, no=4474, id=4016, vol=2.450000e+05
assign (segid "   B" and resid  171 and name  HB2) (segid "   B" and resid  174 and name   HN) 3.516 1.545 1.545 weight 1.000 ! spec=13C, no=4476, id=4018, vol=3.820000e+04
assign (segid "   B" and resid  172 and name  HB2) (segid "   B" and resid  174 and name   HN) 4.137 2.139 2.139 weight 1.000 ! spec=13C, no=4478, id=4020, vol=1.440000e+04
assign (segid "   B" and resid  173 and name   HA) (segid "   B" and resid  174 and name   HN) 2.361 0.697 0.697 weight 1.000 ! spec=13C, no=4479, id=4021, vol=4.160000e+05
assign (segid "   B" and resid  175 and name  HB2) (segid "   B" and resid  174 and name   HN) 4.176 2.180 2.180 weight 1.000 ! spec=13C, no=4483, id=4025, vol=1.360000e+04
assign (segid "   B" and resid  171 and name  HB2) (segid "   B" and resid  175 and name   HN) 3.854 1.857 1.857 weight 1.000 ! spec=13C, no=4484, id=4026, vol=2.200000e+04
assign (segid "   B" and resid  173 and name   HA) (segid "   B" and resid  175 and name   HN) 2.998 1.123 1.123 weight 1.000 ! spec=13C, no=4485, id=4027, vol=9.940000e+04
assign (segid "   B" and resid  173 and name  HB2) (segid "   B" and resid  175 and name   HN) 2.657 0.883 0.883 weight 1.000 ! spec=13C, no=4486, id=4028, vol=2.050000e+05
assign (segid "   B" and resid  176 and name  HA1) (segid "   B" and resid  175 and name   HN) 3.306 1.366 1.366 weight 1.000 ! spec=13C, no=4490, id=4032, vol=5.530000e+04
assign (segid "   B" and resid  175 and name   HA) (segid "   B" and resid  174 and name  HA1) 3.369 1.419 1.419 weight 1.000 ! spec=13C, no=4491, id=4033, vol=4.930000e+04
assign (segid "   B" and resid  175 and name   HA) (segid "   B" and resid  176 and name  HA1) 3.076 1.183 1.183 weight 1.000 ! spec=13C, no=4494, id=4035, vol=8.520000e+04
assign (segid "   B" and resid  175 and name  HB2) (segid "   B" and resid  175 and name   HA) 3.168 1.255 1.255 weight 1.000 ! spec=13C, no=4495, id=4036, vol=7.130000e+04
assign (segid "   B" and resid  171 and name  HB2) (segid "   B" and resid  176 and name   HN) 3.916 1.917 1.917 weight 1.000 ! spec=13C, no=4498, id=4038, vol=2.000000e+04
assign (segid "   B" and resid  174 and name  HA1) (segid "   B" and resid  176 and name   HN) 2.828 1.000 1.000 weight 1.000 ! spec=13C, no=4499, id=4039, vol=1.410000e+05
assign (segid "   B" and resid  175 and name   HA) (segid "   B" and resid  176 and name   HN) 2.825 0.997 0.997 weight 1.000 ! spec=13C, no=4500, id=4040, vol=1.420000e+05
assign (segid "   B" and resid  175 and name  HB2) (segid "   B" and resid  176 and name   HN) 4.295 2.305 2.305 weight 1.000 ! spec=13C, no=4501, id=4041, vol=1.150000e+04
assign (segid "   B" and resid  176 and name  HA1) (segid "   B" and resid  176 and name   HN) 3.783 1.789 1.789 weight 1.000 ! spec=13C, no=4502, id=4042, vol=2.460000e+04
assign (segid "   B" and resid  177 and name   HA) (segid "   B" and resid  176 and name   HN) 3.079 1.185 1.185 weight 1.000 ! spec=13C, no=4503, id=4043, vol=8.460000e+04
assign (segid "   B" and resid  171 and name  HB2) (segid "   B" and resid  177 and name   HN) 3.516 1.545 1.545 weight 1.000 ! spec=13C, no=4504, id=4044, vol=3.820000e+04
assign (segid "   B" and resid  175 and name   HA) (segid "   B" and resid  177 and name   HN) 3.154 1.243 1.243 weight 1.000 ! spec=13C, no=4505, id=4045, vol=7.330000e+04
assign (segid "   B" and resid  177 and name   HA) (segid "   B" and resid  177 and name   HN) 2.319 0.672 0.672 weight 1.000 ! spec=13C, no=4508, id=4048, vol=4.640000e+05
assign (segid "   B" and resid  178 and name   HA) (segid "   B" and resid  177 and name   HN) 3.073 1.180 1.180 weight 1.000 ! spec=13C, no=4510, id=4050, vol=8.570000e+04
assign (segid "   B" and resid  177 and name   HA) (segid "   B" and resid  176 and name  HA1) 3.174 1.259 1.259 weight 1.000 ! spec=13C, no=4514, id=4054, vol=7.060000e+04
assign (segid "   B" and resid  178 and name   HA) (segid "   B" and resid  177 and name   HA) 3.875 1.877 1.877 weight 1.000 ! spec=13C, no=4517, id=4056, vol=2.130000e+04
assign (segid "   B" and resid  177 and name   HA) (segid "   B" and resid  178 and name   HB) 3.964 1.964 1.964 weight 1.000 ! spec=13C, no=4518, id=4057, vol=1.860000e+04
assign (segid "   B" and resid  177 and name   HB) (segid "   B" and resid  141 and name   HB) 2.323 0.675 0.675 weight 1.000 ! spec=13C, no=4520, id=4059, vol=4.590000e+05
assign (segid "   B" and resid  142 and name   HA) (segid "   B" and resid  177 and name   HB) 3.487 1.520 1.520 weight 1.000 ! spec=13C, no=4521, id=4060, vol=4.010000e+04
assign (segid "   B" and resid  177 and name   HB) (segid "   B" and resid  143 and name   HA) 3.029 1.147 1.147 weight 1.000 ! spec=13C, no=4522, id=4061, vol=9.340000e+04
assign (segid "   B" and resid  143 and name   HB) (segid "   B" and resid  177 and name   HB) 2.715 0.922 0.922 weight 1.000 ! spec=13C, no=4523, id=4062, vol=1.800000e+05
assign (segid "   B" and resid  177 and name   HB) (segid "   B" and resid  177 and name   HA) 2.228 0.620 0.620 weight 1.000 ! spec=13C, no=4524, id=4063, vol=5.900000e+05
assign (segid "   B" and resid  178 and name   HA) (segid "   B" and resid  177 and name   HB) 2.747 0.943 0.943 weight 1.000 ! spec=13C, no=4526, id=4064, vol=1.680000e+05
assign (segid "   B" and resid  142 and name   HA) (segid "   B" and resid  178 and name   HN) 2.805 0.984 0.984 weight 1.000 ! spec=13C, no=4528, id=4066, vol=1.480000e+05
assign (segid "   B" and resid  178 and name   HA) (segid "   B" and resid  171 and name   HA) 2.682 0.899 0.899 weight 1.000 ! spec=13C, no=4535, id=4073, vol=1.940000e+05
assign (segid "   B" and resid  179 and name   HA) (segid "   B" and resid  178 and name   HA) 3.062 1.172 1.172 weight 1.000 ! spec=13C, no=4541, id=4078, vol=8.750000e+04
assign (segid "   B" and resid  179 and name  HB2) (segid "   B" and resid  178 and name   HA) 3.900 1.901 1.901 weight 1.000 ! spec=13C, no=4542, id=4079, vol=2.050000e+04
assign (segid "   B" and resid  182 and name  HG2) (segid "   B" and resid  178 and name   HA) 4.091 2.092 2.092 weight 1.000 ! spec=13C, no=4544, id=4081, vol=1.540000e+04
assign (segid "   B" and resid  178 and name   HB) (segid "   B" and resid  142 and name   HB) 2.999 1.124 1.124 weight 1.000 ! spec=13C, no=4546, id=4083, vol=9.910000e+04
assign (segid "   B" and resid  178 and name   HB) (segid "   B" and resid  178 and name   HA) 3.289 1.352 1.352 weight 1.000 ! spec=13C, no=4547, id=4084, vol=5.700000e+04
assign (segid "   B" and resid  182 and name   HA) (segid "   B" and resid  179 and name   HN) 3.683 1.696 1.696 weight 1.000 ! spec=13C, no=4554, id=4090, vol=2.890000e+04
assign (segid "   B" and resid  179 and name  HB2) (segid "   B" and resid  179 and name   HA) 3.783 1.789 1.789 weight 1.000 ! spec=13C, no=4562, id=4097, vol=2.460000e+04
assign (segid "   B" and resid  182 and name   HA) (segid "   B" and resid  179 and name  HB2) 3.223 1.298 1.298 weight 1.000 ! spec=13C, no=4565, id=4099, vol=6.440000e+04
assign (segid "   B" and resid  182 and name  HB2) (segid "   B" and resid  179 and name  HB2) 3.151 1.241 1.241 weight 1.000 ! spec=13C, no=4566, id=4100, vol=7.370000e+04
assign (segid "   B" and resid  182 and name  HG2) (segid "   B" and resid  179 and name  HB2) 3.562 1.586 1.586 weight 1.000 ! spec=13C, no=4567, id=4101, vol=3.530000e+04
assign (segid "   B" and resid  179 and name   HA) (segid "   B" and resid  180 and name   HA) 3.709 1.720 1.720 weight 1.000 ! spec=13C, no=4571, id=4105, vol=2.770000e+04
assign (segid "   B" and resid  179 and name  HB2) (segid "   B" and resid  180 and name   HA) 3.744 1.752 1.752 weight 1.000 ! spec=13C, no=4572, id=4106, vol=2.620000e+04
assign (segid "   B" and resid  183 and name   HA) (segid "   B" and resid  180 and name   HA) 3.239 1.311 1.311 weight 1.000 ! spec=13C, no=4574, id=4108, vol=6.250000e+04
assign (segid "   B" and resid  183 and name  HB2) (segid "   B" and resid  180 and name   HA) 2.733 0.934 0.934 weight 1.000 ! spec=13C, no=4575, id=4109, vol=1.730000e+05
assign (segid "   B" and resid  128 and name  HD2) (segid "   B" and resid  180 and name  HD1) 4.420 2.442 2.442 weight 1.000 ! spec=13C, no=4576, id=4110, vol=9.680000e+03
assign (segid "   B" and resid  181 and name  HG2) (segid "   B" and resid  180 and name  HD1) 3.556 1.580 1.580 weight 1.000 ! spec=13C, no=4577, id=4111, vol=3.570000e+04
assign (segid "   B" and resid  127 and name   HA) (segid "   B" and resid  180 and name  HE2) 2.758 0.951 0.951 weight 1.000 ! spec=13C, no=4579, id=4113, vol=1.640000e+05
assign (segid "   B" and resid  127 and name  HB2) (segid "   B" and resid  180 and name  HE2) 4.695 2.755 2.755 weight 1.000 ! spec=13C, no=4580, id=4114, vol=6.740000e+03
assign (segid "   B" and resid  128 and name   HA) (segid "   B" and resid  180 and name  HE2) 4.729 2.796 2.796 weight 1.000 ! spec=13C, no=4581, id=4115, vol=6.450000e+03
assign (segid "   B" and resid  128 and name  HB2) (segid "   B" and resid  180 and name  HE2) 3.081 1.187 1.187 weight 1.000 ! spec=13C, no=4582, id=4116, vol=8.430000e+04
assign (segid "   B" and resid  128 and name  HD2) (segid "   B" and resid  180 and name  HE2) 3.578 1.600 1.600 weight 1.000 ! spec=13C, no=4583, id=4117, vol=3.440000e+04
assign (segid "   B" and resid  131 and name  HB2) (segid "   B" and resid  180 and name  HE2) 5.326 3.546 3.546 weight 1.000 ! spec=13C, no=4584, id=4118, vol=3.160000e+03
assign (segid "   B" and resid  184 and name HD12) (segid "   B" and resid  180 and name  HE2) 3.477 1.512 1.512 weight 1.000 ! spec=13C, no=4586, id=4120, vol=4.080000e+04
assign (segid "   B" and resid  184 and name   HG) (segid "   B" and resid  180 and name  HE2) 3.489 1.522 1.522 weight 1.000 ! spec=13C, no=4587, id=4121, vol=4.000000e+04
assign (segid "   B" and resid  181 and name  HB2) (segid "   B" and resid  181 and name   HA) 3.305 1.365 1.365 weight 1.000 ! spec=13C, no=4589, id=4122, vol=5.540000e+04
assign (segid "   B" and resid  182 and name   HA) (segid "   B" and resid  181 and name   HA) 3.173 1.258 1.258 weight 1.000 ! spec=13C, no=4591, id=4124, vol=7.070000e+04
assign (segid "   B" and resid  184 and name   HA) (segid "   B" and resid  181 and name   HA) 3.239 1.311 1.311 weight 1.000 ! spec=13C, no=4592, id=4125, vol=6.250000e+04
assign (segid "   B" and resid  184 and name HD12) (segid "   B" and resid  181 and name   HA) 3.426 1.467 1.467 weight 1.000 ! spec=13C, no=4595, id=4128, vol=4.460000e+04
assign (segid "   B" and resid  181 and name   HA) (segid "   B" and resid  184 and name   HG) 3.043 1.158 1.158 weight 1.000 ! spec=13C, no=4596, id=4129, vol=9.080000e+04
assign (segid "   B" and resid  181 and name  HG2) (segid "   B" and resid  181 and name  HB2) 1.990 0.495 0.495 weight 1.000 ! spec=13C, no=4599, id=4131, vol=1.160000e+06
assign (segid "   B" and resid  182 and name  HG2) (segid "   B" and resid  181 and name  HB2) 4.978 3.098 3.098 weight 1.000 ! spec=13C, no=4601, id=4133, vol=4.740000e+03
assign (segid "   B" and resid  181 and name  HG2) (segid "   B" and resid  181 and name   HA) 4.016 2.016 2.016 weight 1.000 ! spec=13C, no=4602, id=4134, vol=1.720000e+04
assign (segid "   B" and resid  179 and name   HA) (segid "   B" and resid  182 and name   HN) 3.878 1.880 1.880 weight 1.000 ! spec=13C, no=4605, id=4136, vol=2.120000e+04
assign (segid "   B" and resid  181 and name  HG2) (segid "   B" and resid  182 and name   HN) 2.414 0.728 0.728 weight 1.000 ! spec=13C, no=4609, id=4140, vol=3.650000e+05
assign (segid "   B" and resid  182 and name  HB2) (segid "   B" and resid  182 and name   HN) 2.287 0.654 0.654 weight 1.000 ! spec=13C, no=4611, id=4142, vol=5.040000e+05
assign (segid "   B" and resid  182 and name  HG2) (segid "   B" and resid  182 and name   HN) 3.346 1.400 1.400 weight 1.000 ! spec=13C, no=4612, id=4143, vol=5.140000e+04
assign (segid "   B" and resid  183 and name   HA) (segid "   B" and resid  182 and name   HN) 4.020 2.020 2.020 weight 1.000 ! spec=13C, no=4613, id=4144, vol=1.710000e+04
assign (segid "   B" and resid  172 and name   HA) (segid "   B" and resid  182 and name   HA) 3.272 1.338 1.338 weight 1.000 ! spec=13C, no=4614, id=4145, vol=5.880000e+04
assign (segid "   B" and resid  172 and name  HB2) (segid "   B" and resid  182 and name   HA) 4.301 2.312 2.312 weight 1.000 ! spec=13C, no=4615, id=4146, vol=1.140000e+04
assign (segid "   B" and resid  182 and name   HA) (segid "   B" and resid  181 and name  HB2) 2.612 0.853 0.853 weight 1.000 ! spec=13C, no=4617, id=4148, vol=2.270000e+05
assign (segid "   B" and resid  183 and name   HA) (segid "   B" and resid  182 and name   HA) 3.239 1.311 1.311 weight 1.000 ! spec=13C, no=4621, id=4151, vol=6.250000e+04
assign (segid "   B" and resid  185 and name   HA) (segid "   B" and resid  182 and name   HA) 3.269 1.336 1.336 weight 1.000 ! spec=13C, no=4622, id=4152, vol=5.910000e+04
assign (segid "   B" and resid  182 and name  HB2) (segid "   B" and resid  178 and name   HA) 2.487 0.773 0.773 weight 1.000 ! spec=13C, no=4624, id=4154, vol=3.050000e+05
assign (segid "   B" and resid  178 and name   HB) (segid "   B" and resid  182 and name  HB2) 3.354 1.406 1.406 weight 1.000 ! spec=13C, no=4625, id=4155, vol=5.070000e+04
assign (segid "   B" and resid  179 and name   HA) (segid "   B" and resid  182 and name  HB2) 3.763 1.770 1.770 weight 1.000 ! spec=13C, no=4626, id=4156, vol=2.540000e+04
assign (segid "   B" and resid  181 and name   HA) (segid "   B" and resid  182 and name  HB2) 3.866 1.869 1.869 weight 1.000 ! spec=13C, no=4628, id=4158, vol=2.160000e+04
assign (segid "   B" and resid  182 and name  HB2) (segid "   B" and resid  182 and name   HA) 3.212 1.290 1.290 weight 1.000 ! spec=13C, no=4629, id=4159, vol=6.570000e+04
assign (segid "   B" and resid  172 and name   HA) (segid "   B" and resid  182 and name  HG2) 2.556 0.816 0.816 weight 1.000 ! spec=13C, no=4634, id=4163, vol=2.590000e+05
assign (segid "   B" and resid  172 and name  HB2) (segid "   B" and resid  182 and name  HG2) 4.440 2.464 2.464 weight 1.000 ! spec=13C, no=4635, id=4164, vol=9.420000e+03
assign (segid "   B" and resid  182 and name  HG2) (segid "   B" and resid  182 and name   HA) 3.507 1.537 1.537 weight 1.000 ! spec=13C, no=4636, id=4165, vol=3.880000e+04
assign (segid "   B" and resid  182 and name  HG2) (segid "   B" and resid  182 and name  HB2) 2.166 0.587 0.587 weight 1.000 ! spec=13C, no=4637, id=4166, vol=6.980000e+05
assign (segid "   B" and resid  178 and name   HB) (segid "   B" and resid  183 and name   HN) 3.566 1.589 1.589 weight 1.000 ! spec=13C, no=4639, id=4167, vol=3.510000e+04
assign (segid "   B" and resid  179 and name   HA) (segid "   B" and resid  183 and name   HN) 3.048 1.161 1.161 weight 1.000 ! spec=13C, no=4640, id=4168, vol=9.000000e+04
assign (segid "   B" and resid  181 and name   HA) (segid "   B" and resid  183 and name   HN) 3.321 1.378 1.378 weight 1.000 ! spec=13C, no=4641, id=4169, vol=5.380000e+04
assign (segid "   B" and resid  182 and name  HG2) (segid "   B" and resid  183 and name   HN) 4.091 2.092 2.092 weight 1.000 ! spec=13C, no=4644, id=4172, vol=1.540000e+04
assign (segid "   B" and resid  184 and name   HA) (segid "   B" and resid  183 and name   HN) 3.366 1.416 1.416 weight 1.000 ! spec=13C, no=4647, id=4175, vol=4.960000e+04
assign (segid "   B" and resid  170 and name   HB) (segid "   B" and resid  183 and name   HA) 4.615 2.662 2.662 weight 1.000 ! spec=13C, no=4648, id=4176, vol=7.470000e+03
assign (segid "   B" and resid  183 and name   HA) (segid "   B" and resid  182 and name  HB2) 3.029 1.147 1.147 weight 1.000 ! spec=13C, no=4650, id=4178, vol=9.340000e+04
assign (segid "   B" and resid  183 and name  HB2) (segid "   B" and resid  183 and name   HA) 2.556 0.816 0.816 weight 1.000 ! spec=13C, no=4652, id=4179, vol=2.590000e+05
assign (segid "   B" and resid  186 and name   HA) (segid "   B" and resid  183 and name   HA) 4.417 2.438 2.438 weight 1.000 ! spec=13C, no=4654, id=4181, vol=9.720000e+03
assign (segid "   B" and resid  186 and name  HB2) (segid "   B" and resid  183 and name   HA) 3.913 1.914 1.914 weight 1.000 ! spec=13C, no=4655, id=4182, vol=2.010000e+04
assign (segid "   B" and resid  186 and name  HG2) (segid "   B" and resid  183 and name   HA) 4.846 2.936 2.936 weight 1.000 ! spec=13C, no=4656, id=4183, vol=5.570000e+03
assign (segid "   B" and resid  178 and name   HB) (segid "   B" and resid  183 and name  HB2) 2.842 1.009 1.009 weight 1.000 ! spec=13C, no=4657, id=4184, vol=1.370000e+05
assign (segid "   B" and resid  183 and name   HA) (segid "   B" and resid  183 and name  HD1) 3.461 1.497 1.497 weight 1.000 ! spec=13C, no=4660, id=4186, vol=4.200000e+04
assign (segid "   B" and resid  183 and name  HB2) (segid "   B" and resid  183 and name  HD1) 3.472 1.507 1.507 weight 1.000 ! spec=13C, no=4661, id=4187, vol=4.120000e+04
assign (segid "   B" and resid  186 and name  HB2) (segid "   B" and resid  183 and name  HD1) 4.593 2.638 2.638 weight 1.000 ! spec=13C, no=4662, id=4188, vol=7.680000e+03
assign (segid "   B" and resid  187 and name  HB2) (segid "   B" and resid  183 and name  HD1) 4.077 2.078 2.078 weight 1.000 ! spec=13C, no=4663, id=4189, vol=1.570000e+04
assign (segid "   B" and resid  187 and name  HG2) (segid "   B" and resid  183 and name  HD1) 5.715 4.083 4.083 weight 1.000 ! spec=13C, no=4664, id=4190, vol=2.070000e+03
assign (segid "   B" and resid  127 and name   HA) (segid "   B" and resid  183 and name  HE2) 2.679 0.897 0.897 weight 1.000 ! spec=13C, no=4665, id=4191, vol=1.950000e+05
assign (segid "   B" and resid  127 and name  HB2) (segid "   B" and resid  183 and name  HE2) 4.776 2.851 2.851 weight 1.000 ! spec=13C, no=4666, id=4192, vol=6.080000e+03
assign (segid "   B" and resid  130 and name   HA) (segid "   B" and resid  183 and name  HE2) 3.270 1.337 1.337 weight 1.000 ! spec=13C, no=4667, id=4193, vol=5.900000e+04
assign (segid "   B" and resid  130 and name  HB2) (segid "   B" and resid  183 and name  HE2) 4.020 2.020 2.020 weight 1.000 ! spec=13C, no=4668, id=4194, vol=1.710000e+04
assign (segid "   B" and resid  131 and name   HA) (segid "   B" and resid  183 and name  HE2) 5.040 3.176 3.176 weight 1.000 ! spec=13C, no=4669, id=4195, vol=4.400000e+03
assign (segid "   B" and resid  131 and name  HB2) (segid "   B" and resid  183 and name  HE2) 4.052 2.052 2.052 weight 1.000 ! spec=13C, no=4670, id=4196, vol=1.630000e+04
assign (segid "   B" and resid  182 and name   HA) (segid "   B" and resid  184 and name   HN) 5.451 3.714 3.714 weight 1.000 ! spec=13C, no=4673, id=4199, vol=2.750000e+03
assign (segid "   B" and resid  184 and name HD12) (segid "   B" and resid  184 and name   HN) 3.244 1.315 1.315 weight 1.000 ! spec=13C, no=4678, id=4204, vol=6.190000e+04
assign (segid "   B" and resid  184 and name   HG) (segid "   B" and resid  184 and name   HN) 2.524 0.796 0.796 weight 1.000 ! spec=13C, no=4680, id=4206, vol=2.790000e+05
assign (segid "   B" and resid  185 and name   HA) (segid "   B" and resid  184 and name   HN) 4.530 2.565 2.565 weight 1.000 ! spec=13C, no=4681, id=4207, vol=8.350000e+03
assign (segid "   B" and resid  184 and name   HA) (segid "   B" and resid  183 and name   HA) 3.185 1.268 1.268 weight 1.000 ! spec=13C, no=4682, id=4208, vol=6.910000e+04
assign (segid "   B" and resid  183 and name  HB2) (segid "   B" and resid  184 and name   HA) 2.726 0.929 0.929 weight 1.000 ! spec=13C, no=4683, id=4209, vol=1.760000e+05
assign (segid "   B" and resid  184 and name HD12) (segid "   B" and resid  184 and name   HA) 3.520 1.549 1.549 weight 1.000 ! spec=13C, no=4686, id=4211, vol=3.790000e+04
assign (segid "   B" and resid  184 and name   HA) (segid "   B" and resid  184 and name   HG) 4.012 2.012 2.012 weight 1.000 ! spec=13C, no=4688, id=4213, vol=1.730000e+04
assign (segid "   B" and resid  185 and name   HA) (segid "   B" and resid  184 and name   HA) 2.897 1.049 1.049 weight 1.000 ! spec=13C, no=4689, id=4214, vol=1.220000e+05
assign (segid "   B" and resid  187 and name   HA) (segid "   B" and resid  184 and name   HA) 3.696 1.708 1.708 weight 1.000 ! spec=13C, no=4690, id=4215, vol=2.830000e+04
assign (segid "   B" and resid  187 and name  HB2) (segid "   B" and resid  184 and name   HA) 3.259 1.328 1.328 weight 1.000 ! spec=13C, no=4691, id=4216, vol=6.020000e+04
assign (segid "   B" and resid  187 and name  HG2) (segid "   B" and resid  184 and name   HA) 4.734 2.801 2.801 weight 1.000 ! spec=13C, no=4692, id=4217, vol=6.410000e+03
assign (segid "   B" and resid  184 and name  HB2) (segid "   B" and resid  181 and name   HA) 3.240 1.312 1.312 weight 1.000 ! spec=13C, no=4693, id=4218, vol=6.240000e+04
assign (segid "   B" and resid  182 and name   HA) (segid "   B" and resid  184 and name  HB2) 3.993 1.993 1.993 weight 1.000 ! spec=13C, no=4695, id=4220, vol=1.780000e+04
assign (segid "   B" and resid  183 and name   HA) (segid "   B" and resid  184 and name  HB2) 6.360 5.056 5.056 weight 1.000 ! spec=13C, no=4696, id=4221, vol=1.090000e+03
assign (segid "   B" and resid  184 and name  HB2) (segid "   B" and resid  184 and name   HA) 3.200 1.280 1.280 weight 1.000 ! spec=13C, no=4697, id=4222, vol=6.720000e+04
assign (segid "   B" and resid  184 and name HD12) (segid "   B" and resid  184 and name  HB2) 2.684 0.900 0.900 weight 1.000 ! spec=13C, no=4700, id=4224, vol=1.930000e+05
assign (segid "   B" and resid  184 and name  HB2) (segid "   B" and resid  184 and name   HG) 2.213 0.612 0.612 weight 1.000 ! spec=13C, no=4701, id=4225, vol=6.150000e+05
assign (segid "   B" and resid  185 and name   HA) (segid "   B" and resid  184 and name  HB2) 3.165 1.252 1.252 weight 1.000 ! spec=13C, no=4702, id=4226, vol=7.180000e+04
assign (segid "   B" and resid  181 and name   HA) (segid "   B" and resid  185 and name   HN) 3.462 1.498 1.498 weight 1.000 ! spec=13C, no=4704, id=4228, vol=4.190000e+04
assign (segid "   B" and resid  183 and name   HA) (segid "   B" and resid  185 and name   HN) 3.881 1.883 1.883 weight 1.000 ! spec=13C, no=4706, id=4230, vol=2.110000e+04
assign (segid "   B" and resid  185 and name   HB) (segid "   B" and resid  185 and name   HN) 3.062 1.172 1.172 weight 1.000 ! spec=13C, no=4711, id=4235, vol=8.750000e+04
assign (segid "   B" and resid  186 and name   HA) (segid "   B" and resid  185 and name   HN) 4.840 2.929 2.929 weight 1.000 ! spec=13C, no=4712, id=4236, vol=5.610000e+03
assign (segid "   B" and resid  188 and name   HA) (segid "   B" and resid  185 and name   HA) 5.878 4.318 4.318 weight 1.000 ! spec=13C, no=4718, id=4241, vol=1.750000e+03
assign (segid "   B" and resid  188 and name  HB2) (segid "   B" and resid  185 and name   HA) 3.490 1.523 1.523 weight 1.000 ! spec=13C, no=4719, id=4242, vol=3.990000e+04
assign (segid "   B" and resid  185 and name   HB) (segid "   B" and resid  182 and name   HA) 3.707 1.718 1.718 weight 1.000 ! spec=13C, no=4720, id=4243, vol=2.780000e+04
assign (segid "   B" and resid  185 and name   HB) (segid "   B" and resid  185 and name   HA) 4.001 2.001 2.001 weight 1.000 ! spec=13C, no=4721, id=4244, vol=1.760000e+04
assign (segid "   B" and resid  186 and name   HA) (segid "   B" and resid  185 and name   HB) 3.140 1.232 1.232 weight 1.000 ! spec=13C, no=4723, id=4245, vol=7.530000e+04
assign (segid "   B" and resid  186 and name  HB2) (segid "   B" and resid  185 and name   HB) 3.206 1.285 1.285 weight 1.000 ! spec=13C, no=4724, id=4246, vol=6.640000e+04
assign (segid "   B" and resid  182 and name   HA) (segid "   B" and resid  186 and name   HN) 6.160 4.744 4.744 weight 1.000 ! spec=13C, no=4725, id=4247, vol=1.320000e+03
assign (segid "   B" and resid  187 and name   HA) (segid "   B" and resid  186 and name   HN) 4.307 2.319 2.319 weight 1.000 ! spec=13C, no=4733, id=4255, vol=1.130000e+04
assign (segid "   B" and resid  186 and name   HA) (segid "   B" and resid  185 and name   HA) 3.269 1.336 1.336 weight 1.000 ! spec=13C, no=4734, id=4256, vol=5.910000e+04
assign (segid "   B" and resid  186 and name  HB2) (segid "   B" and resid  186 and name   HA) 3.310 1.369 1.369 weight 1.000 ! spec=13C, no=4737, id=4258, vol=5.490000e+04
assign (segid "   B" and resid  189 and name  HB2) (segid "   B" and resid  186 and name   HA) 2.640 0.871 0.871 weight 1.000 ! spec=13C, no=4741, id=4262, vol=2.130000e+05
assign (segid "   B" and resid  186 and name   HA) (segid "   B" and resid  189 and name  HD2) 4.918 3.023 3.023 weight 1.000 ! spec=13C, no=4742, id=4263, vol=5.100000e+03
assign (segid "   B" and resid  189 and name  HG2) (segid "   B" and resid  186 and name   HA) 2.508 0.786 0.786 weight 1.000 ! spec=13C, no=4743, id=4264, vol=2.900000e+05
assign (segid "   B" and resid  186 and name  HB2) (segid "   B" and resid  170 and name   HA) 2.684 0.900 0.900 weight 1.000 ! spec=13C, no=4744, id=4265, vol=1.930000e+05
assign (segid "   B" and resid  170 and name   HB) (segid "   B" and resid  186 and name  HB2) 3.588 1.609 1.609 weight 1.000 ! spec=13C, no=4745, id=4266, vol=3.380000e+04
assign (segid "   B" and resid  186 and name  HE2) (segid "   B" and resid  186 and name  HB2) 2.957 1.093 1.093 weight 1.000 ! spec=13C, no=4749, id=4269, vol=1.080000e+05
assign (segid "   B" and resid  186 and name  HG2) (segid "   B" and resid  186 and name  HB2) 3.194 1.275 1.275 weight 1.000 ! spec=13C, no=4750, id=4270, vol=6.800000e+04
assign (segid "   B" and resid  186 and name  HG2) (segid "   B" and resid  170 and name   HA) 4.422 2.444 2.444 weight 1.000 ! spec=13C, no=4751, id=4271, vol=9.650000e+03
assign (segid "   B" and resid  186 and name  HG2) (segid "   B" and resid  186 and name   HA) 3.178 1.263 1.263 weight 1.000 ! spec=13C, no=4753, id=4273, vol=7.000000e+04
assign (segid "   B" and resid  186 and name  HE2) (segid "   B" and resid  186 and name  HG2) 3.160 1.249 1.249 weight 1.000 ! spec=13C, no=4755, id=4275, vol=7.240000e+04
assign (segid "   B" and resid  183 and name   HA) (segid "   B" and resid  187 and name   HN) 3.290 1.353 1.353 weight 1.000 ! spec=13C, no=4760, id=4278, vol=5.690000e+04
assign (segid "   B" and resid  186 and name  HB2) (segid "   B" and resid  187 and name   HN) 3.761 1.768 1.768 weight 1.000 ! spec=13C, no=4764, id=4282, vol=2.550000e+04
assign (segid "   B" and resid  188 and name   HA) (segid "   B" and resid  187 and name   HN) 3.472 1.507 1.507 weight 1.000 ! spec=13C, no=4769, id=4287, vol=4.120000e+04
assign (segid "   B" and resid  187 and name   HA) (segid "   B" and resid  186 and name   HA) 2.980 1.110 1.110 weight 1.000 ! spec=13C, no=4770, id=4288, vol=1.030000e+05
assign (segid "   B" and resid  186 and name  HB2) (segid "   B" and resid  187 and name   HA) 4.526 2.561 2.561 weight 1.000 ! spec=13C, no=4771, id=4289, vol=8.390000e+03
assign (segid "   B" and resid  187 and name  HE2) (segid "   B" and resid  187 and name   HA) 3.159 1.247 1.247 weight 1.000 ! spec=13C, no=4775, id=4292, vol=7.260000e+04
assign (segid "   B" and resid  188 and name   HA) (segid "   B" and resid  187 and name   HA) 4.360 2.376 2.376 weight 1.000 ! spec=13C, no=4777, id=4294, vol=1.050000e+04
assign (segid "   B" and resid  184 and name  HB2) (segid "   B" and resid  187 and name  HB2) 3.878 1.880 1.880 weight 1.000 ! spec=13C, no=4779, id=4296, vol=2.120000e+04
assign (segid "   B" and resid  184 and name HD12) (segid "   B" and resid  187 and name  HB2) 3.063 1.173 1.173 weight 1.000 ! spec=13C, no=4780, id=4297, vol=8.730000e+04
assign (segid "   B" and resid  186 and name   HA) (segid "   B" and resid  187 and name  HB2) 4.961 3.076 3.076 weight 1.000 ! spec=13C, no=4781, id=4298, vol=4.840000e+03
assign (segid "   B" and resid  187 and name  HB2) (segid "   B" and resid  187 and name   HA) 3.316 1.374 1.374 weight 1.000 ! spec=13C, no=4782, id=4299, vol=5.430000e+04
assign (segid "   B" and resid  187 and name  HB2) (segid "   B" and resid  188 and name   HA) 2.842 1.009 1.009 weight 1.000 ! spec=13C, no=4786, id=4302, vol=1.370000e+05
assign (segid "   B" and resid  186 and name   HA) (segid "   B" and resid  187 and name  HG2) 3.338 1.392 1.392 weight 1.000 ! spec=13C, no=4787, id=4303, vol=5.220000e+04
assign (segid "   B" and resid  186 and name  HB2) (segid "   B" and resid  187 and name  HG2) 3.035 1.151 1.151 weight 1.000 ! spec=13C, no=4788, id=4304, vol=9.240000e+04
assign (segid "   B" and resid  187 and name  HG2) (segid "   B" and resid  186 and name  HG2) 2.828 1.000 1.000 weight 1.000 ! spec=13C, no=4789, id=4305, vol=1.410000e+05
assign (segid "   B" and resid  187 and name  HG2) (segid "   B" and resid  187 and name   HA) 3.137 1.230 1.230 weight 1.000 ! spec=13C, no=4790, id=4306, vol=7.570000e+04
assign (segid "   B" and resid  187 and name  HG2) (segid "   B" and resid  187 and name  HB2) 3.690 1.702 1.702 weight 1.000 ! spec=13C, no=4791, id=4307, vol=2.860000e+04
assign (segid "   B" and resid  187 and name  HE2) (segid "   B" and resid  187 and name  HG2) 2.612 0.853 0.853 weight 1.000 ! spec=13C, no=4792, id=4308, vol=2.270000e+05
assign (segid "   B" and resid  187 and name  HE2) (segid "   B" and resid  187 and name  HB2) 3.025 1.144 1.144 weight 1.000 ! spec=13C, no=4795, id=4310, vol=9.420000e+04
assign (segid "   B" and resid  186 and name   HA) (segid "   B" and resid  188 and name   HN) 3.716 1.726 1.726 weight 1.000 ! spec=13C, no=4800, id=4314, vol=2.740000e+04
assign (segid "   B" and resid  186 and name  HB2) (segid "   B" and resid  188 and name   HN) 4.282 2.292 2.292 weight 1.000 ! spec=13C, no=4801, id=4315, vol=1.170000e+04
assign (segid "   B" and resid  187 and name  HG2) (segid "   B" and resid  188 and name   HN) 3.615 1.634 1.634 weight 1.000 ! spec=13C, no=4804, id=4318, vol=3.230000e+04
assign (segid "   B" and resid  189 and name   HA) (segid "   B" and resid  188 and name   HN) 7.864 7.731 7.731 weight 1.000 ! spec=13C, no=4807, id=4321, vol=3.050000e+02
assign (segid "   B" and resid  187 and name  HB2) (segid "   B" and resid  189 and name   HN) 3.245 1.316 1.316 weight 1.000 ! spec=13C, no=4815, id=4328, vol=6.180000e+04
assign (segid "   B" and resid  189 and name  HG2) (segid "   B" and resid  189 and name   HN) 5.160 3.329 3.329 weight 1.000 ! spec=13C, no=4821, id=4334, vol=3.820000e+03
assign (segid "   B" and resid  188 and name  HB2) (segid "   B" and resid  189 and name   HA) 3.869 1.871 1.871 weight 1.000 ! spec=13C, no=4823, id=4336, vol=2.150000e+04
assign (segid "   B" and resid  189 and name  HB2) (segid "   B" and resid  189 and name   HA) 2.483 0.771 0.771 weight 1.000 ! spec=13C, no=4825, id=4337, vol=3.080000e+05
assign (segid "   B" and resid  189 and name  HG2) (segid "   B" and resid  189 and name   HA) 1.985 0.492 0.492 weight 1.000 ! spec=13C, no=4827, id=4339, vol=1.180000e+06
assign (segid "   B" and resid  190 and name   HA) (segid "   B" and resid  189 and name   HA) 2.856 1.019 1.019 weight 1.000 ! spec=13C, no=4828, id=4340, vol=1.330000e+05
assign (segid "   B" and resid  188 and name   HA) (segid "   B" and resid  189 and name  HB2) 3.155 1.244 1.244 weight 1.000 ! spec=13C, no=4833, id=4345, vol=7.320000e+04
assign (segid "   B" and resid  189 and name  HB2) (segid "   B" and resid  190 and name   HA) 3.226 1.301 1.301 weight 1.000 ! spec=13C, no=4838, id=4349, vol=6.400000e+04
assign (segid "   B" and resid  186 and name  HE2) (segid "   B" and resid  189 and name  HD2) 3.923 1.923 1.923 weight 1.000 ! spec=13C, no=4839, id=4350, vol=1.980000e+04
assign (segid "   B" and resid  186 and name  HG2) (segid "   B" and resid  189 and name  HD2) 3.953 1.954 1.954 weight 1.000 ! spec=13C, no=4840, id=4351, vol=1.890000e+04
assign (segid "   B" and resid  189 and name  HD2) (segid "   B" and resid  189 and name   HA) 3.357 1.409 1.409 weight 1.000 ! spec=13C, no=4841, id=4352, vol=5.040000e+04
assign (segid "   B" and resid  189 and name  HD2) (segid "   B" and resid  189 and name  HB2) 2.628 0.863 0.863 weight 1.000 ! spec=13C, no=4842, id=4353, vol=2.190000e+05
assign (segid "   B" and resid  189 and name  HG2) (segid "   B" and resid  189 and name  HB2) 2.139 0.572 0.572 weight 1.000 ! spec=13C, no=4847, id=4357, vol=7.530000e+05
assign (segid "   B" and resid  189 and name  HG2) (segid "   B" and resid  189 and name  HD2) 5.662 4.007 4.007 weight 1.000 ! spec=13C, no=4848, id=4358, vol=2.190000e+03
assign (segid "   B" and resid  190 and name  HB2) (segid "   B" and resid  190 and name   HN) 5.612 3.936 3.936 weight 1.000 ! spec=13C, no=4854, id=4363, vol=2.310000e+03
assign (segid "   B" and resid  190 and name  HG2) (segid "   B" and resid  190 and name   HN) 2.689 0.904 0.904 weight 1.000 ! spec=13C, no=4857, id=4366, vol=1.910000e+05
assign (segid "   B" and resid  190 and name  HB2) (segid "   B" and resid  190 and name   HA) 3.134 1.228 1.228 weight 1.000 ! spec=13C, no=4860, id=4368, vol=7.610000e+04
assign (segid "   B" and resid  190 and name  HG2) (segid "   B" and resid  190 and name   HA) 2.434 0.741 0.741 weight 1.000 ! spec=13C, no=4863, id=4371, vol=3.470000e+05
assign (segid "   B" and resid  191 and name  HB2) (segid "   B" and resid  190 and name   HA) 3.039 1.154 1.154 weight 1.000 ! spec=13C, no=4865, id=4373, vol=9.160000e+04
assign (segid "   B" and resid  190 and name  HD2) (segid "   B" and resid  190 and name  HB2) 2.557 0.817 0.817 weight 1.000 ! spec=13C, no=4869, id=4376, vol=2.580000e+05
assign (segid "   B" and resid  190 and name  HG2) (segid "   B" and resid  190 and name  HB2) 1.948 0.474 0.474 weight 1.000 ! spec=13C, no=4871, id=4378, vol=1.320000e+06
assign (segid "   B" and resid  190 and name  HB2) (segid "   B" and resid  193 and name  HB2) 3.061 1.171 1.171 weight 1.000 ! spec=13C, no=4873, id=4380, vol=8.770000e+04
assign (segid "   B" and resid  190 and name  HD2) (segid "   B" and resid  190 and name   HA) 2.666 0.888 0.888 weight 1.000 ! spec=13C, no=4874, id=4381, vol=2.010000e+05
assign (segid "   B" and resid  190 and name  HG2) (segid "   B" and resid  190 and name  HD2) 1.835 0.421 0.421 weight 1.000 ! spec=13C, no=4878, id=4384, vol=1.890000e+06
assign (segid "   B" and resid  190 and name  HE2) (segid "   B" and resid  190 and name  HB2) 3.662 1.677 1.677 weight 1.000 ! spec=13C, no=4879, id=4385, vol=2.990000e+04
assign (segid "   B" and resid  190 and name  HE2) (segid "   B" and resid  190 and name  HD2) 3.139 1.232 1.232 weight 1.000 ! spec=13C, no=4880, id=4386, vol=7.540000e+04
assign (segid "   B" and resid  190 and name  HG2) (segid "   B" and resid  190 and name  HE2) 3.032 1.149 1.149 weight 1.000 ! spec=13C, no=4882, id=4387, vol=9.280000e+04
assign (segid "   B" and resid  190 and name  HG2) (segid "   B" and resid  189 and name   HA) 2.659 0.884 0.884 weight 1.000 ! spec=13C, no=4883, id=4388, vol=2.040000e+05
assign (segid "   B" and resid  190 and name  HD2) (segid "   B" and resid  191 and name   HN) 3.292 1.355 1.355 weight 1.000 ! spec=13C, no=4891, id=4395, vol=5.670000e+04
assign (segid "   B" and resid  190 and name  HG2) (segid "   B" and resid  191 and name   HN) 2.410 0.726 0.726 weight 1.000 ! spec=13C, no=4892, id=4396, vol=3.680000e+05
assign (segid "   B" and resid  191 and name   HA) (segid "   B" and resid  191 and name   HN) 2.439 0.743 0.743 weight 1.000 ! spec=13C, no=4893, id=4397, vol=3.430000e+05
assign (segid "   B" and resid  191 and name  HE2) (segid "   B" and resid  191 and name   HN) 4.448 2.473 2.473 weight 1.000 ! spec=13C, no=4895, id=4399, vol=9.320000e+03
assign (segid "   B" and resid  192 and name   HA) (segid "   B" and resid  191 and name   HN) 3.414 1.457 1.457 weight 1.000 ! spec=13C, no=4897, id=4401, vol=4.560000e+04
assign (segid "   B" and resid  192 and name  HB2) (segid "   B" and resid  191 and name   HN) 3.416 1.459 1.459 weight 1.000 ! spec=13C, no=4898, id=4402, vol=4.540000e+04
assign (segid "   B" and resid  191 and name   HA) (segid "   B" and resid  190 and name  HB2) 2.966 1.100 1.100 weight 1.000 ! spec=13C, no=4901, id=4405, vol=1.060000e+05
assign (segid "   B" and resid  191 and name  HB2) (segid "   B" and resid  191 and name   HA) 2.787 0.971 0.971 weight 1.000 ! spec=13C, no=4903, id=4406, vol=1.540000e+05
assign (segid "   B" and resid  196 and name  HB2) (segid "   B" and resid  191 and name   HA) 4.612 2.658 2.658 weight 1.000 ! spec=13C, no=4907, id=4410, vol=7.500000e+03
assign (segid "   B" and resid  191 and name  HG2) (segid "   B" and resid  191 and name  HB2) 2.597 0.843 0.843 weight 1.000 ! spec=13C, no=4911, id=4413, vol=2.350000e+05
assign (segid "   B" and resid  191 and name  HG2) (segid "   B" and resid  191 and name   HA) 3.164 1.251 1.251 weight 1.000 ! spec=13C, no=4914, id=4416, vol=7.190000e+04
assign (segid "   B" and resid  191 and name  HE2) (segid "   B" and resid  191 and name  HG2) 2.530 0.800 0.800 weight 1.000 ! spec=13C, no=4921, id=4421, vol=2.750000e+05
assign (segid "   B" and resid  192 and name   HA) (segid "   B" and resid  191 and name  HE2) 3.631 1.648 1.648 weight 1.000 ! spec=13C, no=4922, id=4422, vol=3.150000e+04
assign (segid "   B" and resid  192 and name  HB2) (segid "   B" and resid  191 and name  HE2) 3.089 1.193 1.193 weight 1.000 ! spec=13C, no=4923, id=4423, vol=8.300000e+04
assign (segid "   B" and resid  190 and name   HA) (segid "   B" and resid  192 and name   HN) 2.897 1.049 1.049 weight 1.000 ! spec=13C, no=4926, id=4426, vol=1.220000e+05
assign (segid "   B" and resid  191 and name   HA) (segid "   B" and resid  192 and name   HN) 2.391 0.715 0.715 weight 1.000 ! spec=13C, no=4928, id=4428, vol=3.860000e+05
assign (segid "   B" and resid  193 and name  HB2) (segid "   B" and resid  192 and name   HN) 3.730 1.739 1.739 weight 1.000 ! spec=13C, no=4938, id=4438, vol=2.680000e+04
assign (segid "   B" and resid  192 and name   HA) (segid "   B" and resid  191 and name  HB2) 2.787 0.971 0.971 weight 1.000 ! spec=13C, no=4940, id=4440, vol=1.540000e+05
assign (segid "   B" and resid  196 and name  HB2) (segid "   B" and resid  192 and name   HA) 4.612 2.658 2.658 weight 1.000 ! spec=13C, no=4947, id=4446, vol=7.500000e+03
assign (segid "   B" and resid  192 and name  HB2) (segid "   B" and resid  192 and name   HA) 2.966 1.100 1.100 weight 1.000 ! spec=13C, no=4950, id=4449, vol=1.060000e+05
assign (segid "   B" and resid  192 and name  HD2) (segid "   B" and resid  192 and name  HB2) 2.340 0.685 0.685 weight 1.000 ! spec=13C, no=4952, id=4450, vol=4.390000e+05
assign (segid "   B" and resid  192 and name  HE2) (segid "   B" and resid  192 and name  HB2) 2.739 0.938 0.938 weight 1.000 ! spec=13C, no=4953, id=4451, vol=1.710000e+05
assign (segid "   B" and resid  192 and name  HG2) (segid "   B" and resid  192 and name  HB2) 2.601 0.846 0.846 weight 1.000 ! spec=13C, no=4954, id=4452, vol=2.330000e+05
assign (segid "   B" and resid  192 and name  HD2) (segid "   B" and resid  192 and name   HA) 2.715 0.922 0.922 weight 1.000 ! spec=13C, no=4956, id=4454, vol=1.800000e+05
assign (segid "   B" and resid  192 and name  HG2) (segid "   B" and resid  192 and name  HD2) 2.277 0.648 0.648 weight 1.000 ! spec=13C, no=4960, id=4457, vol=5.180000e+05
assign (segid "   B" and resid  191 and name  HE2) (segid "   B" and resid  192 and name  HE2) 4.403 2.423 2.423 weight 1.000 ! spec=13C, no=4961, id=4458, vol=9.900000e+03
assign (segid "   B" and resid  192 and name  HE2) (segid "   B" and resid  192 and name  HD2) 2.784 0.969 0.969 weight 1.000 ! spec=13C, no=4963, id=4460, vol=1.550000e+05
assign (segid "   B" and resid  192 and name  HG2) (segid "   B" and resid  192 and name  HE2) 3.201 1.281 1.281 weight 1.000 ! spec=13C, no=4965, id=4461, vol=6.710000e+04
assign (segid "   B" and resid  192 and name  HG2) (segid "   B" and resid  191 and name  HE2) 2.961 1.096 1.096 weight 1.000 ! spec=13C, no=4968, id=4464, vol=1.070000e+05
assign (segid "   B" and resid  192 and name  HG2) (segid "   B" and resid  192 and name   HA) 4.500 2.531 2.531 weight 1.000 ! spec=13C, no=4970, id=4466, vol=8.690000e+03
assign (segid "   B" and resid  192 and name  HG2) (segid "   B" and resid  261 and name   HA) 2.790 0.973 0.973 weight 1.000 ! spec=13C, no=4975, id=4470, vol=1.530000e+05
assign (segid "   B" and resid  262 and name   HA) (segid "   B" and resid  192 and name  HG2) 3.857 1.860 1.860 weight 1.000 ! spec=13C, no=4976, id=4471, vol=2.190000e+04
assign (segid "   B" and resid  192 and name  HB2) (segid "   B" and resid  193 and name   HN) 3.794 1.799 1.799 weight 1.000 ! spec=13C, no=4981, id=4476, vol=2.420000e+04
assign (segid "   B" and resid  192 and name  HG2) (segid "   B" and resid  193 and name   HN) 3.036 1.152 1.152 weight 1.000 ! spec=13C, no=4982, id=4477, vol=9.220000e+04
assign (segid "   B" and resid  193 and name   HA) (segid "   B" and resid  192 and name   HA) 4.976 3.096 3.096 weight 1.000 ! spec=13C, no=4987, id=4482, vol=4.750000e+03
assign (segid "   B" and resid  193 and name   HA) (segid "   B" and resid  192 and name  HB2) 3.727 1.737 1.737 weight 1.000 ! spec=13C, no=4988, id=4483, vol=2.690000e+04
assign (segid "   B" and resid  193 and name  HB2) (segid "   B" and resid  193 and name   HA) 2.547 0.811 0.811 weight 1.000 ! spec=13C, no=4990, id=4484, vol=2.640000e+05
assign (segid "   B" and resid  193 and name   HA) (segid "   B" and resid  194 and name   HB) 2.852 1.017 1.017 weight 1.000 ! spec=13C, no=4992, id=4486, vol=1.340000e+05
assign (segid "   B" and resid  193 and name  HB2) (segid "   B" and resid  194 and name   HA) 3.247 1.318 1.318 weight 1.000 ! spec=13C, no=4995, id=4488, vol=6.160000e+04
assign (segid "   B" and resid  193 and name  HB2) (segid "   B" and resid  194 and name   HB) 3.091 1.194 1.194 weight 1.000 ! spec=13C, no=4996, id=4489, vol=8.270000e+04
assign (segid "   B" and resid  195 and name   HA) (segid "   B" and resid  193 and name  HB2) 4.381 2.399 2.399 weight 1.000 ! spec=13C, no=4997, id=4490, vol=1.020000e+04
assign (segid "   B" and resid  193 and name   HA) (segid "   B" and resid  194 and name   HN) 2.543 0.808 0.808 weight 1.000 ! spec=13C, no=4999, id=4492, vol=2.670000e+05
assign (segid "   B" and resid  193 and name  HB2) (segid "   B" and resid  194 and name   HN) 2.980 1.110 1.110 weight 1.000 ! spec=13C, no=5000, id=4493, vol=1.030000e+05
assign (segid "   B" and resid  194 and name   HB) (segid "   B" and resid  194 and name   HA) 3.149 1.239 1.239 weight 1.000 ! spec=13C, no=5006, id=4498, vol=7.400000e+04
assign (segid "   B" and resid  197 and name  HG2) (segid "   B" and resid  194 and name   HA) 3.547 1.573 1.573 weight 1.000 ! spec=13C, no=5010, id=4502, vol=3.620000e+04
assign (segid "   B" and resid  193 and name   HA) (segid "   B" and resid  195 and name   HN) 2.539 0.806 0.806 weight 1.000 ! spec=13C, no=5014, id=4505, vol=2.690000e+05
assign (segid "   B" and resid  193 and name  HB2) (segid "   B" and resid  195 and name   HN) 2.499 0.781 0.781 weight 1.000 ! spec=13C, no=5015, id=4506, vol=2.960000e+05
assign (segid "   B" and resid  195 and name   HA) (segid "   B" and resid  195 and name   HN) 2.539 0.806 0.806 weight 1.000 ! spec=13C, no=5018, id=4509, vol=2.690000e+05
assign (segid "   B" and resid  196 and name   HA) (segid "   B" and resid  195 and name   HN) 2.772 0.961 0.961 weight 1.000 ! spec=13C, no=5020, id=4511, vol=1.590000e+05
assign (segid "   B" and resid  195 and name   HA) (segid "   B" and resid  194 and name   HA) 2.885 1.041 1.041 weight 1.000 ! spec=13C, no=5021, id=4512, vol=1.250000e+05
assign (segid "   B" and resid  195 and name  HB2) (segid "   B" and resid  195 and name   HA) 3.229 1.304 1.304 weight 1.000 ! spec=13C, no=5024, id=4514, vol=6.360000e+04
assign (segid "   B" and resid  196 and name   HA) (segid "   B" and resid  195 and name   HA) 3.274 1.340 1.340 weight 1.000 ! spec=13C, no=5025, id=4515, vol=5.860000e+04
assign (segid "   B" and resid  196 and name  HB2) (segid "   B" and resid  195 and name  HB2) 3.414 1.457 1.457 weight 1.000 ! spec=13C, no=5030, id=4519, vol=4.560000e+04
assign (segid "   B" and resid  195 and name   HA) (segid "   B" and resid  196 and name   HN) 6.581 5.414 5.414 weight 1.000 ! spec=13C, no=5034, id=4523, vol=8.880000e+02
assign (segid "   B" and resid  196 and name   HA) (segid "   B" and resid  196 and name   HN) 2.885 1.041 1.041 weight 1.000 ! spec=13C, no=5036, id=4525, vol=1.250000e+05
assign (segid "   B" and resid  196 and name   HA) (segid "   B" and resid  195 and name  HB2) 3.536 1.563 1.563 weight 1.000 ! spec=13C, no=5040, id=4529, vol=3.690000e+04
assign (segid "   B" and resid  199 and name   HA) (segid "   B" and resid  196 and name   HA) 3.640 1.657 1.657 weight 1.000 ! spec=13C, no=5044, id=4532, vol=3.100000e+04
assign (segid "   B" and resid  199 and name  HB2) (segid "   B" and resid  196 and name   HA) 2.316 0.670 0.670 weight 1.000 ! spec=13C, no=5045, id=4533, vol=4.680000e+05
assign (segid "   B" and resid  199 and name  HG2) (segid "   B" and resid  196 and name   HA) 3.543 1.569 1.569 weight 1.000 ! spec=13C, no=5046, id=4534, vol=3.650000e+04
assign (segid "   B" and resid  193 and name   HA) (segid "   B" and resid  196 and name  HB2) 2.673 0.893 0.893 weight 1.000 ! spec=13C, no=5049, id=4537, vol=1.980000e+05
assign (segid "   B" and resid  193 and name  HB2) (segid "   B" and resid  196 and name  HB2) 3.852 1.854 1.854 weight 1.000 ! spec=13C, no=5050, id=4538, vol=2.210000e+04
assign (segid "   B" and resid  196 and name  HB2) (segid "   B" and resid  196 and name   HA) 2.952 1.089 1.089 weight 1.000 ! spec=13C, no=5052, id=4540, vol=1.090000e+05
assign (segid "   B" and resid  197 and name   HA) (segid "   B" and resid  196 and name  HB2) 2.466 0.760 0.760 weight 1.000 ! spec=13C, no=5054, id=4541, vol=3.210000e+05
assign (segid "   B" and resid  197 and name  HG2) (segid "   B" and resid  196 and name  HB2) 3.378 1.426 1.426 weight 1.000 ! spec=13C, no=5055, id=4542, vol=4.860000e+04
assign (segid "   B" and resid  193 and name   HA) (segid "   B" and resid  197 and name   HN) 2.666 0.888 0.888 weight 1.000 ! spec=13C, no=5057, id=4544, vol=2.010000e+05
assign (segid "   B" and resid  194 and name   HB) (segid "   B" and resid  197 and name   HN) 3.536 1.563 1.563 weight 1.000 ! spec=13C, no=5059, id=4546, vol=3.690000e+04
assign (segid "   B" and resid  195 and name   HA) (segid "   B" and resid  197 and name   HN) 2.666 0.888 0.888 weight 1.000 ! spec=13C, no=5060, id=4547, vol=2.010000e+05
assign (segid "   B" and resid  197 and name   HA) (segid "   B" and resid  196 and name   HA) 3.007 1.130 1.130 weight 1.000 ! spec=13C, no=5066, id=4553, vol=9.760000e+04
assign (segid "   B" and resid  257 and name   HB) (segid "   B" and resid  197 and name   HA) 3.946 1.947 1.947 weight 1.000 ! spec=13C, no=5072, id=4558, vol=1.910000e+04
assign (segid "   B" and resid  261 and name   HB) (segid "   B" and resid  197 and name   HA) 3.698 1.710 1.710 weight 1.000 ! spec=13C, no=5073, id=4559, vol=2.820000e+04
assign (segid "   B" and resid  197 and name  HB2) (segid "   B" and resid  194 and name   HA) 2.961 1.096 1.096 weight 1.000 ! spec=13C, no=5074, id=4560, vol=1.070000e+05
assign (segid "   B" and resid  194 and name   HB) (segid "   B" and resid  197 and name  HB2) 3.766 1.773 1.773 weight 1.000 ! spec=13C, no=5075, id=4561, vol=2.530000e+04
assign (segid "   B" and resid  197 and name  HB2) (segid "   B" and resid  197 and name   HA) 2.432 0.739 0.739 weight 1.000 ! spec=13C, no=5078, id=4564, vol=3.490000e+05
assign (segid "   B" and resid  197 and name  HG2) (segid "   B" and resid  197 and name   HA) 3.562 1.586 1.586 weight 1.000 ! spec=13C, no=5081, id=4566, vol=3.530000e+04
assign (segid "   B" and resid  197 and name  HG2) (segid "   B" and resid  197 and name  HB2) 2.014 0.507 0.507 weight 1.000 ! spec=13C, no=5082, id=4567, vol=1.080000e+06
assign (segid "   B" and resid  258 and name   HA) (segid "   B" and resid  197 and name  HG2) 3.818 1.822 1.822 weight 1.000 ! spec=13C, no=5084, id=4568, vol=2.330000e+04
assign (segid "   B" and resid  261 and name   HB) (segid "   B" and resid  197 and name  HG2) 3.263 1.331 1.331 weight 1.000 ! spec=13C, no=5085, id=4569, vol=5.980000e+04
assign (segid "   B" and resid  195 and name   HA) (segid "   B" and resid  198 and name   HN) 2.539 0.806 0.806 weight 1.000 ! spec=13C, no=5087, id=4571, vol=2.690000e+05
assign (segid "   B" and resid  196 and name   HA) (segid "   B" and resid  198 and name   HN) 2.772 0.961 0.961 weight 1.000 ! spec=13C, no=5088, id=4572, vol=1.590000e+05
assign (segid "   B" and resid  197 and name  HB2) (segid "   B" and resid  198 and name   HN) 3.248 1.318 1.318 weight 1.000 ! spec=13C, no=5090, id=4574, vol=6.150000e+04
assign (segid "   B" and resid  199 and name   HA) (segid "   B" and resid  198 and name   HN) 3.619 1.637 1.637 weight 1.000 ! spec=13C, no=5092, id=4576, vol=3.210000e+04
assign (segid "   B" and resid  196 and name   HA) (segid "   B" and resid  199 and name   HN) 3.640 1.657 1.657 weight 1.000 ! spec=13C, no=5094, id=4578, vol=3.100000e+04
assign (segid "   B" and resid  199 and name   HA) (segid "   B" and resid  199 and name   HN) 3.261 1.329 1.329 weight 1.000 ! spec=13C, no=5096, id=4580, vol=6.000000e+04
assign (segid "   B" and resid  199 and name  HB2) (segid "   B" and resid  199 and name   HN) 2.487 0.773 0.773 weight 1.000 ! spec=13C, no=5097, id=4581, vol=3.050000e+05
assign (segid "   B" and resid  199 and name  HG2) (segid "   B" and resid  199 and name   HN) 3.734 1.743 1.743 weight 1.000 ! spec=13C, no=5098, id=4582, vol=2.660000e+04
assign (segid "   B" and resid  200 and name   HA) (segid "   B" and resid  199 and name   HN) 3.204 1.283 1.283 weight 1.000 ! spec=13C, no=5099, id=4583, vol=6.670000e+04
assign (segid "   B" and resid  200 and name   HA) (segid "   B" and resid  199 and name   HA) 2.901 1.052 1.052 weight 1.000 ! spec=13C, no=5103, id=4586, vol=1.210000e+05
assign (segid "   B" and resid  202 and name  HB2) (segid "   B" and resid  199 and name   HA) 3.744 1.752 1.752 weight 1.000 ! spec=13C, no=5105, id=4588, vol=2.620000e+04
assign (segid "   B" and resid  202 and name  HG2) (segid "   B" and resid  199 and name   HA) 4.161 2.164 2.164 weight 1.000 ! spec=13C, no=5106, id=4589, vol=1.390000e+04
assign (segid "   B" and resid  199 and name  HB2) (segid "   B" and resid  196 and name  HB2) 4.052 2.052 2.052 weight 1.000 ! spec=13C, no=5108, id=4591, vol=1.630000e+04
assign (segid "   B" and resid  199 and name  HB2) (segid "   B" and resid  199 and name   HA) 3.180 1.264 1.264 weight 1.000 ! spec=13C, no=5109, id=4592, vol=6.980000e+04
assign (segid "   B" and resid  200 and name   HA) (segid "   B" and resid  199 and name  HB2) 3.588 1.609 1.609 weight 1.000 ! spec=13C, no=5112, id=4594, vol=3.380000e+04
assign (segid "   B" and resid  199 and name  HG2) (segid "   B" and resid  199 and name   HA) 3.457 1.493 1.493 weight 1.000 ! spec=13C, no=5113, id=4595, vol=4.230000e+04
assign (segid "   B" and resid  199 and name  HG2) (segid "   B" and resid  199 and name  HB2) 2.077 0.539 0.539 weight 1.000 ! spec=13C, no=5114, id=4596, vol=8.980000e+05
assign (segid "   B" and resid  196 and name   HA) (segid "   B" and resid  200 and name   HN) 2.763 0.955 0.955 weight 1.000 ! spec=13C, no=5116, id=4597, vol=1.620000e+05
assign (segid "   B" and resid  199 and name   HA) (segid "   B" and resid  200 and name   HN) 4.202 2.207 2.207 weight 1.000 ! spec=13C, no=5118, id=4599, vol=1.310000e+04
assign (segid "   B" and resid  199 and name  HB2) (segid "   B" and resid  200 and name   HN) 2.060 0.530 0.530 weight 1.000 ! spec=13C, no=5119, id=4600, vol=9.450000e+05
assign (segid "   B" and resid  199 and name  HG2) (segid "   B" and resid  200 and name   HN) 4.040 2.040 2.040 weight 1.000 ! spec=13C, no=5120, id=4601, vol=1.660000e+04
assign (segid "   B" and resid  201 and name   HA) (segid "   B" and resid  200 and name   HN) 3.213 1.290 1.290 weight 1.000 ! spec=13C, no=5123, id=4604, vol=6.560000e+04
assign (segid "   B" and resid  200 and name   HB) (segid "   B" and resid  200 and name   HA) 3.986 1.986 1.986 weight 1.000 ! spec=13C, no=5127, id=4607, vol=1.800000e+04
assign (segid "   B" and resid  203 and name   HA) (segid "   B" and resid  200 and name   HA) 4.264 2.273 2.273 weight 1.000 ! spec=13C, no=5129, id=4609, vol=1.200000e+04
assign (segid "   B" and resid  203 and name  HB2) (segid "   B" and resid  200 and name   HA) 3.055 1.167 1.167 weight 1.000 ! spec=13C, no=5130, id=4610, vol=8.870000e+04
assign (segid "   B" and resid  200 and name   HB) (segid "   B" and resid  197 and name   HA) 2.532 0.801 0.801 weight 1.000 ! spec=13C, no=5131, id=4611, vol=2.740000e+05
assign (segid "   B" and resid  197 and name   HA) (segid "   B" and resid  201 and name   HN) 1.966 0.483 0.483 weight 1.000 ! spec=13C, no=5138, id=4617, vol=1.250000e+06
assign (segid "   B" and resid  199 and name   HA) (segid "   B" and resid  201 and name   HN) 4.247 2.254 2.254 weight 1.000 ! spec=13C, no=5139, id=4618, vol=1.230000e+04
assign (segid "   B" and resid  201 and name  HB2) (segid "   B" and resid  201 and name   HN) 2.030 0.515 0.515 weight 1.000 ! spec=13C, no=5143, id=4622, vol=1.030000e+06
assign (segid "   B" and resid  201 and name  HD2) (segid "   B" and resid  201 and name   HN) 2.443 0.746 0.746 weight 1.000 ! spec=13C, no=5144, id=4623, vol=3.390000e+05
assign (segid "   B" and resid  201 and name  HG2) (segid "   B" and resid  201 and name   HN) 2.675 0.894 0.894 weight 1.000 ! spec=13C, no=5145, id=4624, vol=1.970000e+05
assign (segid "   B" and resid  202 and name   HA) (segid "   B" and resid  201 and name   HN) 4.044 2.044 2.044 weight 1.000 ! spec=13C, no=5146, id=4625, vol=1.650000e+04
assign (segid "   B" and resid  257 and name   HB) (segid "   B" and resid  201 and name   HN) 2.845 1.012 1.012 weight 1.000 ! spec=13C, no=5147, id=4626, vol=1.360000e+05
assign (segid "   B" and resid  201 and name   HA) (segid "   B" and resid  200 and name   HA) 3.202 1.281 1.281 weight 1.000 ! spec=13C, no=5148, id=4627, vol=6.700000e+04
assign (segid "   B" and resid  201 and name   HA) (segid "   B" and resid  200 and name   HB) 4.141 2.144 2.144 weight 1.000 ! spec=13C, no=5149, id=4628, vol=1.430000e+04
assign (segid "   B" and resid  201 and name  HB2) (segid "   B" and resid  201 and name   HA) 2.948 1.086 1.086 weight 1.000 ! spec=13C, no=5151, id=4629, vol=1.100000e+05
assign (segid "   B" and resid  201 and name  HD2) (segid "   B" and resid  201 and name   HA) 2.835 1.005 1.005 weight 1.000 ! spec=13C, no=5152, id=4630, vol=1.390000e+05
assign (segid "   B" and resid  201 and name  HG2) (segid "   B" and resid  201 and name   HA) 3.265 1.332 1.332 weight 1.000 ! spec=13C, no=5153, id=4631, vol=5.960000e+04
assign (segid "   B" and resid  202 and name   HA) (segid "   B" and resid  201 and name   HA) 3.123 1.219 1.219 weight 1.000 ! spec=13C, no=5154, id=4632, vol=7.770000e+04
assign (segid "   B" and resid  204 and name   HA) (segid "   B" and resid  201 and name   HA) 3.826 1.830 1.830 weight 1.000 ! spec=13C, no=5155, id=4633, vol=2.300000e+04
assign (segid "   B" and resid  257 and name   HB) (segid "   B" and resid  201 and name   HA) 3.982 1.982 1.982 weight 1.000 ! spec=13C, no=5157, id=4635, vol=1.810000e+04
assign (segid "   B" and resid  200 and name   HA) (segid "   B" and resid  201 and name  HB2) 3.588 1.609 1.609 weight 1.000 ! spec=13C, no=5158, id=4636, vol=3.380000e+04
assign (segid "   B" and resid  257 and name   HB) (segid "   B" and resid  201 and name  HB2) 2.543 0.808 0.808 weight 1.000 ! spec=13C, no=5163, id=4640, vol=2.670000e+05
assign (segid "   B" and resid  201 and name  HD2) (segid "   B" and resid  201 and name  HB2) 2.815 0.991 0.991 weight 1.000 ! spec=13C, no=5165, id=4642, vol=1.450000e+05
assign (segid "   B" and resid  201 and name  HG2) (segid "   B" and resid  201 and name  HB2) 2.207 0.609 0.609 weight 1.000 ! spec=13C, no=5169, id=4645, vol=6.240000e+05
assign (segid "   B" and resid  201 and name  HG2) (segid "   B" and resid  201 and name  HD2) 1.584 0.314 0.314 weight 1.000 ! spec=13C, no=5170, id=4646, vol=4.560000e+06
assign (segid "   B" and resid  199 and name   HA) (segid "   B" and resid  202 and name   HN) 4.444 2.468 2.468 weight 1.000 ! spec=13C, no=5174, id=4649, vol=9.370000e+03
assign (segid "   B" and resid  200 and name   HA) (segid "   B" and resid  202 and name   HN) 4.855 2.946 2.946 weight 1.000 ! spec=13C, no=5175, id=4650, vol=5.510000e+03
assign (segid "   B" and resid  201 and name  HB2) (segid "   B" and resid  202 and name   HN) 2.211 0.611 0.611 weight 1.000 ! spec=13C, no=5177, id=4652, vol=6.170000e+05
assign (segid "   B" and resid  202 and name  HG2) (segid "   B" and resid  202 and name   HN) 4.908 3.011 3.011 weight 1.000 ! spec=13C, no=5181, id=4656, vol=5.160000e+03
assign (segid "   B" and resid  203 and name   HA) (segid "   B" and resid  202 and name   HN) 3.687 1.700 1.700 weight 1.000 ! spec=13C, no=5182, id=4657, vol=2.870000e+04
assign (segid "   B" and resid  202 and name  HG2) (segid "   B" and resid  202 and name   HA) 3.807 1.812 1.812 weight 1.000 ! spec=13C, no=5187, id=4661, vol=2.370000e+04
assign (segid "   B" and resid  205 and name  HB2) (segid "   B" and resid  202 and name   HA) 2.679 0.897 0.897 weight 1.000 ! spec=13C, no=5190, id=4664, vol=1.950000e+05
assign (segid "   B" and resid  202 and name   HA) (segid "   B" and resid  205 and name  HG2) 2.736 0.936 0.936 weight 1.000 ! spec=13C, no=5191, id=4665, vol=1.720000e+05
assign (segid "   B" and resid  200 and name   HA) (segid "   B" and resid  202 and name  HB2) 3.744 1.752 1.752 weight 1.000 ! spec=13C, no=5195, id=4669, vol=2.620000e+04
assign (segid "   B" and resid  201 and name   HA) (segid "   B" and resid  202 and name  HB2) 3.926 1.927 1.927 weight 1.000 ! spec=13C, no=5196, id=4670, vol=1.970000e+04
assign (segid "   B" and resid  202 and name  HB2) (segid "   B" and resid  202 and name   HA) 3.191 1.272 1.272 weight 1.000 ! spec=13C, no=5197, id=4671, vol=6.840000e+04
assign (segid "   B" and resid  203 and name   HA) (segid "   B" and resid  202 and name  HB2) 3.338 1.392 1.392 weight 1.000 ! spec=13C, no=5200, id=4673, vol=5.220000e+04
assign (segid "   B" and resid  201 and name   HA) (segid "   B" and resid  202 and name  HG2) 3.681 1.694 1.694 weight 1.000 ! spec=13C, no=5202, id=4675, vol=2.900000e+04
assign (segid "   B" and resid  202 and name  HG2) (segid "   B" and resid  202 and name  HB2) 2.236 0.625 0.625 weight 1.000 ! spec=13C, no=5205, id=4678, vol=5.770000e+05
assign (segid "   B" and resid  200 and name   HB) (segid "   B" and resid  203 and name   HN) 4.073 2.074 2.074 weight 1.000 ! spec=13C, no=5209, id=4681, vol=1.580000e+04
assign (segid "   B" and resid  202 and name  HG2) (segid "   B" and resid  203 and name   HN) 3.556 1.580 1.580 weight 1.000 ! spec=13C, no=5213, id=4685, vol=3.570000e+04
assign (segid "   B" and resid  203 and name  HB2) (segid "   B" and resid  203 and name   HN) 2.784 0.969 0.969 weight 1.000 ! spec=13C, no=5215, id=4687, vol=1.550000e+05
assign (segid "   B" and resid  204 and name   HA) (segid "   B" and resid  203 and name   HN) 3.390 1.437 1.437 weight 1.000 ! spec=13C, no=5216, id=4688, vol=4.750000e+04
assign (segid "   B" and resid  203 and name   HA) (segid "   B" and resid  202 and name   HA) 2.874 1.033 1.033 weight 1.000 ! spec=13C, no=5217, id=4689, vol=1.280000e+05
assign (segid "   B" and resid  203 and name  HB2) (segid "   B" and resid  203 and name   HA) 2.926 1.070 1.070 weight 1.000 ! spec=13C, no=5220, id=4691, vol=1.150000e+05
assign (segid "   B" and resid  204 and name   HA) (segid "   B" and resid  203 and name   HA) 3.167 1.254 1.254 weight 1.000 ! spec=13C, no=5221, id=4692, vol=7.150000e+04
assign (segid "   B" and resid  206 and name   HB) (segid "   B" and resid  203 and name   HA) 2.966 1.100 1.100 weight 1.000 ! spec=13C, no=5222, id=4693, vol=1.060000e+05
assign (segid "   B" and resid  200 and name   HA) (segid "   B" and resid  204 and name   HN) 3.549 1.575 1.575 weight 1.000 ! spec=13C, no=5223, id=4694, vol=3.610000e+04
assign (segid "   B" and resid  201 and name   HA) (segid "   B" and resid  204 and name   HN) 3.794 1.799 1.799 weight 1.000 ! spec=13C, no=5224, id=4695, vol=2.420000e+04
assign (segid "   B" and resid  203 and name  HB2) (segid "   B" and resid  204 and name   HN) 4.591 2.635 2.635 weight 1.000 ! spec=13C, no=5227, id=4698, vol=7.700000e+03
assign (segid "   B" and resid  205 and name   HA) (segid "   B" and resid  204 and name   HN) 3.109 1.208 1.208 weight 1.000 ! spec=13C, no=5230, id=4701, vol=7.990000e+04
assign (segid "   B" and resid  203 and name  HB2) (segid "   B" and resid  204 and name   HA) 5.829 4.247 4.247 weight 1.000 ! spec=13C, no=5232, id=4703, vol=1.840000e+03
assign (segid "   B" and resid  207 and name  HB2) (segid "   B" and resid  204 and name   HA) 2.488 0.774 0.774 weight 1.000 ! spec=13C, no=5236, id=4706, vol=3.040000e+05
assign (segid "   B" and resid  202 and name   HA) (segid "   B" and resid  204 and name  HB2) 4.805 2.886 2.886 weight 1.000 ! spec=13C, no=5240, id=4710, vol=5.860000e+03
assign (segid "   B" and resid  203 and name   HA) (segid "   B" and resid  204 and name  HB2) 3.493 1.525 1.525 weight 1.000 ! spec=13C, no=5241, id=4711, vol=3.970000e+04
assign (segid "   B" and resid  204 and name  HB2) (segid "   B" and resid  204 and name   HA) 3.073 1.181 1.181 weight 1.000 ! spec=13C, no=5242, id=4712, vol=8.560000e+04
assign (segid "   B" and resid  201 and name   HA) (segid "   B" and resid  204 and name  HD1) 3.433 1.473 1.473 weight 1.000 ! spec=13C, no=5247, id=4716, vol=4.410000e+04
assign (segid "   B" and resid  204 and name   HA) (segid "   B" and resid  204 and name  HD1) 3.533 1.560 1.560 weight 1.000 ! spec=13C, no=5249, id=4718, vol=3.710000e+04
assign (segid "   B" and resid  204 and name  HB2) (segid "   B" and resid  204 and name  HD1) 3.594 1.614 1.614 weight 1.000 ! spec=13C, no=5250, id=4719, vol=3.350000e+04
assign (segid "   B" and resid  253 and name  HB2) (segid "   B" and resid  204 and name  HD1) 3.457 1.493 1.493 weight 1.000 ! spec=13C, no=5251, id=4720, vol=4.230000e+04
assign (segid "   B" and resid  257 and name   HA) (segid "   B" and resid  204 and name  HD1) 6.017 4.526 4.526 weight 1.000 ! spec=13C, no=5252, id=4721, vol=1.520000e+03
assign (segid "   B" and resid  257 and name   HB) (segid "   B" and resid  204 and name  HD1) 7.218 6.513 6.513 weight 1.000 ! spec=13C, no=5253, id=4722, vol=5.100000e+02
assign (segid "   B" and resid  204 and name  HB2) (segid "   B" and resid  204 and name  HE2) 3.373 1.422 1.422 weight 1.000 ! spec=13C, no=5254, id=4723, vol=4.900000e+04
assign (segid "   B" and resid  220 and name HD12) (segid "   B" and resid  204 and name  HE2) 4.044 2.044 2.044 weight 1.000 ! spec=13C, no=5256, id=4725, vol=1.650000e+04
assign (segid "   B" and resid  224 and name  HE2) (segid "   B" and resid  204 and name  HE2) 5.214 3.398 3.398 weight 1.000 ! spec=13C, no=5258, id=4727, vol=3.590000e+03
assign (segid "   B" and resid  253 and name  HB2) (segid "   B" and resid  204 and name  HE2) 4.651 2.704 2.704 weight 1.000 ! spec=13C, no=5259, id=4728, vol=7.130000e+03
assign (segid "   B" and resid  203 and name   HA) (segid "   B" and resid  205 and name   HN) 3.612 1.631 1.631 weight 1.000 ! spec=13C, no=5262, id=4731, vol=3.250000e+04
assign (segid "   B" and resid  204 and name   HA) (segid "   B" and resid  205 and name   HN) 3.390 1.437 1.437 weight 1.000 ! spec=13C, no=5263, id=4732, vol=4.750000e+04
assign (segid "   B" and resid  204 and name  HB2) (segid "   B" and resid  205 and name   HN) 3.960 1.960 1.960 weight 1.000 ! spec=13C, no=5264, id=4733, vol=1.870000e+04
assign (segid "   B" and resid  205 and name  HB2) (segid "   B" and resid  205 and name   HN) 2.391 0.715 0.715 weight 1.000 ! spec=13C, no=5266, id=4735, vol=3.860000e+05
assign (segid "   B" and resid  205 and name  HD2) (segid "   B" and resid  205 and name   HN) 3.444 1.483 1.483 weight 1.000 ! spec=13C, no=5267, id=4736, vol=4.320000e+04
assign (segid "   B" and resid  206 and name   HA) (segid "   B" and resid  205 and name   HN) 4.028 2.028 2.028 weight 1.000 ! spec=13C, no=5269, id=4738, vol=1.690000e+04
assign (segid "   B" and resid  205 and name   HA) (segid "   B" and resid  204 and name  HB2) 3.640 1.657 1.657 weight 1.000 ! spec=13C, no=5271, id=4740, vol=3.100000e+04
assign (segid "   B" and resid  205 and name  HB2) (segid "   B" and resid  205 and name   HA) 2.703 0.913 0.913 weight 1.000 ! spec=13C, no=5273, id=4741, vol=1.850000e+05
assign (segid "   B" and resid  205 and name  HG2) (segid "   B" and resid  205 and name   HA) 2.755 0.949 0.949 weight 1.000 ! spec=13C, no=5275, id=4743, vol=1.650000e+05
assign (segid "   B" and resid  208 and name   HA) (segid "   B" and resid  205 and name   HA) 2.511 0.788 0.788 weight 1.000 ! spec=13C, no=5277, id=4745, vol=2.880000e+05
assign (segid "   B" and resid  204 and name  HB2) (segid "   B" and resid  205 and name  HB2) 4.004 2.004 2.004 weight 1.000 ! spec=13C, no=5283, id=4751, vol=1.750000e+04
assign (segid "   B" and resid  205 and name  HD2) (segid "   B" and resid  205 and name  HB2) 3.082 1.187 1.187 weight 1.000 ! spec=13C, no=5286, id=4753, vol=8.420000e+04
assign (segid "   B" and resid  205 and name  HD2) (segid "   B" and resid  205 and name   HA) 3.264 1.331 1.331 weight 1.000 ! spec=13C, no=5288, id=4755, vol=5.970000e+04
assign (segid "   B" and resid  205 and name  HG2) (segid "   B" and resid  205 and name  HD2) 2.710 0.918 0.918 weight 1.000 ! spec=13C, no=5291, id=4757, vol=1.820000e+05
assign (segid "   B" and resid  208 and name  HB2) (segid "   B" and resid  205 and name  HD2) 2.668 0.890 0.890 weight 1.000 ! spec=13C, no=5293, id=4759, vol=2.000000e+05
assign (segid "   B" and resid  211 and name  HA1) (segid "   B" and resid  205 and name  HD2) 3.516 1.545 1.545 weight 1.000 ! spec=13C, no=5295, id=4761, vol=3.820000e+04
assign (segid "   B" and resid  204 and name  HB2) (segid "   B" and resid  206 and name   HN) 4.295 2.305 2.305 weight 1.000 ! spec=13C, no=5302, id=4767, vol=1.150000e+04
assign (segid "   B" and resid  205 and name  HG2) (segid "   B" and resid  206 and name   HN) 2.995 1.121 1.121 weight 1.000 ! spec=13C, no=5305, id=4770, vol=1.000000e+05
assign (segid "   B" and resid  207 and name   HA) (segid "   B" and resid  206 and name   HN) 5.684 4.038 4.038 weight 1.000 ! spec=13C, no=5308, id=4773, vol=2.140000e+03
assign (segid "   B" and resid  206 and name   HA) (segid "   B" and resid  205 and name  HB2) 2.975 1.107 1.107 weight 1.000 ! spec=13C, no=5311, id=4776, vol=1.040000e+05
assign (segid "   B" and resid  206 and name   HB) (segid "   B" and resid  206 and name   HA) 3.446 1.484 1.484 weight 1.000 ! spec=13C, no=5313, id=4777, vol=4.310000e+04
assign (segid "   B" and resid  207 and name   HA) (segid "   B" and resid  206 and name   HA) 3.374 1.423 1.423 weight 1.000 ! spec=13C, no=5314, id=4778, vol=4.890000e+04
assign (segid "   B" and resid  204 and name   HA) (segid "   B" and resid  206 and name   HB) 2.784 0.969 0.969 weight 1.000 ! spec=13C, no=5316, id=4780, vol=1.550000e+05
assign (segid "   B" and resid  205 and name   HA) (segid "   B" and resid  206 and name   HB) 4.702 2.763 2.763 weight 1.000 ! spec=13C, no=5317, id=4781, vol=6.680000e+03
assign (segid "   B" and resid  207 and name   HA) (segid "   B" and resid  206 and name   HB) 3.206 1.285 1.285 weight 1.000 ! spec=13C, no=5320, id=4783, vol=6.640000e+04
assign (segid "   B" and resid  204 and name   HA) (segid "   B" and resid  207 and name   HN) 3.226 1.301 1.301 weight 1.000 ! spec=13C, no=5322, id=4785, vol=6.400000e+04
assign (segid "   B" and resid  204 and name  HB2) (segid "   B" and resid  207 and name   HN) 3.489 1.522 1.522 weight 1.000 ! spec=13C, no=5323, id=4786, vol=4.000000e+04
assign (segid "   B" and resid  207 and name  HB2) (segid "   B" and resid  207 and name   HN) 2.253 0.634 0.634 weight 1.000 ! spec=13C, no=5328, id=4791, vol=5.520000e+05
assign (segid "   B" and resid  208 and name  HB2) (segid "   B" and resid  207 and name   HN) 3.536 1.563 1.563 weight 1.000 ! spec=13C, no=5330, id=4793, vol=3.690000e+04
assign (segid "   B" and resid  207 and name  HB2) (segid "   B" and resid  207 and name   HA) 2.468 0.762 0.762 weight 1.000 ! spec=13C, no=5334, id=4796, vol=3.190000e+05
assign (segid "   B" and resid  206 and name   HA) (segid "   B" and resid  207 and name  HD1) 3.953 1.954 1.954 weight 1.000 ! spec=13C, no=5341, id=4802, vol=1.890000e+04
assign (segid "   B" and resid  206 and name   HB) (segid "   B" and resid  207 and name  HD1) 3.595 1.616 1.616 weight 1.000 ! spec=13C, no=5342, id=4803, vol=3.340000e+04
assign (segid "   B" and resid  207 and name   HA) (segid "   B" and resid  207 and name  HD1) 3.026 1.145 1.145 weight 1.000 ! spec=13C, no=5343, id=4804, vol=9.390000e+04
assign (segid "   B" and resid  207 and name  HB2) (segid "   B" and resid  207 and name  HD1) 3.749 1.757 1.757 weight 1.000 ! spec=13C, no=5344, id=4805, vol=2.600000e+04
assign (segid "   B" and resid  223 and name   HB) (segid "   B" and resid  207 and name  HD1) 3.422 1.464 1.464 weight 1.000 ! spec=13C, no=5345, id=4806, vol=4.490000e+04
assign (segid "   B" and resid  223 and name   HB) (segid "   B" and resid  207 and name  HE2) 3.891 1.892 1.892 weight 1.000 ! spec=13C, no=5348, id=4809, vol=2.080000e+04
assign (segid "   B" and resid  224 and name  HE2) (segid "   B" and resid  207 and name  HE2) 2.870 1.030 1.030 weight 1.000 ! spec=13C, no=5349, id=4810, vol=1.290000e+05
assign (segid "   B" and resid  204 and name   HA) (segid "   B" and resid  208 and name   HN) 3.369 1.419 1.419 weight 1.000 ! spec=13C, no=5350, id=4811, vol=4.930000e+04
assign (segid "   B" and resid  204 and name  HB2) (segid "   B" and resid  208 and name   HN) 3.919 1.920 1.920 weight 1.000 ! spec=13C, no=5351, id=4812, vol=1.990000e+04
assign (segid "   B" and resid  207 and name  HB2) (segid "   B" and resid  208 and name   HN) 3.327 1.384 1.384 weight 1.000 ! spec=13C, no=5355, id=4816, vol=5.320000e+04
assign (segid "   B" and resid  208 and name   HA) (segid "   B" and resid  207 and name   HA) 2.733 0.934 0.934 weight 1.000 ! spec=13C, no=5358, id=4819, vol=1.730000e+05
assign (segid "   B" and resid  209 and name   HA) (segid "   B" and resid  208 and name   HA) 5.044 3.180 3.180 weight 1.000 ! spec=13C, no=5362, id=4822, vol=4.380000e+03
assign (segid "   B" and resid  204 and name   HA) (segid "   B" and resid  208 and name  HB2) 3.714 1.724 1.724 weight 1.000 ! spec=13C, no=5365, id=4825, vol=2.750000e+04
assign (segid "   B" and resid  208 and name  HB2) (segid "   B" and resid  208 and name   HA) 2.272 0.645 0.645 weight 1.000 ! spec=13C, no=5369, id=4829, vol=5.250000e+05
assign (segid "   B" and resid  208 and name   HA) (segid "   B" and resid  209 and name   HN) 3.125 1.221 1.221 weight 1.000 ! spec=13C, no=5372, id=4831, vol=7.740000e+04
assign (segid "   B" and resid  209 and name  HB2) (segid "   B" and resid  209 and name   HN) 4.146 2.149 2.149 weight 1.000 ! spec=13C, no=5375, id=4834, vol=1.420000e+04
assign (segid "   B" and resid  209 and name  HE2) (segid "   B" and resid  209 and name   HN) 2.588 0.837 0.837 weight 1.000 ! spec=13C, no=5377, id=4836, vol=2.400000e+05
assign (segid "   B" and resid  210 and name  HB2) (segid "   B" and resid  209 and name   HN) 4.456 2.483 2.483 weight 1.000 ! spec=13C, no=5380, id=4839, vol=9.210000e+03
assign (segid "   B" and resid  208 and name  HB2) (segid "   B" and resid  209 and name   HA) 3.463 1.499 1.499 weight 1.000 ! spec=13C, no=5382, id=4841, vol=4.180000e+04
assign (segid "   B" and resid  209 and name  HB2) (segid "   B" and resid  209 and name   HA) 2.961 1.096 1.096 weight 1.000 ! spec=13C, no=5384, id=4842, vol=1.070000e+05
assign (segid "   B" and resid  209 and name  HG2) (segid "   B" and resid  209 and name   HA) 3.400 1.445 1.445 weight 1.000 ! spec=13C, no=5386, id=4844, vol=4.670000e+04
assign (segid "   B" and resid  209 and name  HD2) (segid "   B" and resid  209 and name  HB2) 2.069 0.535 0.535 weight 1.000 ! spec=13C, no=5390, id=4847, vol=9.210000e+05
assign (segid "   B" and resid  209 and name  HE2) (segid "   B" and resid  209 and name  HB2) 3.261 1.329 1.329 weight 1.000 ! spec=13C, no=5391, id=4848, vol=6.000000e+04
assign (segid "   B" and resid  209 and name  HG2) (segid "   B" and resid  209 and name  HB2) 2.094 0.548 0.548 weight 1.000 ! spec=13C, no=5392, id=4849, vol=8.560000e+05
assign (segid "   B" and resid  209 and name  HD2) (segid "   B" and resid  209 and name   HA) 3.631 1.648 1.648 weight 1.000 ! spec=13C, no=5394, id=4851, vol=3.150000e+04
assign (segid "   B" and resid  209 and name  HG2) (segid "   B" and resid  209 and name  HD2) 1.883 0.443 0.443 weight 1.000 ! spec=13C, no=5398, id=4854, vol=1.620000e+06
assign (segid "   B" and resid  209 and name   HA) (segid "   B" and resid  209 and name  HE2) 5.338 3.561 3.561 weight 1.000 ! spec=13C, no=5399, id=4855, vol=3.120000e+03
assign (segid "   B" and resid  209 and name  HE2) (segid "   B" and resid  209 and name  HD2) 3.606 1.626 1.626 weight 1.000 ! spec=13C, no=5401, id=4857, vol=3.280000e+04
assign (segid "   B" and resid  209 and name  HG2) (segid "   B" and resid  209 and name  HE2) 4.252 2.260 2.260 weight 1.000 ! spec=13C, no=5408, id=4863, vol=1.220000e+04
assign (segid "   B" and resid  208 and name   HA) (segid "   B" and resid  210 and name   HN) 3.125 1.221 1.221 weight 1.000 ! spec=13C, no=5410, id=4864, vol=7.740000e+04
assign (segid "   B" and resid  209 and name   HA) (segid "   B" and resid  210 and name   HN) 2.856 1.019 1.019 weight 1.000 ! spec=13C, no=5412, id=4866, vol=1.330000e+05
assign (segid "   B" and resid  209 and name  HB2) (segid "   B" and resid  210 and name   HN) 4.146 2.149 2.149 weight 1.000 ! spec=13C, no=5413, id=4867, vol=1.420000e+04
assign (segid "   B" and resid  210 and name  HB2) (segid "   B" and resid  210 and name   HN) 4.456 2.483 2.483 weight 1.000 ! spec=13C, no=5416, id=4870, vol=9.210000e+03
assign (segid "   B" and resid  211 and name  HA1) (segid "   B" and resid  210 and name   HN) 4.437 2.461 2.461 weight 1.000 ! spec=13C, no=5417, id=4871, vol=9.450000e+03
assign (segid "   B" and resid  210 and name   HA) (segid "   B" and resid  209 and name   HA) 2.922 1.067 1.067 weight 1.000 ! spec=13C, no=5418, id=4872, vol=1.160000e+05
assign (segid "   B" and resid  210 and name   HA) (segid "   B" and resid  211 and name  HA1) 3.486 1.519 1.519 weight 1.000 ! spec=13C, no=5423, id=4876, vol=4.020000e+04
assign (segid "   B" and resid  209 and name   HA) (segid "   B" and resid  210 and name  HB2) 5.338 3.561 3.561 weight 1.000 ! spec=13C, no=5424, id=4877, vol=3.120000e+03
assign (segid "   B" and resid  210 and name  HB2) (segid "   B" and resid  210 and name   HA) 2.739 0.938 0.938 weight 1.000 ! spec=13C, no=5425, id=4878, vol=1.710000e+05
assign (segid "   B" and resid  210 and name  HB2) (segid "   B" and resid  211 and name  HA1) 3.629 1.646 1.646 weight 1.000 ! spec=13C, no=5427, id=4879, vol=3.160000e+04
assign (segid "   B" and resid  209 and name   HA) (segid "   B" and resid  211 and name   HN) 5.416 3.666 3.666 weight 1.000 ! spec=13C, no=5433, id=4885, vol=2.860000e+03
assign (segid "   B" and resid  210 and name   HA) (segid "   B" and resid  211 and name   HN) 2.098 0.550 0.550 weight 1.000 ! spec=13C, no=5434, id=4886, vol=8.450000e+05
assign (segid "   B" and resid  210 and name  HB2) (segid "   B" and resid  211 and name   HN) 4.258 2.267 2.267 weight 1.000 ! spec=13C, no=5435, id=4887, vol=1.210000e+04
assign (segid "   B" and resid  210 and name  HB2) (segid "   B" and resid  212 and name   HN) 5.385 3.624 3.624 weight 1.000 ! spec=13C, no=5439, id=4891, vol=2.960000e+03
assign (segid "   B" and resid  213 and name  HA1) (segid "   B" and resid  212 and name   HN) 4.816 2.900 2.900 weight 1.000 ! spec=13C, no=5443, id=4895, vol=5.780000e+03
assign (segid "   B" and resid  212 and name   HA) (segid "   B" and resid  211 and name  HA1) 3.119 1.216 1.216 weight 1.000 ! spec=13C, no=5444, id=4896, vol=7.840000e+04
assign (segid "   B" and resid  212 and name  HB2) (segid "   B" and resid  212 and name   HA) 2.034 0.517 0.517 weight 1.000 ! spec=13C, no=5446, id=4897, vol=1.020000e+06
assign (segid "   B" and resid  212 and name   HA) (segid "   B" and resid  213 and name  HA1) 4.444 2.469 2.469 weight 1.000 ! spec=13C, no=5447, id=4898, vol=9.360000e+03
assign (segid "   B" and resid  211 and name  HA1) (segid "   B" and resid  212 and name  HB2) 3.629 1.646 1.646 weight 1.000 ! spec=13C, no=5449, id=4900, vol=3.160000e+04
assign (segid "   B" and resid  213 and name  HA1) (segid "   B" and resid  212 and name  HB2) 4.631 2.681 2.681 weight 1.000 ! spec=13C, no=5452, id=4902, vol=7.310000e+03
assign (segid "   B" and resid  214 and name   HA) (segid "   B" and resid  212 and name  HB2) 5.400 3.645 3.645 weight 1.000 ! spec=13C, no=5453, id=4903, vol=2.910000e+03
assign (segid "   B" and resid  212 and name  HB2) (segid "   B" and resid  214 and name  HB2) 3.420 1.462 1.462 weight 1.000 ! spec=13C, no=5454, id=4904, vol=4.510000e+04
assign (segid "   B" and resid  212 and name   HA) (segid "   B" and resid  213 and name   HN) 2.325 0.676 0.676 weight 1.000 ! spec=13C, no=5456, id=4906, vol=4.570000e+05
assign (segid "   B" and resid  212 and name   HA) (segid "   B" and resid  214 and name   HN) 2.739 0.938 0.938 weight 1.000 ! spec=13C, no=5460, id=4910, vol=1.710000e+05
assign (segid "   B" and resid  214 and name  HB2) (segid "   B" and resid  214 and name   HN) 3.400 1.445 1.445 weight 1.000 ! spec=13C, no=5464, id=4914, vol=4.670000e+04
assign (segid "   B" and resid  214 and name  HB2) (segid "   B" and resid  214 and name   HA) 4.073 2.074 2.074 weight 1.000 ! spec=13C, no=5468, id=4917, vol=1.580000e+04
assign (segid "   B" and resid  251 and name   HA) (segid "   B" and resid  214 and name   HA) 3.190 1.272 1.272 weight 1.000 ! spec=13C, no=5471, id=4920, vol=6.850000e+04
assign (segid "   B" and resid  253 and name   HA) (segid "   B" and resid  214 and name   HA) 3.751 1.759 1.759 weight 1.000 ! spec=13C, no=5474, id=4923, vol=2.590000e+04
assign (segid "   B" and resid  253 and name  HB2) (segid "   B" and resid  214 and name   HA) 4.001 2.001 2.001 weight 1.000 ! spec=13C, no=5475, id=4924, vol=1.760000e+04
assign (segid "   B" and resid  214 and name  HB2) (segid "   B" and resid  250 and name   HA) 2.878 1.035 1.035 weight 1.000 ! spec=13C, no=5479, id=4927, vol=1.270000e+05
assign (segid "   B" and resid  250 and name  HB2) (segid "   B" and resid  214 and name  HB2) 12.189 12.189 18.571 weight 1.000 ! spec=13C, no=5480, id=4928, vol=2.200000e+01
assign (segid "   B" and resid  214 and name  HB2) (segid "   B" and resid  250 and name  HG2) 3.776 1.782 1.782 weight 1.000 ! spec=13C, no=5481, id=4929, vol=2.490000e+04
assign (segid "   B" and resid  251 and name   HA) (segid "   B" and resid  214 and name  HB2) 3.347 1.400 1.400 weight 1.000 ! spec=13C, no=5482, id=4930, vol=5.130000e+04
assign (segid "   B" and resid  252 and name   HA) (segid "   B" and resid  214 and name  HB2) 3.016 1.137 1.137 weight 1.000 ! spec=13C, no=5483, id=4931, vol=9.590000e+04
assign (segid "   B" and resid  252 and name  HB2) (segid "   B" and resid  214 and name  HB2) 2.980 1.110 1.110 weight 1.000 ! spec=13C, no=5484, id=4932, vol=1.030000e+05
assign (segid "   B" and resid  214 and name   HA) (segid "   B" and resid  214 and name  HD1) 4.208 2.213 2.213 weight 1.000 ! spec=13C, no=5485, id=4933, vol=1.300000e+04
assign (segid "   B" and resid  214 and name  HB2) (segid "   B" and resid  214 and name  HD1) 3.300 1.361 1.361 weight 1.000 ! spec=13C, no=5486, id=4934, vol=5.590000e+04
assign (segid "   B" and resid  250 and name   HA) (segid "   B" and resid  214 and name  HD1) 2.175 0.591 0.591 weight 1.000 ! spec=13C, no=5488, id=4936, vol=6.810000e+05
assign (segid "   B" and resid  250 and name  HB2) (segid "   B" and resid  214 and name  HD1) 4.028 2.028 2.028 weight 1.000 ! spec=13C, no=5489, id=4937, vol=1.690000e+04
assign (segid "   B" and resid  250 and name  HG2) (segid "   B" and resid  214 and name  HD1) 4.008 2.008 2.008 weight 1.000 ! spec=13C, no=5490, id=4938, vol=1.740000e+04
assign (segid "   B" and resid  212 and name  HB2) (segid "   B" and resid  214 and name  HE2) 3.386 1.433 1.433 weight 1.000 ! spec=13C, no=5492, id=4940, vol=4.790000e+04
assign (segid "   B" and resid  214 and name  HB2) (segid "   B" and resid  214 and name  HE2) 3.300 1.361 1.361 weight 1.000 ! spec=13C, no=5493, id=4941, vol=5.590000e+04
assign (segid "   B" and resid  251 and name   HB) (segid "   B" and resid  215 and name   HN) 5.154 3.320 3.320 weight 1.000 ! spec=13C, no=5500, id=4948, vol=3.850000e+03
assign (segid "   B" and resid  215 and name   HA) (segid "   B" and resid  214 and name   HA) 3.714 1.724 1.724 weight 1.000 ! spec=13C, no=5502, id=4950, vol=2.750000e+04
assign (segid "   B" and resid  215 and name   HA) (segid "   B" and resid  214 and name  HB2) 3.652 1.667 1.667 weight 1.000 ! spec=13C, no=5503, id=4951, vol=3.040000e+04
assign (segid "   B" and resid  216 and name  HB2) (segid "   B" and resid  215 and name   HA) 3.536 1.563 1.563 weight 1.000 ! spec=13C, no=5507, id=4954, vol=3.690000e+04
assign (segid "   B" and resid  215 and name   HB) (segid "   B" and resid  208 and name   HA) 4.574 2.615 2.615 weight 1.000 ! spec=13C, no=5508, id=4955, vol=7.880000e+03
assign (segid "   B" and resid  215 and name   HB) (segid "   B" and resid  208 and name  HB2) 3.812 1.817 1.817 weight 1.000 ! spec=13C, no=5509, id=4956, vol=2.350000e+04
assign (segid "   B" and resid  215 and name   HB) (segid "   B" and resid  214 and name   HA) 3.164 1.251 1.251 weight 1.000 ! spec=13C, no=5510, id=4957, vol=7.190000e+04
assign (segid "   B" and resid  215 and name   HB) (segid "   B" and resid  215 and name   HA) 2.626 0.862 0.862 weight 1.000 ! spec=13C, no=5511, id=4958, vol=2.200000e+05
assign (segid "   B" and resid  219 and name  HG2) (segid "   B" and resid  216 and name   HN) 3.335 1.391 1.391 weight 1.000 ! spec=13C, no=5519, id=4965, vol=5.240000e+04
assign (segid "   B" and resid  216 and name   HA) (segid "   B" and resid  215 and name   HA) 2.998 1.123 1.123 weight 1.000 ! spec=13C, no=5520, id=4966, vol=9.940000e+04
assign (segid "   B" and resid  216 and name  HB2) (segid "   B" and resid  216 and name   HA) 2.996 1.122 1.122 weight 1.000 ! spec=13C, no=5522, id=4967, vol=9.970000e+04
assign (segid "   B" and resid  217 and name   HA) (segid "   B" and resid  216 and name   HA) 3.187 1.269 1.269 weight 1.000 ! spec=13C, no=5523, id=4968, vol=6.890000e+04
assign (segid "   B" and resid  217 and name  HB2) (segid "   B" and resid  216 and name   HA) 3.406 1.450 1.450 weight 1.000 ! spec=13C, no=5524, id=4969, vol=4.620000e+04
assign (segid "   B" and resid  249 and name  HA1) (segid "   B" and resid  216 and name   HA) 4.710 2.773 2.773 weight 1.000 ! spec=13C, no=5525, id=4970, vol=6.610000e+03
assign (segid "   B" and resid  250 and name   HA) (segid "   B" and resid  216 and name   HA) 1.322 0.219 0.219 weight 1.000 ! spec=13C, no=5526, id=4971, vol=1.350000e+07
assign (segid "   B" and resid  250 and name  HB2) (segid "   B" and resid  216 and name   HA) 3.347 1.400 1.400 weight 1.000 ! spec=13C, no=5527, id=4972, vol=5.130000e+04
assign (segid "   B" and resid  250 and name  HG2) (segid "   B" and resid  216 and name   HA) 3.799 1.804 1.804 weight 1.000 ! spec=13C, no=5528, id=4973, vol=2.400000e+04
assign (segid "   B" and resid  219 and name  HG2) (segid "   B" and resid  216 and name  HB2) 2.518 0.793 0.793 weight 1.000 ! spec=13C, no=5532, id=4976, vol=2.830000e+05
assign (segid "   B" and resid  216 and name  HB2) (segid "   B" and resid  217 and name   HN) 3.060 1.170 1.170 weight 1.000 ! spec=13C, no=5534, id=4978, vol=8.790000e+04
assign (segid "   B" and resid  218 and name   HA) (segid "   B" and resid  217 and name   HN) 4.040 2.040 2.040 weight 1.000 ! spec=13C, no=5537, id=4981, vol=1.660000e+04
assign (segid "   B" and resid  250 and name   HA) (segid "   B" and resid  217 and name   HN) 5.160 3.329 3.329 weight 1.000 ! spec=13C, no=5539, id=4983, vol=3.820000e+03
assign (segid "   B" and resid  217 and name  HB2) (segid "   B" and resid  217 and name   HA) 6.702 5.615 5.615 weight 1.000 ! spec=13C, no=5543, id=4986, vol=7.960000e+02
assign (segid "   B" and resid  218 and name   HA) (segid "   B" and resid  217 and name   HA) 2.990 1.117 1.117 weight 1.000 ! spec=13C, no=5544, id=4987, vol=1.010000e+05
assign (segid "   B" and resid  220 and name   HA) (segid "   B" and resid  217 and name   HA) 3.037 1.153 1.153 weight 1.000 ! spec=13C, no=5545, id=4988, vol=9.190000e+04
assign (segid "   B" and resid  220 and name HD12) (segid "   B" and resid  217 and name   HA) 3.238 1.311 1.311 weight 1.000 ! spec=13C, no=5547, id=4990, vol=6.260000e+04
assign (segid "   B" and resid  220 and name   HG) (segid "   B" and resid  217 and name   HA) 4.001 2.001 2.001 weight 1.000 ! spec=13C, no=5548, id=4991, vol=1.760000e+04
assign (segid "   B" and resid  216 and name   HA) (segid "   B" and resid  218 and name   HN) 2.616 0.856 0.856 weight 1.000 ! spec=13C, no=5550, id=4993, vol=2.250000e+05
assign (segid "   B" and resid  217 and name  HB2) (segid "   B" and resid  218 and name   HN) 3.778 1.784 1.784 weight 1.000 ! spec=13C, no=5553, id=4996, vol=2.480000e+04
assign (segid "   B" and resid  218 and name  HB2) (segid "   B" and resid  218 and name   HN) 3.454 1.491 1.491 weight 1.000 ! spec=13C, no=5555, id=4998, vol=4.250000e+04
assign (segid "   B" and resid  217 and name  HB2) (segid "   B" and resid  218 and name   HA) 3.685 1.698 1.698 weight 1.000 ! spec=13C, no=5558, id=5001, vol=2.880000e+04
assign (segid "   B" and resid  218 and name  HB2) (segid "   B" and resid  218 and name   HA) 3.986 1.986 1.986 weight 1.000 ! spec=13C, no=5560, id=5002, vol=1.800000e+04
assign (segid "   B" and resid  221 and name   HA) (segid "   B" and resid  218 and name   HA) 3.406 1.450 1.450 weight 1.000 ! spec=13C, no=5562, id=5004, vol=4.620000e+04
assign (segid "   B" and resid  221 and name  HB2) (segid "   B" and resid  218 and name   HA) 3.068 1.177 1.177 weight 1.000 ! spec=13C, no=5563, id=5005, vol=8.650000e+04
assign (segid "   B" and resid  221 and name  HG2) (segid "   B" and resid  218 and name   HA) 5.748 4.130 4.130 weight 1.000 ! spec=13C, no=5564, id=5006, vol=2.000000e+03
assign (segid "   B" and resid  216 and name   HA) (segid "   B" and resid  219 and name   HN) 2.649 0.877 0.877 weight 1.000 ! spec=13C, no=5565, id=5007, vol=2.090000e+05
assign (segid "   B" and resid  217 and name   HA) (segid "   B" and resid  219 and name   HN) 3.634 1.651 1.651 weight 1.000 ! spec=13C, no=5567, id=5009, vol=3.130000e+04
assign (segid "   B" and resid  218 and name   HA) (segid "   B" and resid  219 and name   HN) 4.983 3.104 3.104 weight 1.000 ! spec=13C, no=5568, id=5010, vol=4.710000e+03
assign (segid "   B" and resid  219 and name   HA) (segid "   B" and resid  219 and name   HN) 2.148 0.577 0.577 weight 1.000 ! spec=13C, no=5570, id=5012, vol=7.340000e+05
assign (segid "   B" and resid  219 and name  HG2) (segid "   B" and resid  219 and name   HN) 2.439 0.743 0.743 weight 1.000 ! spec=13C, no=5572, id=5014, vol=3.430000e+05
assign (segid "   B" and resid  220 and name   HA) (segid "   B" and resid  219 and name   HN) 4.181 2.185 2.185 weight 1.000 ! spec=13C, no=5573, id=5015, vol=1.350000e+04
assign (segid "   B" and resid  220 and name  HB2) (segid "   B" and resid  219 and name   HN) 2.867 1.027 1.027 weight 1.000 ! spec=13C, no=5574, id=5016, vol=1.300000e+05
assign (segid "   B" and resid  218 and name  HB2) (segid "   B" and resid  219 and name   HA) 2.504 0.783 0.783 weight 1.000 ! spec=13C, no=5576, id=5018, vol=2.930000e+05
assign (segid "   B" and resid  219 and name  HG2) (segid "   B" and resid  219 and name   HA) 2.365 0.699 0.699 weight 1.000 ! spec=13C, no=5579, id=5020, vol=4.120000e+05
assign (segid "   B" and resid  220 and name   HA) (segid "   B" and resid  219 and name   HA) 3.281 1.346 1.346 weight 1.000 ! spec=13C, no=5580, id=5021, vol=5.780000e+04
assign (segid "   B" and resid  215 and name   HA) (segid "   B" and resid  219 and name  HB2) 3.533 1.560 1.560 weight 1.000 ! spec=13C, no=5583, id=5024, vol=3.710000e+04
assign (segid "   B" and resid  215 and name   HB) (segid "   B" and resid  219 and name  HB2) 4.673 2.729 2.729 weight 1.000 ! spec=13C, no=5584, id=5025, vol=6.930000e+03
assign (segid "   B" and resid  216 and name   HA) (segid "   B" and resid  219 and name  HB2) 2.454 0.753 0.753 weight 1.000 ! spec=13C, no=5585, id=5026, vol=3.300000e+05
assign (segid "   B" and resid  219 and name  HB2) (segid "   B" and resid  216 and name  HB2) 7.124 6.344 6.344 weight 1.000 ! spec=13C, no=5586, id=5027, vol=5.520000e+02
assign (segid "   B" and resid  219 and name  HB2) (segid "   B" and resid  219 and name   HA) 2.772 0.961 0.961 weight 1.000 ! spec=13C, no=5587, id=5028, vol=1.590000e+05
assign (segid "   B" and resid  219 and name  HG2) (segid "   B" and resid  219 and name  HB2) 1.985 0.492 0.492 weight 1.000 ! spec=13C, no=5589, id=5029, vol=1.180000e+06
assign (segid "   B" and resid  216 and name  HB2) (segid "   B" and resid  220 and name   HN) 3.019 1.140 1.140 weight 1.000 ! spec=13C, no=5597, id=5036, vol=9.520000e+04
assign (segid "   B" and resid  218 and name   HA) (segid "   B" and resid  220 and name   HN) 3.399 1.444 1.444 weight 1.000 ! spec=13C, no=5599, id=5038, vol=4.680000e+04
assign (segid "   B" and resid  219 and name  HG2) (segid "   B" and resid  220 and name   HN) 2.336 0.682 0.682 weight 1.000 ! spec=13C, no=5602, id=5041, vol=4.440000e+05
assign (segid "   B" and resid  220 and name HD12) (segid "   B" and resid  220 and name   HN) 3.183 1.266 1.266 weight 1.000 ! spec=13C, no=5606, id=5045, vol=6.940000e+04
assign (segid "   B" and resid  220 and name   HG) (segid "   B" and resid  220 and name   HN) 2.966 1.100 1.100 weight 1.000 ! spec=13C, no=5607, id=5046, vol=1.060000e+05
assign (segid "   B" and resid  221 and name   HA) (segid "   B" and resid  220 and name   HN) 3.485 1.518 1.518 weight 1.000 ! spec=13C, no=5608, id=5047, vol=4.030000e+04
assign (segid "   B" and resid  220 and name   HA) (segid "   B" and resid  219 and name  HB2) 3.218 1.294 1.294 weight 1.000 ! spec=13C, no=5610, id=5049, vol=6.500000e+04
assign (segid "   B" and resid  220 and name HD12) (segid "   B" and resid  220 and name   HA) 3.142 1.234 1.234 weight 1.000 ! spec=13C, no=5613, id=5051, vol=7.500000e+04
assign (segid "   B" and resid  223 and name   HA) (segid "   B" and resid  220 and name   HA) 3.612 1.631 1.631 weight 1.000 ! spec=13C, no=5617, id=5055, vol=3.250000e+04
assign (segid "   B" and resid  223 and name   HB) (segid "   B" and resid  220 and name   HA) 3.749 1.757 1.757 weight 1.000 ! spec=13C, no=5618, id=5056, vol=2.600000e+04
assign (segid "   B" and resid  215 and name   HB) (segid "   B" and resid  220 and name  HB2) 3.753 1.761 1.761 weight 1.000 ! spec=13C, no=5620, id=5058, vol=2.580000e+04
assign (segid "   B" and resid  220 and name  HB2) (segid "   B" and resid  217 and name   HA) 3.426 1.467 1.467 weight 1.000 ! spec=13C, no=5622, id=5060, vol=4.460000e+04
assign (segid "   B" and resid  220 and name  HB2) (segid "   B" and resid  219 and name  HB2) 4.661 2.715 2.715 weight 1.000 ! spec=13C, no=5624, id=5062, vol=7.040000e+03
assign (segid "   B" and resid  220 and name  HB2) (segid "   B" and resid  220 and name   HA) 3.373 1.422 1.422 weight 1.000 ! spec=13C, no=5625, id=5063, vol=4.900000e+04
assign (segid "   B" and resid  222 and name   HA) (segid "   B" and resid  221 and name   HN) 3.796 1.802 1.802 weight 1.000 ! spec=13C, no=5640, id=5077, vol=2.410000e+04
assign (segid "   B" and resid  221 and name   HA) (segid "   B" and resid  220 and name   HA) 3.650 1.666 1.666 weight 1.000 ! spec=13C, no=5641, id=5078, vol=3.050000e+04
assign (segid "   B" and resid  220 and name  HB2) (segid "   B" and resid  221 and name   HA) 4.202 2.207 2.207 weight 1.000 ! spec=13C, no=5642, id=5079, vol=1.310000e+04
assign (segid "   B" and resid  221 and name   HA) (segid "   B" and resid  220 and name   HG) 4.113 2.115 2.115 weight 1.000 ! spec=13C, no=5643, id=5080, vol=1.490000e+04
assign (segid "   B" and resid  221 and name  HB2) (segid "   B" and resid  221 and name   HA) 3.182 1.266 1.266 weight 1.000 ! spec=13C, no=5645, id=5081, vol=6.950000e+04
assign (segid "   B" and resid  221 and name  HG2) (segid "   B" and resid  221 and name   HA) 3.926 1.927 1.927 weight 1.000 ! spec=13C, no=5646, id=5082, vol=1.970000e+04
assign (segid "   B" and resid  222 and name   HA) (segid "   B" and resid  221 and name   HA) 3.157 1.246 1.246 weight 1.000 ! spec=13C, no=5647, id=5083, vol=7.290000e+04
assign (segid "   B" and resid  224 and name   HA) (segid "   B" and resid  221 and name   HA) 3.483 1.517 1.517 weight 1.000 ! spec=13C, no=5648, id=5084, vol=4.040000e+04
assign (segid "   B" and resid  224 and name  HB2) (segid "   B" and resid  221 and name   HA) 3.604 1.624 1.624 weight 1.000 ! spec=13C, no=5649, id=5085, vol=3.290000e+04
assign (segid "   B" and resid  224 and name  HG2) (segid "   B" and resid  221 and name   HA) 3.234 1.307 1.307 weight 1.000 ! spec=13C, no=5650, id=5086, vol=6.310000e+04
assign (segid "   B" and resid  217 and name   HA) (segid "   B" and resid  221 and name  HB2) 3.768 1.775 1.775 weight 1.000 ! spec=13C, no=5651, id=5087, vol=2.520000e+04
assign (segid "   B" and resid  217 and name  HB2) (segid "   B" and resid  221 and name  HB2) 3.148 1.238 1.238 weight 1.000 ! spec=13C, no=5652, id=5088, vol=7.420000e+04
assign (segid "   B" and resid  220 and name   HA) (segid "   B" and resid  221 and name  HB2) 3.562 1.586 1.586 weight 1.000 ! spec=13C, no=5654, id=5090, vol=3.530000e+04
assign (segid "   B" and resid  220 and name  HB2) (segid "   B" and resid  221 and name  HB2) 4.793 2.872 2.872 weight 1.000 ! spec=13C, no=5655, id=5091, vol=5.950000e+03
assign (segid "   B" and resid  221 and name   HA) (segid "   B" and resid  221 and name  HD2) 3.843 1.846 1.846 weight 1.000 ! spec=13C, no=5659, id=5094, vol=2.240000e+04
assign (segid "   B" and resid  221 and name  HB2) (segid "   B" and resid  221 and name  HD2) 3.131 1.225 1.225 weight 1.000 ! spec=13C, no=5660, id=5095, vol=7.660000e+04
assign (segid "   B" and resid  221 and name  HG2) (segid "   B" and resid  221 and name  HD2) 4.016 2.016 2.016 weight 1.000 ! spec=13C, no=5661, id=5096, vol=1.720000e+04
assign (segid "   B" and resid  221 and name  HG2) (segid "   B" and resid  221 and name  HB2) 2.175 0.591 0.591 weight 1.000 ! spec=13C, no=5663, id=5098, vol=6.810000e+05
assign (segid "   B" and resid  221 and name  HG2) (segid "   B" and resid  222 and name   HA) 3.149 1.239 1.239 weight 1.000 ! spec=13C, no=5665, id=5099, vol=7.400000e+04
assign (segid "   B" and resid  225 and name   HB) (segid "   B" and resid  221 and name  HG2) 3.152 1.242 1.242 weight 1.000 ! spec=13C, no=5666, id=5100, vol=7.360000e+04
assign (segid "   B" and resid  218 and name   HA) (segid "   B" and resid  222 and name   HN) 2.893 1.046 1.046 weight 1.000 ! spec=13C, no=5667, id=5101, vol=1.230000e+05
assign (segid "   B" and resid  220 and name   HA) (segid "   B" and resid  222 and name   HN) 3.359 1.411 1.411 weight 1.000 ! spec=13C, no=5669, id=5103, vol=5.020000e+04
assign (segid "   B" and resid  222 and name   HA) (segid "   B" and resid  222 and name   HN) 3.812 1.817 1.817 weight 1.000 ! spec=13C, no=5673, id=5107, vol=2.350000e+04
assign (segid "   B" and resid  223 and name   HA) (segid "   B" and resid  222 and name   HN) 4.360 2.376 2.376 weight 1.000 ! spec=13C, no=5675, id=5109, vol=1.050000e+04
assign (segid "   B" and resid  221 and name  HB2) (segid "   B" and resid  222 and name   HA) 3.068 1.177 1.177 weight 1.000 ! spec=13C, no=5677, id=5111, vol=8.650000e+04
assign (segid "   B" and resid  225 and name   HB) (segid "   B" and resid  222 and name   HA) 2.815 0.991 0.991 weight 1.000 ! spec=13C, no=5682, id=5115, vol=1.450000e+05
assign (segid "   B" and resid  218 and name   HA) (segid "   B" and resid  222 and name  HB2) 3.675 1.688 1.688 weight 1.000 ! spec=13C, no=5685, id=5118, vol=2.930000e+04
assign (segid "   B" and resid  222 and name  HB2) (segid "   B" and resid  219 and name   HA) 2.693 0.907 0.907 weight 1.000 ! spec=13C, no=5686, id=5119, vol=1.890000e+05
assign (segid "   B" and resid  221 and name   HA) (segid "   B" and resid  222 and name  HB2) 4.247 2.254 2.254 weight 1.000 ! spec=13C, no=5687, id=5120, vol=1.230000e+04
assign (segid "   B" and resid  222 and name  HB2) (segid "   B" and resid  222 and name   HA) 3.404 1.448 1.448 weight 1.000 ! spec=13C, no=5688, id=5121, vol=4.640000e+04
assign (segid "   B" and resid  222 and name   HA) (segid "   B" and resid  222 and name  HD2) 2.917 1.064 1.064 weight 1.000 ! spec=13C, no=5690, id=5122, vol=1.170000e+05
assign (segid "   B" and resid  222 and name  HB2) (segid "   B" and resid  222 and name  HD2) 3.636 1.653 1.653 weight 1.000 ! spec=13C, no=5691, id=5123, vol=3.120000e+04
assign (segid "   B" and resid  223 and name   HA) (segid "   B" and resid  222 and name  HD2) 4.024 2.024 2.024 weight 1.000 ! spec=13C, no=5692, id=5124, vol=1.700000e+04
assign (segid "   B" and resid  223 and name   HB) (segid "   B" and resid  222 and name  HD2) 5.244 3.437 3.437 weight 1.000 ! spec=13C, no=5693, id=5125, vol=3.470000e+03
assign (segid "   B" and resid  226 and name  HB2) (segid "   B" and resid  222 and name  HD2) 4.270 2.279 2.279 weight 1.000 ! spec=13C, no=5694, id=5126, vol=1.190000e+04
assign (segid "   B" and resid  223 and name   HB) (segid "   B" and resid  223 and name   HN) 4.224 2.230 2.230 weight 1.000 ! spec=13C, no=5702, id=5134, vol=1.270000e+04
assign (segid "   B" and resid  224 and name   HA) (segid "   B" and resid  223 and name   HN) 4.585 2.627 2.627 weight 1.000 ! spec=13C, no=5703, id=5135, vol=7.770000e+03
assign (segid "   B" and resid  223 and name   HA) (segid "   B" and resid  222 and name   HA) 3.897 1.898 1.898 weight 1.000 ! spec=13C, no=5704, id=5136, vol=2.060000e+04
assign (segid "   B" and resid  222 and name  HB2) (segid "   B" and resid  223 and name   HA) 4.109 2.110 2.110 weight 1.000 ! spec=13C, no=5705, id=5137, vol=1.500000e+04
assign (segid "   B" and resid  227 and name   HA) (segid "   B" and resid  223 and name   HA) 2.849 1.014 1.014 weight 1.000 ! spec=13C, no=5711, id=5142, vol=1.350000e+05
assign (segid "   B" and resid  227 and name HD12) (segid "   B" and resid  223 and name   HA) 2.831 1.002 1.002 weight 1.000 ! spec=13C, no=5713, id=5144, vol=1.400000e+05
assign (segid "   B" and resid  223 and name   HA) (segid "   B" and resid  227 and name   HG) 3.194 1.275 1.275 weight 1.000 ! spec=13C, no=5714, id=5145, vol=6.800000e+04
assign (segid "   B" and resid  223 and name   HB) (segid "   B" and resid  223 and name   HA) 3.804 1.809 1.809 weight 1.000 ! spec=13C, no=5716, id=5147, vol=2.380000e+04
assign (segid "   B" and resid  227 and name  HB2) (segid "   B" and resid  223 and name   HB) 3.832 1.835 1.835 weight 1.000 ! spec=13C, no=5719, id=5149, vol=2.280000e+04
assign (segid "   B" and resid  227 and name HD12) (segid "   B" and resid  223 and name   HB) 1.605 0.322 0.322 weight 1.000 ! spec=13C, no=5720, id=5150, vol=4.220000e+06
assign (segid "   B" and resid  222 and name   HA) (segid "   B" and resid  224 and name   HN) 4.498 2.529 2.529 weight 1.000 ! spec=13C, no=5724, id=5154, vol=8.710000e+03
assign (segid "   B" and resid  224 and name   HA) (segid "   B" and resid  223 and name   HA) 3.737 1.745 1.745 weight 1.000 ! spec=13C, no=5732, id=5162, vol=2.650000e+04
assign (segid "   B" and resid  231 and name HD12) (segid "   B" and resid  224 and name   HA) 3.345 1.399 1.399 weight 1.000 ! spec=13C, no=5738, id=5167, vol=5.150000e+04
assign (segid "   B" and resid  224 and name   HA) (segid "   B" and resid  231 and name   HG) 2.930 1.073 1.073 weight 1.000 ! spec=13C, no=5739, id=5168, vol=1.140000e+05
assign (segid "   B" and resid  221 and name  HG2) (segid "   B" and resid  224 and name  HB2) 3.692 1.704 1.704 weight 1.000 ! spec=13C, no=5742, id=5171, vol=2.850000e+04
assign (segid "   B" and resid  223 and name   HA) (segid "   B" and resid  224 and name  HB2) 3.804 1.809 1.809 weight 1.000 ! spec=13C, no=5743, id=5172, vol=2.380000e+04
assign (segid "   B" and resid  224 and name  HB2) (segid "   B" and resid  224 and name   HA) 2.952 1.089 1.089 weight 1.000 ! spec=13C, no=5744, id=5173, vol=1.090000e+05
assign (segid "   B" and resid  224 and name  HG2) (segid "   B" and resid  224 and name  HB2) 3.804 1.809 1.809 weight 1.000 ! spec=13C, no=5747, id=5175, vol=2.380000e+04
assign (segid "   B" and resid  225 and name   HA) (segid "   B" and resid  224 and name  HB2) 3.421 1.463 1.463 weight 1.000 ! spec=13C, no=5748, id=5176, vol=4.500000e+04
assign (segid "   B" and resid  225 and name   HB) (segid "   B" and resid  224 and name  HB2) 3.943 1.943 1.943 weight 1.000 ! spec=13C, no=5749, id=5177, vol=1.920000e+04
assign (segid "   B" and resid  224 and name  HB2) (segid "   B" and resid  236 and name   HB) 2.882 1.038 1.038 weight 1.000 ! spec=13C, no=5750, id=5178, vol=1.260000e+05
assign (segid "   B" and resid  224 and name  HG2) (segid "   B" and resid  220 and name   HA) 3.621 1.639 1.639 weight 1.000 ! spec=13C, no=5751, id=5179, vol=3.200000e+04
assign (segid "   B" and resid  220 and name  HB2) (segid "   B" and resid  224 and name  HG2) 3.823 1.827 1.827 weight 1.000 ! spec=13C, no=5752, id=5180, vol=2.310000e+04
assign (segid "   B" and resid  220 and name HD12) (segid "   B" and resid  224 and name  HG2) 2.070 0.536 0.536 weight 1.000 ! spec=13C, no=5753, id=5181, vol=9.160000e+05
assign (segid "   B" and resid  224 and name  HG2) (segid "   B" and resid  220 and name   HG) 3.396 1.442 1.442 weight 1.000 ! spec=13C, no=5754, id=5182, vol=4.700000e+04
assign (segid "   B" and resid  223 and name   HA) (segid "   B" and resid  224 and name  HG2) 5.249 3.444 3.444 weight 1.000 ! spec=13C, no=5756, id=5184, vol=3.450000e+03
assign (segid "   B" and resid  223 and name   HB) (segid "   B" and resid  224 and name  HG2) 3.595 1.616 1.616 weight 1.000 ! spec=13C, no=5757, id=5185, vol=3.340000e+04
assign (segid "   B" and resid  224 and name  HG2) (segid "   B" and resid  224 and name   HA) 2.995 1.121 1.121 weight 1.000 ! spec=13C, no=5758, id=5186, vol=1.000000e+05
assign (segid "   B" and resid  223 and name   HA) (segid "   B" and resid  224 and name  HE2) 3.429 1.470 1.470 weight 1.000 ! spec=13C, no=5763, id=5190, vol=4.440000e+04
assign (segid "   B" and resid  224 and name  HE2) (segid "   B" and resid  223 and name   HB) 3.301 1.362 1.362 weight 1.000 ! spec=13C, no=5764, id=5191, vol=5.580000e+04
assign (segid "   B" and resid  224 and name  HE2) (segid "   B" and resid  224 and name   HA) 2.673 0.893 0.893 weight 1.000 ! spec=13C, no=5765, id=5192, vol=1.980000e+05
assign (segid "   B" and resid  224 and name  HE2) (segid "   B" and resid  224 and name  HB2) 3.092 1.195 1.195 weight 1.000 ! spec=13C, no=5766, id=5193, vol=8.250000e+04
assign (segid "   B" and resid  225 and name   HA) (segid "   B" and resid  225 and name   HN) 2.696 0.908 0.908 weight 1.000 ! spec=13C, no=5775, id=5201, vol=1.880000e+05
assign (segid "   B" and resid  230 and name  HB2) (segid "   B" and resid  225 and name   HA) 5.040 3.176 3.176 weight 1.000 ! spec=13C, no=5785, id=5210, vol=4.400000e+03
assign (segid "   B" and resid  231 and name   HG) (segid "   B" and resid  225 and name   HA) 5.524 3.814 3.814 weight 1.000 ! spec=13C, no=5788, id=5213, vol=2.540000e+03
assign (segid "   B" and resid  225 and name   HB) (segid "   B" and resid  225 and name   HA) 2.726 0.929 0.929 weight 1.000 ! spec=13C, no=5789, id=5214, vol=1.760000e+05
assign (segid "   B" and resid  222 and name   HA) (segid "   B" and resid  226 and name   HN) 3.016 1.137 1.137 weight 1.000 ! spec=13C, no=5792, id=5216, vol=9.590000e+04
assign (segid "   B" and resid  224 and name   HA) (segid "   B" and resid  226 and name   HN) 2.948 1.086 1.086 weight 1.000 ! spec=13C, no=5794, id=5218, vol=1.100000e+05
assign (segid "   B" and resid  226 and name   HA) (segid "   B" and resid  226 and name   HN) 2.273 0.646 0.646 weight 1.000 ! spec=13C, no=5797, id=5221, vol=5.230000e+05
assign (segid "   B" and resid  226 and name   HA) (segid "   B" and resid  225 and name   HA) 2.775 0.963 0.963 weight 1.000 ! spec=13C, no=5800, id=5224, vol=1.580000e+05
assign (segid "   B" and resid  226 and name   HA) (segid "   B" and resid  225 and name   HB) 3.278 1.344 1.344 weight 1.000 ! spec=13C, no=5801, id=5225, vol=5.810000e+04
assign (segid "   B" and resid  230 and name  HB2) (segid "   B" and resid  226 and name   HA) 3.431 1.472 1.472 weight 1.000 ! spec=13C, no=5806, id=5229, vol=4.420000e+04
assign (segid "   B" and resid  230 and name  HD2) (segid "   B" and resid  226 and name   HA) 3.705 1.716 1.716 weight 1.000 ! spec=13C, no=5807, id=5230, vol=2.790000e+04
assign (segid "   B" and resid  226 and name  HB2) (segid "   B" and resid  222 and name   HA) 3.359 1.411 1.411 weight 1.000 ! spec=13C, no=5810, id=5233, vol=5.020000e+04
assign (segid "   B" and resid  222 and name  HB2) (segid "   B" and resid  226 and name  HB2) 3.350 1.403 1.403 weight 1.000 ! spec=13C, no=5811, id=5234, vol=5.100000e+04
assign (segid "   B" and resid  226 and name  HB2) (segid "   B" and resid  223 and name   HA) 3.338 1.392 1.392 weight 1.000 ! spec=13C, no=5812, id=5235, vol=5.220000e+04
assign (segid "   B" and resid  226 and name  HB2) (segid "   B" and resid  225 and name   HB) 3.070 1.178 1.178 weight 1.000 ! spec=13C, no=5814, id=5237, vol=8.610000e+04
assign (segid "   B" and resid  226 and name  HB2) (segid "   B" and resid  226 and name   HA) 2.849 1.014 1.014 weight 1.000 ! spec=13C, no=5815, id=5238, vol=1.350000e+05
assign (segid "   B" and resid  223 and name   HA) (segid "   B" and resid  227 and name   HN) 5.367 3.600 3.600 weight 1.000 ! spec=13C, no=5817, id=5239, vol=3.020000e+03
assign (segid "   B" and resid  224 and name   HA) (segid "   B" and resid  227 and name   HN) 3.258 1.327 1.327 weight 1.000 ! spec=13C, no=5818, id=5240, vol=6.030000e+04
assign (segid "   B" and resid  226 and name  HB2) (segid "   B" and resid  227 and name   HN) 3.284 1.348 1.348 weight 1.000 ! spec=13C, no=5821, id=5243, vol=5.750000e+04
assign (segid "   B" and resid  227 and name   HA) (segid "   B" and resid  227 and name   HN) 2.222 0.617 0.617 weight 1.000 ! spec=13C, no=5822, id=5244, vol=5.990000e+05
assign (segid "   B" and resid  227 and name HD12) (segid "   B" and resid  227 and name   HN) 3.170 1.256 1.256 weight 1.000 ! spec=13C, no=5825, id=5247, vol=7.110000e+04
assign (segid "   B" and resid  227 and name   HG) (segid "   B" and resid  227 and name   HN) 2.971 1.103 1.103 weight 1.000 ! spec=13C, no=5826, id=5248, vol=1.050000e+05
assign (segid "   B" and resid  227 and name HD12) (segid "   B" and resid  227 and name   HA) 2.726 0.929 0.929 weight 1.000 ! spec=13C, no=5833, id=5254, vol=1.760000e+05
assign (segid "   B" and resid  227 and name   HG) (segid "   B" and resid  227 and name   HA) 2.068 0.534 0.534 weight 1.000 ! spec=13C, no=5834, id=5255, vol=9.230000e+05
assign (segid "   B" and resid  226 and name   HA) (segid "   B" and resid  227 and name  HB2) 2.897 1.049 1.049 weight 1.000 ! spec=13C, no=5839, id=5260, vol=1.220000e+05
assign (segid "   B" and resid  227 and name  HB2) (segid "   B" and resid  227 and name   HA) 2.256 0.636 0.636 weight 1.000 ! spec=13C, no=5840, id=5261, vol=5.470000e+05
assign (segid "   B" and resid  227 and name  HB2) (segid "   B" and resid  227 and name   HG) 2.196 0.603 0.603 weight 1.000 ! spec=13C, no=5844, id=5264, vol=6.430000e+05
assign (segid "   B" and resid  227 and name  HB2) (segid "   B" and resid  228 and name   HN) 6.469 5.232 5.232 weight 1.000 ! spec=13C, no=5846, id=5266, vol=9.840000e+02
assign (segid "   B" and resid  227 and name HD12) (segid "   B" and resid  228 and name   HN) 3.051 1.163 1.163 weight 1.000 ! spec=13C, no=5847, id=5267, vol=8.950000e+04
assign (segid "   B" and resid  227 and name   HG) (segid "   B" and resid  228 and name   HN) 2.842 1.009 1.009 weight 1.000 ! spec=13C, no=5849, id=5269, vol=1.370000e+05
assign (segid "   B" and resid  230 and name   HA) (segid "   B" and resid  229 and name   HN) 3.617 1.636 1.636 weight 1.000 ! spec=13C, no=5853, id=5273, vol=3.220000e+04
assign (segid "   B" and resid  229 and name  HB2) (segid "   B" and resid  229 and name   HA) 2.793 0.975 0.975 weight 1.000 ! spec=13C, no=5855, id=5274, vol=1.520000e+05
assign (segid "   B" and resid  229 and name  HG2) (segid "   B" and resid  229 and name   HA) 2.480 0.769 0.769 weight 1.000 ! spec=13C, no=5863, id=5281, vol=3.100000e+05
assign (segid "   B" and resid  229 and name  HG2) (segid "   B" and resid  229 and name  HB2) 3.139 1.232 1.232 weight 1.000 ! spec=13C, no=5864, id=5282, vol=7.540000e+04
assign (segid "   B" and resid  229 and name  HB2) (segid "   B" and resid  230 and name   HN) 3.469 1.504 1.504 weight 1.000 ! spec=13C, no=5868, id=5285, vol=4.140000e+04
assign (segid "   B" and resid  229 and name  HG2) (segid "   B" and resid  230 and name   HN) 3.698 1.710 1.710 weight 1.000 ! spec=13C, no=5869, id=5286, vol=2.820000e+04
assign (segid "   B" and resid  230 and name  HD2) (segid "   B" and resid  230 and name   HN) 8.087 8.087 8.174 weight 1.000 ! spec=13C, no=5872, id=5289, vol=2.580000e+02
assign (segid "   B" and resid  230 and name   HA) (segid "   B" and resid  225 and name   HA) 2.546 0.810 0.810 weight 1.000 ! spec=13C, no=5874, id=5291, vol=2.650000e+05
assign (segid "   B" and resid  225 and name   HB) (segid "   B" and resid  230 and name   HA) 5.906 4.360 4.360 weight 1.000 ! spec=13C, no=5875, id=5292, vol=1.700000e+03
assign (segid "   B" and resid  230 and name   HA) (segid "   B" and resid  226 and name   HA) 2.597 0.843 0.843 weight 1.000 ! spec=13C, no=5876, id=5293, vol=2.350000e+05
assign (segid "   B" and resid  227 and name   HA) (segid "   B" and resid  230 and name   HA) 3.346 1.400 1.400 weight 1.000 ! spec=13C, no=5877, id=5294, vol=5.140000e+04
assign (segid "   B" and resid  230 and name   HA) (segid "   B" and resid  229 and name   HA) 3.756 1.763 1.763 weight 1.000 ! spec=13C, no=5878, id=5295, vol=2.570000e+04
assign (segid "   B" and resid  230 and name  HD2) (segid "   B" and resid  230 and name   HA) 3.465 1.501 1.501 weight 1.000 ! spec=13C, no=5881, id=5297, vol=4.170000e+04
assign (segid "   B" and resid  230 and name  HG2) (segid "   B" and resid  230 and name   HA) 3.789 1.794 1.794 weight 1.000 ! spec=13C, no=5882, id=5298, vol=2.440000e+04
assign (segid "   B" and resid  231 and name   HA) (segid "   B" and resid  230 and name   HA) 3.290 1.353 1.353 weight 1.000 ! spec=13C, no=5883, id=5299, vol=5.690000e+04
assign (segid "   B" and resid  230 and name  HB2) (segid "   B" and resid  229 and name   HA) 2.766 0.957 0.957 weight 1.000 ! spec=13C, no=5885, id=5301, vol=1.610000e+05
assign (segid "   B" and resid  230 and name  HB2) (segid "   B" and resid  230 and name   HA) 4.647 2.700 2.700 weight 1.000 ! spec=13C, no=5886, id=5302, vol=7.160000e+03
assign (segid "   B" and resid  230 and name  HD2) (segid "   B" and resid  230 and name  HB2) 3.730 1.739 1.739 weight 1.000 ! spec=13C, no=5888, id=5303, vol=2.680000e+04
assign (segid "   B" and resid  230 and name  HE2) (segid "   B" and resid  230 and name  HB2) 3.953 1.954 1.954 weight 1.000 ! spec=13C, no=5889, id=5304, vol=1.890000e+04
assign (segid "   B" and resid  230 and name  HG2) (segid "   B" and resid  230 and name  HB2) 2.409 0.726 0.726 weight 1.000 ! spec=13C, no=5890, id=5305, vol=3.690000e+05
assign (segid "   B" and resid  230 and name  HE2) (segid "   B" and resid  230 and name  HD2) 3.541 1.567 1.567 weight 1.000 ! spec=13C, no=5894, id=5308, vol=3.660000e+04
assign (segid "   B" and resid  230 and name  HG2) (segid "   B" and resid  230 and name  HD2) 2.463 0.758 0.758 weight 1.000 ! spec=13C, no=5895, id=5309, vol=3.230000e+05
assign (segid "   B" and resid  230 and name  HE2) (segid "   B" and resid  226 and name   HA) 2.453 0.752 0.752 weight 1.000 ! spec=13C, no=5896, id=5310, vol=3.310000e+05
assign (segid "   B" and resid  230 and name  HE2) (segid "   B" and resid  227 and name   HA) 2.425 0.735 0.735 weight 1.000 ! spec=13C, no=5897, id=5311, vol=3.550000e+05
assign (segid "   B" and resid  230 and name  HG2) (segid "   B" and resid  230 and name  HE2) 3.134 1.228 1.228 weight 1.000 ! spec=13C, no=5901, id=5314, vol=7.610000e+04
assign (segid "   B" and resid  230 and name  HG2) (segid "   B" and resid  226 and name   HA) 2.274 0.646 0.646 weight 1.000 ! spec=13C, no=5903, id=5316, vol=5.220000e+05
assign (segid "   B" and resid  226 and name  HB2) (segid "   B" and resid  230 and name  HG2) 4.476 2.504 2.504 weight 1.000 ! spec=13C, no=5904, id=5317, vol=8.970000e+03
assign (segid "   B" and resid  230 and name  HG2) (segid "   B" and resid  227 and name   HA) 2.125 0.565 0.565 weight 1.000 ! spec=13C, no=5905, id=5318, vol=7.830000e+05
assign (segid "   B" and resid  230 and name  HG2) (segid "   B" and resid  229 and name   HA) 2.799 0.979 0.979 weight 1.000 ! spec=13C, no=5906, id=5319, vol=1.500000e+05
assign (segid "   B" and resid  225 and name   HA) (segid "   B" and resid  231 and name   HN) 2.728 0.930 0.930 weight 1.000 ! spec=13C, no=5913, id=5325, vol=1.750000e+05
assign (segid "   B" and resid  225 and name   HB) (segid "   B" and resid  231 and name   HN) 3.439 1.478 1.478 weight 1.000 ! spec=13C, no=5914, id=5326, vol=4.360000e+04
assign (segid "   B" and resid  230 and name  HB2) (segid "   B" and resid  231 and name   HN) 3.756 1.763 1.763 weight 1.000 ! spec=13C, no=5917, id=5329, vol=2.570000e+04
assign (segid "   B" and resid  231 and name   HA) (segid "   B" and resid  231 and name   HN) 2.220 0.616 0.616 weight 1.000 ! spec=13C, no=5918, id=5330, vol=6.020000e+05
assign (segid "   B" and resid  231 and name HD12) (segid "   B" and resid  231 and name   HN) 2.502 0.783 0.783 weight 1.000 ! spec=13C, no=5921, id=5333, vol=2.940000e+05
assign (segid "   B" and resid  231 and name HD12) (segid "   B" and resid  231 and name   HA) 3.319 1.377 1.377 weight 1.000 ! spec=13C, no=5926, id=5337, vol=5.400000e+04
assign (segid "   B" and resid  232 and name   HA) (segid "   B" and resid  231 and name   HA) 2.668 0.890 0.890 weight 1.000 ! spec=13C, no=5929, id=5340, vol=2.000000e+05
assign (segid "   B" and resid  232 and name   HB) (segid "   B" and resid  231 and name   HA) 3.357 1.409 1.409 weight 1.000 ! spec=13C, no=5930, id=5341, vol=5.040000e+04
assign (segid "   B" and resid  235 and name  HG2) (segid "   B" and resid  231 and name   HA) 4.258 2.267 2.267 weight 1.000 ! spec=13C, no=5932, id=5343, vol=1.210000e+04
assign (segid "   B" and resid  231 and name  HB2) (segid "   B" and resid  224 and name   HA) 2.588 0.837 0.837 weight 1.000 ! spec=13C, no=5933, id=5344, vol=2.400000e+05
assign (segid "   B" and resid  224 and name  HB2) (segid "   B" and resid  231 and name  HB2) 3.049 1.162 1.162 weight 1.000 ! spec=13C, no=5934, id=5345, vol=8.980000e+04
assign (segid "   B" and resid  231 and name  HB2) (segid "   B" and resid  225 and name   HA) 3.081 1.186 1.186 weight 1.000 ! spec=13C, no=5935, id=5346, vol=8.440000e+04
assign (segid "   B" and resid  225 and name   HB) (segid "   B" and resid  231 and name  HB2) 3.152 1.242 1.242 weight 1.000 ! spec=13C, no=5936, id=5347, vol=7.360000e+04
assign (segid "   B" and resid  231 and name  HB2) (segid "   B" and resid  230 and name   HA) 3.554 1.579 1.579 weight 1.000 ! spec=13C, no=5937, id=5348, vol=3.580000e+04
assign (segid "   B" and resid  231 and name  HB2) (segid "   B" and resid  231 and name   HA) 3.086 1.190 1.190 weight 1.000 ! spec=13C, no=5938, id=5349, vol=8.360000e+04
assign (segid "   B" and resid  231 and name HD12) (segid "   B" and resid  231 and name  HB2) 1.598 0.319 0.319 weight 1.000 ! spec=13C, no=5941, id=5351, vol=4.340000e+06
assign (segid "   B" and resid  231 and name  HB2) (segid "   B" and resid  231 and name   HG) 2.099 0.551 0.551 weight 1.000 ! spec=13C, no=5942, id=5352, vol=8.440000e+05
assign (segid "   B" and resid  235 and name  HB2) (segid "   B" and resid  231 and name  HB2) 2.551 0.813 0.813 weight 1.000 ! spec=13C, no=5943, id=5353, vol=2.620000e+05
assign (segid "   B" and resid  231 and name   HA) (segid "   B" and resid  232 and name   HN) 2.538 0.805 0.805 weight 1.000 ! spec=13C, no=5945, id=5355, vol=2.700000e+05
assign (segid "   B" and resid  231 and name HD12) (segid "   B" and resid  232 and name   HN) 2.733 0.934 0.934 weight 1.000 ! spec=13C, no=5947, id=5357, vol=1.730000e+05
assign (segid "   B" and resid  231 and name   HG) (segid "   B" and resid  232 and name   HN) 3.812 1.817 1.817 weight 1.000 ! spec=13C, no=5948, id=5358, vol=2.350000e+04
assign (segid "   B" and resid  232 and name   HB) (segid "   B" and resid  232 and name   HN) 2.230 0.622 0.622 weight 1.000 ! spec=13C, no=5950, id=5360, vol=5.860000e+05
assign (segid "   B" and resid  235 and name   HA) (segid "   B" and resid  232 and name   HN) 3.431 1.472 1.472 weight 1.000 ! spec=13C, no=5951, id=5361, vol=4.420000e+04
assign (segid "   B" and resid  232 and name   HB) (segid "   B" and resid  232 and name   HA) 2.182 0.595 0.595 weight 1.000 ! spec=13C, no=5956, id=5365, vol=6.690000e+05
assign (segid "   B" and resid  233 and name   HA) (segid "   B" and resid  232 and name   HA) 3.318 1.376 1.376 weight 1.000 ! spec=13C, no=5957, id=5366, vol=5.410000e+04
assign (segid "   B" and resid  233 and name   HA) (segid "   B" and resid  232 and name   HB) 3.309 1.368 1.368 weight 1.000 ! spec=13C, no=5961, id=5369, vol=5.500000e+04
assign (segid "   B" and resid  233 and name  HB2) (segid "   B" and resid  232 and name   HB) 4.069 2.069 2.069 weight 1.000 ! spec=13C, no=5962, id=5370, vol=1.590000e+04
assign (segid "   B" and resid  234 and name   HA) (segid "   B" and resid  232 and name   HB) 4.104 2.105 2.105 weight 1.000 ! spec=13C, no=5963, id=5371, vol=1.510000e+04
assign (segid "   B" and resid  232 and name   HB) (segid "   B" and resid  233 and name   HN) 2.138 0.571 0.571 weight 1.000 ! spec=13C, no=5966, id=5374, vol=7.550000e+05
assign (segid "   B" and resid  234 and name   HA) (segid "   B" and resid  233 and name   HN) 3.673 1.686 1.686 weight 1.000 ! spec=13C, no=5969, id=5377, vol=2.940000e+04
assign (segid "   B" and resid  234 and name   HA) (segid "   B" and resid  233 and name   HA) 4.197 2.202 2.202 weight 1.000 ! spec=13C, no=5973, id=5380, vol=1.320000e+04
assign (segid "   B" and resid  236 and name   HA) (segid "   B" and resid  233 and name   HA) 3.508 1.538 1.538 weight 1.000 ! spec=13C, no=5974, id=5381, vol=3.870000e+04
assign (segid "   B" and resid  236 and name   HB) (segid "   B" and resid  233 and name   HA) 2.448 0.749 0.749 weight 1.000 ! spec=13C, no=5975, id=5382, vol=3.350000e+05
assign (segid "   B" and resid  237 and name   HA) (segid "   B" and resid  233 and name   HA) 3.326 1.383 1.383 weight 1.000 ! spec=13C, no=5976, id=5383, vol=5.330000e+04
assign (segid "   B" and resid  233 and name  HB2) (segid "   B" and resid  232 and name   HA) 2.901 1.052 1.052 weight 1.000 ! spec=13C, no=5978, id=5385, vol=1.210000e+05
assign (segid "   B" and resid  233 and name  HB2) (segid "   B" and resid  233 and name   HA) 2.796 0.977 0.977 weight 1.000 ! spec=13C, no=5980, id=5387, vol=1.510000e+05
assign (segid "   B" and resid  232 and name   HB) (segid "   B" and resid  234 and name   HN) 2.142 0.574 0.574 weight 1.000 ! spec=13C, no=5985, id=5391, vol=7.470000e+05
assign (segid "   B" and resid  235 and name   HA) (segid "   B" and resid  234 and name   HN) 3.975 1.975 1.975 weight 1.000 ! spec=13C, no=5991, id=5397, vol=1.830000e+04
assign (segid "   B" and resid  234 and name   HA) (segid "   B" and resid  233 and name  HB2) 3.585 1.606 1.606 weight 1.000 ! spec=13C, no=5993, id=5399, vol=3.400000e+04
assign (segid "   B" and resid  234 and name  HB2) (segid "   B" and resid  234 and name   HA) 2.480 0.769 0.769 weight 1.000 ! spec=13C, no=5995, id=5400, vol=3.100000e+05
assign (segid "   B" and resid  232 and name   HA) (segid "   B" and resid  234 and name  HB2) 4.422 2.444 2.444 weight 1.000 ! spec=13C, no=5999, id=5404, vol=9.650000e+03
assign (segid "   B" and resid  234 and name  HB2) (segid "   B" and resid  232 and name   HB) 1.971 0.486 0.486 weight 1.000 ! spec=13C, no=6000, id=5405, vol=1.230000e+06
assign (segid "   B" and resid  233 and name   HA) (segid "   B" and resid  234 and name  HB2) 4.235 2.242 2.242 weight 1.000 ! spec=13C, no=6001, id=5406, vol=1.250000e+04
assign (segid "   B" and resid  234 and name  HG2) (segid "   B" and resid  234 and name   HA) 3.696 1.708 1.708 weight 1.000 ! spec=13C, no=6006, id=5410, vol=2.830000e+04
assign (segid "   B" and resid  234 and name  HG2) (segid "   B" and resid  234 and name  HB2) 2.100 0.551 0.551 weight 1.000 ! spec=13C, no=6007, id=5411, vol=8.420000e+05
assign (segid "   B" and resid  235 and name   HA) (segid "   B" and resid  234 and name  HG2) 5.666 4.013 4.013 weight 1.000 ! spec=13C, no=6009, id=5412, vol=2.180000e+03
assign (segid "   B" and resid  235 and name  HB2) (segid "   B" and resid  234 and name  HG2) 4.557 2.595 2.595 weight 1.000 ! spec=13C, no=6010, id=5413, vol=8.060000e+03
assign (segid "   B" and resid  235 and name  HG2) (segid "   B" and resid  234 and name  HG2) 3.181 1.265 1.265 weight 1.000 ! spec=13C, no=6011, id=5414, vol=6.960000e+04
assign (segid "   B" and resid  232 and name   HA) (segid "   B" and resid  235 and name   HN) 3.041 1.156 1.156 weight 1.000 ! spec=13C, no=6012, id=5415, vol=9.130000e+04
assign (segid "   B" and resid  232 and name   HB) (segid "   B" and resid  235 and name   HN) 2.418 0.731 0.731 weight 1.000 ! spec=13C, no=6013, id=5416, vol=3.610000e+05
assign (segid "   B" and resid  233 and name   HA) (segid "   B" and resid  235 and name   HN) 2.930 1.073 1.073 weight 1.000 ! spec=13C, no=6014, id=5417, vol=1.140000e+05
assign (segid "   B" and resid  236 and name   HA) (segid "   B" and resid  235 and name   HN) 3.374 1.423 1.423 weight 1.000 ! spec=13C, no=6021, id=5424, vol=4.890000e+04
assign (segid "   B" and resid  236 and name   HB) (segid "   B" and resid  235 and name   HN) 2.599 0.844 0.844 weight 1.000 ! spec=13C, no=6022, id=5425, vol=2.340000e+05
assign (segid "   B" and resid  235 and name   HA) (segid "   B" and resid  234 and name  HB2) 2.480 0.769 0.769 weight 1.000 ! spec=13C, no=6024, id=5427, vol=3.100000e+05
assign (segid "   B" and resid  235 and name  HG2) (segid "   B" and resid  235 and name   HA) 3.536 1.563 1.563 weight 1.000 ! spec=13C, no=6028, id=5430, vol=3.690000e+04
assign (segid "   B" and resid  235 and name  HB2) (segid "   B" and resid  231 and name   HA) 2.632 0.866 0.866 weight 1.000 ! spec=13C, no=6030, id=5432, vol=2.170000e+05
assign (segid "   B" and resid  231 and name HD12) (segid "   B" and resid  235 and name  HB2) 3.744 1.752 1.752 weight 1.000 ! spec=13C, no=6032, id=5434, vol=2.620000e+04
assign (segid "   B" and resid  232 and name   HA) (segid "   B" and resid  235 and name  HB2) 2.684 0.900 0.900 weight 1.000 ! spec=13C, no=6035, id=5437, vol=1.930000e+05
assign (segid "   B" and resid  232 and name   HB) (segid "   B" and resid  235 and name  HB2) 3.254 1.323 1.323 weight 1.000 ! spec=13C, no=6036, id=5438, vol=6.080000e+04
assign (segid "   B" and resid  234 and name   HA) (segid "   B" and resid  235 and name  HB2) 4.052 2.052 2.052 weight 1.000 ! spec=13C, no=6037, id=5439, vol=1.630000e+04
assign (segid "   B" and resid  235 and name  HB2) (segid "   B" and resid  235 and name   HA) 3.045 1.159 1.159 weight 1.000 ! spec=13C, no=6038, id=5440, vol=9.050000e+04
assign (segid "   B" and resid  235 and name  HG2) (segid "   B" and resid  235 and name  HB2) 3.096 1.198 1.198 weight 1.000 ! spec=13C, no=6040, id=5441, vol=8.200000e+04
assign (segid "   B" and resid  233 and name  HB2) (segid "   B" and resid  236 and name   HN) 3.396 1.442 1.442 weight 1.000 ! spec=13C, no=6048, id=5448, vol=4.700000e+04
assign (segid "   B" and resid  234 and name   HA) (segid "   B" and resid  236 and name   HN) 4.065 2.065 2.065 weight 1.000 ! spec=13C, no=6049, id=5449, vol=1.600000e+04
assign (segid "   B" and resid  237 and name   HA) (segid "   B" and resid  236 and name   HN) 3.926 1.927 1.927 weight 1.000 ! spec=13C, no=6054, id=5454, vol=1.970000e+04
assign (segid "   B" and resid  231 and name HD12) (segid "   B" and resid  236 and name   HA) 3.328 1.384 1.384 weight 1.000 ! spec=13C, no=6057, id=5457, vol=5.310000e+04
assign (segid "   B" and resid  236 and name   HA) (segid "   B" and resid  235 and name   HA) 3.610 1.629 1.629 weight 1.000 ! spec=13C, no=6058, id=5458, vol=3.260000e+04
assign (segid "   B" and resid  236 and name   HA) (segid "   B" and resid  235 and name  HB2) 3.311 1.370 1.370 weight 1.000 ! spec=13C, no=6059, id=5459, vol=5.480000e+04
assign (segid "   B" and resid  236 and name   HB) (segid "   B" and resid  236 and name   HA) 2.985 1.114 1.114 weight 1.000 ! spec=13C, no=6061, id=5460, vol=1.020000e+05
assign (segid "   B" and resid  237 and name   HA) (segid "   B" and resid  236 and name   HA) 3.319 1.377 1.377 weight 1.000 ! spec=13C, no=6062, id=5461, vol=5.400000e+04
assign (segid "   B" and resid  233 and name  HB2) (segid "   B" and resid  236 and name   HB) 4.307 2.319 2.319 weight 1.000 ! spec=13C, no=6065, id=5464, vol=1.130000e+04
assign (segid "   B" and resid  235 and name   HA) (segid "   B" and resid  236 and name   HB) 3.293 1.355 1.355 weight 1.000 ! spec=13C, no=6066, id=5465, vol=5.660000e+04
assign (segid "   B" and resid  237 and name   HA) (segid "   B" and resid  236 and name   HB) 2.726 0.929 0.929 weight 1.000 ! spec=13C, no=6069, id=5467, vol=1.760000e+05
assign (segid "   B" and resid  233 and name   HA) (segid "   B" and resid  237 and name   HN) 3.079 1.185 1.185 weight 1.000 ! spec=13C, no=6071, id=5469, vol=8.460000e+04
assign (segid "   B" and resid  233 and name  HB2) (segid "   B" and resid  237 and name   HN) 4.406 2.427 2.427 weight 1.000 ! spec=13C, no=6072, id=5470, vol=9.860000e+03
assign (segid "   B" and resid  236 and name   HB) (segid "   B" and resid  237 and name   HN) 2.014 0.507 0.507 weight 1.000 ! spec=13C, no=6074, id=5472, vol=1.080000e+06
assign (segid "   B" and resid  237 and name  HB2) (segid "   B" and resid  237 and name   HA) 2.708 0.917 0.917 weight 1.000 ! spec=13C, no=6080, id=5477, vol=1.830000e+05
assign (segid "   B" and resid  238 and name   HA) (segid "   B" and resid  237 and name   HA) 3.075 1.182 1.182 weight 1.000 ! spec=13C, no=6081, id=5478, vol=8.540000e+04
assign (segid "   B" and resid  240 and name   HA) (segid "   B" and resid  237 and name   HA) 4.012 2.012 2.012 weight 1.000 ! spec=13C, no=6082, id=5479, vol=1.730000e+04
assign (segid "   B" and resid  237 and name  HB2) (segid "   B" and resid  233 and name   HA) 3.198 1.278 1.278 weight 1.000 ! spec=13C, no=6084, id=5481, vol=6.750000e+04
assign (segid "   B" and resid  238 and name  HG2) (segid "   B" and resid  237 and name  HB2) 2.882 1.038 1.038 weight 1.000 ! spec=13C, no=6089, id=5485, vol=1.260000e+05
assign (segid "   B" and resid  234 and name   HA) (segid "   B" and resid  238 and name   HN) 3.592 1.613 1.613 weight 1.000 ! spec=13C, no=6090, id=5486, vol=3.360000e+04
assign (segid "   B" and resid  236 and name   HA) (segid "   B" and resid  238 and name   HN) 3.579 1.602 1.602 weight 1.000 ! spec=13C, no=6091, id=5487, vol=3.430000e+04
assign (segid "   B" and resid  236 and name   HB) (segid "   B" and resid  238 and name   HN) 3.900 1.901 1.901 weight 1.000 ! spec=13C, no=6092, id=5488, vol=2.050000e+04
assign (segid "   B" and resid  237 and name   HA) (segid "   B" and resid  238 and name   HN) 3.457 1.493 1.493 weight 1.000 ! spec=13C, no=6093, id=5489, vol=4.230000e+04
assign (segid "   B" and resid  239 and name   HA) (segid "   B" and resid  238 and name   HN) 3.530 1.557 1.557 weight 1.000 ! spec=13C, no=6097, id=5493, vol=3.730000e+04
assign (segid "   B" and resid  238 and name   HA) (segid "   B" and resid  237 and name  HB2) 3.221 1.297 1.297 weight 1.000 ! spec=13C, no=6099, id=5495, vol=6.460000e+04
assign (segid "   B" and resid  238 and name  HG2) (segid "   B" and resid  238 and name   HA) 3.086 1.190 1.190 weight 1.000 ! spec=13C, no=6101, id=5496, vol=8.360000e+04
assign (segid "   B" and resid  241 and name  HD2) (segid "   B" and resid  238 and name   HA) 2.758 0.951 0.951 weight 1.000 ! spec=13C, no=6105, id=5500, vol=1.640000e+05
assign (segid "   B" and resid  238 and name   HA) (segid "   B" and resid  241 and name  HG2) 2.644 0.874 0.874 weight 1.000 ! spec=13C, no=6106, id=5501, vol=2.110000e+05
assign (segid "   B" and resid  238 and name  HG2) (segid "   B" and resid  234 and name   HA) 5.141 3.303 3.303 weight 1.000 ! spec=13C, no=6107, id=5502, vol=3.910000e+03
assign (segid "   B" and resid  236 and name   HA) (segid "   B" and resid  238 and name  HG2) 3.654 1.669 1.669 weight 1.000 ! spec=13C, no=6110, id=5505, vol=3.030000e+04
assign (segid "   B" and resid  237 and name   HA) (segid "   B" and resid  238 and name  HG2) 4.478 2.506 2.506 weight 1.000 ! spec=13C, no=6111, id=5506, vol=8.950000e+03
assign (segid "   B" and resid  238 and name  HG2) (segid "   B" and resid  239 and name   HN) 2.340 0.685 0.685 weight 1.000 ! spec=13C, no=6119, id=5513, vol=4.390000e+05
assign (segid "   B" and resid  240 and name   HA) (segid "   B" and resid  239 and name   HN) 5.361 3.592 3.592 weight 1.000 ! spec=13C, no=6123, id=5517, vol=3.040000e+03
assign (segid "   B" and resid  239 and name   HA) (segid "   B" and resid  238 and name   HA) 3.075 1.182 1.182 weight 1.000 ! spec=13C, no=6125, id=5519, vol=8.540000e+04
assign (segid "   B" and resid  239 and name  HE2) (segid "   B" and resid  239 and name   HA) 2.731 0.932 0.932 weight 1.000 ! spec=13C, no=6128, id=5521, vol=1.740000e+05
assign (segid "   B" and resid  240 and name   HA) (segid "   B" and resid  239 and name   HA) 4.012 2.012 2.012 weight 1.000 ! spec=13C, no=6130, id=5523, vol=1.730000e+04
assign (segid "   B" and resid  242 and name  HB2) (segid "   B" and resid  239 and name   HA) 3.405 1.449 1.449 weight 1.000 ! spec=13C, no=6132, id=5525, vol=4.630000e+04
assign (segid "   B" and resid  239 and name  HB2) (segid "   B" and resid  236 and name   HA) 3.644 1.660 1.660 weight 1.000 ! spec=13C, no=6133, id=5526, vol=3.080000e+04
assign (segid "   B" and resid  238 and name   HA) (segid "   B" and resid  239 and name  HB2) 3.253 1.323 1.323 weight 1.000 ! spec=13C, no=6134, id=5527, vol=6.090000e+04
assign (segid "   B" and resid  239 and name  HB2) (segid "   B" and resid  239 and name   HA) 3.396 1.442 1.442 weight 1.000 ! spec=13C, no=6135, id=5528, vol=4.700000e+04
assign (segid "   B" and resid  239 and name  HE2) (segid "   B" and resid  239 and name  HB2) 2.691 0.905 0.905 weight 1.000 ! spec=13C, no=6137, id=5529, vol=1.900000e+05
assign (segid "   B" and resid  239 and name  HG2) (segid "   B" and resid  239 and name  HB2) 2.646 0.875 0.875 weight 1.000 ! spec=13C, no=6138, id=5530, vol=2.100000e+05
assign (segid "   B" and resid  239 and name  HG2) (segid "   B" and resid  239 and name   HA) 3.063 1.173 1.173 weight 1.000 ! spec=13C, no=6140, id=5532, vol=8.730000e+04
assign (segid "   B" and resid  239 and name  HE2) (segid "   B" and resid  239 and name  HG2) 2.559 0.818 0.818 weight 1.000 ! spec=13C, no=6142, id=5534, vol=2.570000e+05
assign (segid "   B" and resid  259 and name  HE2) (segid "   B" and resid  239 and name  HG2) 4.413 2.434 2.434 weight 1.000 ! spec=13C, no=6144, id=5535, vol=9.770000e+03
assign (segid "   B" and resid  237 and name  HB2) (segid "   B" and resid  240 and name   HN) 2.990 1.117 1.117 weight 1.000 ! spec=13C, no=6151, id=5541, vol=1.010000e+05
assign (segid "   B" and resid  239 and name  HG2) (segid "   B" and resid  240 and name   HN) 5.156 3.323 3.323 weight 1.000 ! spec=13C, no=6155, id=5545, vol=3.840000e+03
assign (segid "   B" and resid  241 and name   HA) (segid "   B" and resid  240 and name   HN) 3.815 1.819 1.819 weight 1.000 ! spec=13C, no=6158, id=5548, vol=2.340000e+04
assign (segid "   B" and resid  240 and name   HA) (segid "   B" and resid  239 and name  HB2) 3.656 1.671 1.671 weight 1.000 ! spec=13C, no=6161, id=5551, vol=3.020000e+04
assign (segid "   B" and resid  241 and name   HA) (segid "   B" and resid  240 and name   HA) 3.530 1.557 1.557 weight 1.000 ! spec=13C, no=6164, id=5553, vol=3.730000e+04
assign (segid "   B" and resid  243 and name  HB2) (segid "   B" and resid  240 and name   HA) 3.153 1.243 1.243 weight 1.000 ! spec=13C, no=6165, id=5554, vol=7.340000e+04
assign (segid "   B" and resid  240 and name   HB) (segid "   B" and resid  237 and name   HA) 2.726 0.929 0.929 weight 1.000 ! spec=13C, no=6166, id=5555, vol=1.760000e+05
assign (segid "   B" and resid  240 and name   HB) (segid "   B" and resid  240 and name   HA) 4.959 3.074 3.074 weight 1.000 ! spec=13C, no=6168, id=5557, vol=4.850000e+03
assign (segid "   B" and resid  241 and name   HA) (segid "   B" and resid  240 and name   HB) 3.241 1.313 1.313 weight 1.000 ! spec=13C, no=6170, id=5558, vol=6.230000e+04
assign (segid "   B" and resid  237 and name  HB2) (segid "   B" and resid  241 and name   HN) 3.469 1.504 1.504 weight 1.000 ! spec=13C, no=6173, id=5561, vol=4.140000e+04
assign (segid "   B" and resid  239 and name   HA) (segid "   B" and resid  241 and name   HN) 4.208 2.213 2.213 weight 1.000 ! spec=13C, no=6175, id=5563, vol=1.300000e+04
assign (segid "   B" and resid  241 and name  HB2) (segid "   B" and resid  241 and name   HA) 2.544 0.809 0.809 weight 1.000 ! spec=13C, no=6185, id=5572, vol=2.660000e+05
assign (segid "   B" and resid  241 and name  HD2) (segid "   B" and resid  241 and name   HA) 2.985 1.114 1.114 weight 1.000 ! spec=13C, no=6186, id=5573, vol=1.020000e+05
assign (segid "   B" and resid  241 and name  HG2) (segid "   B" and resid  241 and name   HA) 3.069 1.178 1.178 weight 1.000 ! spec=13C, no=6187, id=5574, vol=8.630000e+04
assign (segid "   B" and resid  242 and name   HA) (segid "   B" and resid  241 and name   HA) 3.090 1.193 1.193 weight 1.000 ! spec=13C, no=6188, id=5575, vol=8.290000e+04
assign (segid "   B" and resid  240 and name   HA) (segid "   B" and resid  241 and name  HB2) 4.959 3.074 3.074 weight 1.000 ! spec=13C, no=6192, id=5579, vol=4.850000e+03
assign (segid "   B" and resid  241 and name  HB2) (segid "   B" and resid  240 and name   HB) 2.601 0.846 0.846 weight 1.000 ! spec=13C, no=6193, id=5580, vol=2.330000e+05
assign (segid "   B" and resid  241 and name  HG2) (segid "   B" and resid  241 and name  HB2) 1.968 0.484 0.484 weight 1.000 ! spec=13C, no=6197, id=5583, vol=1.240000e+06
assign (segid "   B" and resid  241 and name  HD2) (segid "   B" and resid  241 and name  HB2) 2.741 0.939 0.939 weight 1.000 ! spec=13C, no=6199, id=5585, vol=1.700000e+05
assign (segid "   B" and resid  241 and name  HG2) (segid "   B" and resid  241 and name  HD2) 2.153 0.580 0.580 weight 1.000 ! spec=13C, no=6201, id=5586, vol=7.240000e+05
assign (segid "   B" and resid  242 and name   HA) (segid "   B" and resid  241 and name  HG2) 2.698 0.910 0.910 weight 1.000 ! spec=13C, no=6206, id=5590, vol=1.870000e+05
assign (segid "   B" and resid  242 and name  HG2) (segid "   B" and resid  241 and name  HG2) 2.189 0.599 0.599 weight 1.000 ! spec=13C, no=6208, id=5592, vol=6.550000e+05
assign (segid "   B" and resid  238 and name   HA) (segid "   B" and resid  242 and name   HN) 4.326 2.340 2.340 weight 1.000 ! spec=13C, no=6209, id=5593, vol=1.100000e+04
assign (segid "   B" and resid  241 and name  HG2) (segid "   B" and resid  242 and name   HN) 2.799 0.979 0.979 weight 1.000 ! spec=13C, no=6214, id=5598, vol=1.500000e+05
assign (segid "   B" and resid  242 and name  HB2) (segid "   B" and resid  242 and name   HN) 2.636 0.869 0.869 weight 1.000 ! spec=13C, no=6216, id=5600, vol=2.150000e+05
assign (segid "   B" and resid  242 and name  HG2) (segid "   B" and resid  242 and name   HN) 2.237 0.625 0.625 weight 1.000 ! spec=13C, no=6217, id=5601, vol=5.760000e+05
assign (segid "   B" and resid  243 and name   HA) (segid "   B" and resid  242 and name   HN) 2.980 1.110 1.110 weight 1.000 ! spec=13C, no=6218, id=5602, vol=1.030000e+05
assign (segid "   B" and resid  241 and name  HB2) (segid "   B" and resid  242 and name   HA) 3.128 1.223 1.223 weight 1.000 ! spec=13C, no=6220, id=5604, vol=7.700000e+04
assign (segid "   B" and resid  242 and name  HB2) (segid "   B" and resid  242 and name   HA) 2.849 1.014 1.014 weight 1.000 ! spec=13C, no=6223, id=5606, vol=1.350000e+05
assign (segid "   B" and resid  242 and name  HG2) (segid "   B" and resid  242 and name   HA) 2.197 0.604 0.604 weight 1.000 ! spec=13C, no=6224, id=5607, vol=6.410000e+05
assign (segid "   B" and resid  241 and name   HA) (segid "   B" and resid  242 and name  HB2) 3.971 1.971 1.971 weight 1.000 ! spec=13C, no=6227, id=5610, vol=1.840000e+04
assign (segid "   B" and resid  242 and name  HG2) (segid "   B" and resid  242 and name  HB2) 3.018 1.139 1.139 weight 1.000 ! spec=13C, no=6233, id=5615, vol=9.540000e+04
assign (segid "   B" and resid  241 and name   HA) (segid "   B" and resid  243 and name   HN) 2.975 1.107 1.107 weight 1.000 ! spec=13C, no=6236, id=5617, vol=1.040000e+05
assign (segid "   B" and resid  243 and name   HA) (segid "   B" and resid  242 and name   HA) 3.090 1.193 1.193 weight 1.000 ! spec=13C, no=6242, id=5623, vol=8.290000e+04
assign (segid "   B" and resid  243 and name  HB2) (segid "   B" and resid  243 and name   HA) 3.203 1.282 1.282 weight 1.000 ! spec=13C, no=6244, id=5624, vol=6.680000e+04
assign (segid "   B" and resid  243 and name   HA) (segid "   B" and resid  244 and name   HN) 3.683 1.696 1.696 weight 1.000 ! spec=13C, no=6247, id=5627, vol=2.890000e+04
assign (segid "   B" and resid  244 and name  HB2) (segid "   B" and resid  244 and name   HN) 3.407 1.451 1.451 weight 1.000 ! spec=13C, no=6250, id=5630, vol=4.610000e+04
assign (segid "   B" and resid  245 and name   HB) (segid "   B" and resid  244 and name   HA) 3.578 1.600 1.600 weight 1.000 ! spec=13C, no=6255, id=5634, vol=3.440000e+04
assign (segid "   B" and resid  244 and name  HB2) (segid "   B" and resid  243 and name   HA) 3.950 1.950 1.950 weight 1.000 ! spec=13C, no=6256, id=5635, vol=1.900000e+04
assign (segid "   B" and resid  244 and name  HB2) (segid "   B" and resid  244 and name   HA) 3.010 1.132 1.132 weight 1.000 ! spec=13C, no=6257, id=5636, vol=9.710000e+04
assign (segid "   B" and resid  245 and name   HA) (segid "   B" and resid  244 and name  HB2) 2.948 1.086 1.086 weight 1.000 ! spec=13C, no=6259, id=5637, vol=1.100000e+05
assign (segid "   B" and resid  244 and name  HB2) (segid "   B" and resid  245 and name   HN) 6.390 5.104 5.104 weight 1.000 ! spec=13C, no=6261, id=5639, vol=1.060000e+03
assign (segid "   B" and resid  245 and name   HB) (segid "   B" and resid  245 and name   HN) 3.900 1.901 1.901 weight 1.000 ! spec=13C, no=6263, id=5641, vol=2.050000e+04
assign (segid "   B" and resid  246 and name   HA) (segid "   B" and resid  245 and name   HN) 3.174 1.260 1.260 weight 1.000 ! spec=13C, no=6264, id=5642, vol=7.050000e+04
assign (segid "   B" and resid  251 and name   HB) (segid "   B" and resid  245 and name   HA) 4.781 2.857 2.857 weight 1.000 ! spec=13C, no=6273, id=5650, vol=6.040000e+03
assign (segid "   B" and resid  245 and name   HB) (segid "   B" and resid  245 and name   HA) 2.607 0.849 0.849 weight 1.000 ! spec=13C, no=6275, id=5652, vol=2.300000e+05
assign (segid "   B" and resid  246 and name   HA) (segid "   B" and resid  245 and name   HB) 3.531 1.559 1.559 weight 1.000 ! spec=13C, no=6277, id=5653, vol=3.720000e+04
assign (segid "   B" and resid  245 and name   HA) (segid "   B" and resid  246 and name   HN) 1.810 0.410 0.410 weight 1.000 ! spec=13C, no=6278, id=5654, vol=2.050000e+06
assign (segid "   B" and resid  250 and name  HB2) (segid "   B" and resid  246 and name   HN) 2.561 0.820 0.820 weight 1.000 ! spec=13C, no=6283, id=5659, vol=2.560000e+05
assign (segid "   B" and resid  246 and name   HA) (segid "   B" and resid  245 and name   HA) 4.412 2.433 2.433 weight 1.000 ! spec=13C, no=6286, id=5662, vol=9.780000e+03
assign (segid "   B" and resid  246 and name   HA) (segid "   B" and resid  247 and name  HA1) 4.790 2.869 2.869 weight 1.000 ! spec=13C, no=6290, id=5665, vol=5.970000e+03
assign (segid "   B" and resid  246 and name  HB2) (segid "   B" and resid  245 and name   HA) 3.997 1.997 1.997 weight 1.000 ! spec=13C, no=6291, id=5666, vol=1.770000e+04
assign (segid "   B" and resid  246 and name  HB2) (segid "   B" and resid  246 and name   HA) 3.208 1.286 1.286 weight 1.000 ! spec=13C, no=6292, id=5667, vol=6.620000e+04
assign (segid "   B" and resid  247 and name  HA1) (segid "   B" and resid  246 and name  HB2) 3.258 1.327 1.327 weight 1.000 ! spec=13C, no=6294, id=5668, vol=6.030000e+04
assign (segid "   B" and resid  250 and name   HA) (segid "   B" and resid  246 and name  HB2) 3.459 1.496 1.496 weight 1.000 ! spec=13C, no=6295, id=5669, vol=4.210000e+04
assign (segid "   B" and resid  250 and name  HB2) (segid "   B" and resid  246 and name  HB2) 3.493 1.525 1.525 weight 1.000 ! spec=13C, no=6296, id=5670, vol=3.970000e+04
assign (segid "   B" and resid  250 and name  HG2) (segid "   B" and resid  246 and name  HB2) 5.092 3.241 3.241 weight 1.000 ! spec=13C, no=6297, id=5671, vol=4.140000e+03
assign (segid "   B" and resid  246 and name   HA) (segid "   B" and resid  247 and name   HN) 2.624 0.861 0.861 weight 1.000 ! spec=13C, no=6298, id=5672, vol=2.210000e+05
assign (segid "   B" and resid  249 and name  HA1) (segid "   B" and resid  248 and name   HN) 5.318 3.535 3.535 weight 1.000 ! spec=13C, no=6302, id=5676, vol=3.190000e+03
assign (segid "   B" and resid  247 and name  HA1) (segid "   B" and resid  248 and name   HA) 3.832 1.835 1.835 weight 1.000 ! spec=13C, no=6303, id=5677, vol=2.280000e+04
assign (segid "   B" and resid  249 and name  HA1) (segid "   B" and resid  248 and name   HA) 3.160 1.249 1.249 weight 1.000 ! spec=13C, no=6304, id=5678, vol=7.240000e+04
assign (segid "   B" and resid  247 and name  HA1) (segid "   B" and resid  248 and name  HB2) 7.877 7.756 7.756 weight 1.000 ! spec=13C, no=6305, id=5679, vol=3.020000e+02
assign (segid "   B" and resid  250 and name  HB2) (segid "   B" and resid  248 and name  HB2) 2.842 1.009 1.009 weight 1.000 ! spec=13C, no=6306, id=5680, vol=1.370000e+05
assign (segid "   B" and resid  250 and name  HG2) (segid "   B" and resid  248 and name  HB2) 3.027 1.146 1.146 weight 1.000 ! spec=13C, no=6307, id=5681, vol=9.370000e+04
assign (segid "   B" and resid  250 and name   HA) (segid "   B" and resid  250 and name   HN) 2.321 0.673 0.673 weight 1.000 ! spec=13C, no=6312, id=5686, vol=4.620000e+05
assign (segid "   B" and resid  215 and name   HA) (segid "   B" and resid  250 and name   HA) 2.998 1.123 1.123 weight 1.000 ! spec=13C, no=6315, id=5689, vol=9.940000e+04
assign (segid "   B" and resid  216 and name  HB2) (segid "   B" and resid  250 and name   HA) 2.996 1.122 1.122 weight 1.000 ! spec=13C, no=6317, id=5691, vol=9.970000e+04
assign (segid "   B" and resid  251 and name   HA) (segid "   B" and resid  250 and name   HA) 3.404 1.448 1.448 weight 1.000 ! spec=13C, no=6322, id=5695, vol=4.640000e+04
assign (segid "   B" and resid  251 and name   HB) (segid "   B" and resid  250 and name   HA) 4.028 2.028 2.028 weight 1.000 ! spec=13C, no=6323, id=5696, vol=1.690000e+04
assign (segid "   B" and resid  250 and name  HB2) (segid "   B" and resid  246 and name   HA) 2.790 0.973 0.973 weight 1.000 ! spec=13C, no=6324, id=5697, vol=1.530000e+05
assign (segid "   B" and resid  250 and name  HB2) (segid "   B" and resid  247 and name  HA1) 3.131 1.225 1.225 weight 1.000 ! spec=13C, no=6326, id=5699, vol=7.660000e+04
assign (segid "   B" and resid  249 and name  HA1) (segid "   B" and resid  250 and name  HB2) 3.571 1.594 1.594 weight 1.000 ! spec=13C, no=6327, id=5700, vol=3.480000e+04
assign (segid "   B" and resid  250 and name  HB2) (segid "   B" and resid  250 and name   HA) 2.948 1.086 1.086 weight 1.000 ! spec=13C, no=6328, id=5701, vol=1.100000e+05
assign (segid "   B" and resid  249 and name  HA1) (segid "   B" and resid  250 and name  HG2) 3.957 1.957 1.957 weight 1.000 ! spec=13C, no=6331, id=5703, vol=1.880000e+04
assign (segid "   B" and resid  250 and name  HG2) (segid "   B" and resid  250 and name   HA) 2.244 0.629 0.629 weight 1.000 ! spec=13C, no=6332, id=5704, vol=5.650000e+05
assign (segid "   B" and resid  250 and name  HG2) (segid "   B" and resid  250 and name  HB2) 2.401 0.720 0.720 weight 1.000 ! spec=13C, no=6333, id=5705, vol=3.770000e+05
assign (segid "   B" and resid  250 and name  HG2) (segid "   B" and resid  251 and name   HN) 3.541 1.567 1.567 weight 1.000 ! spec=13C, no=6341, id=5712, vol=3.660000e+04
assign (segid "   B" and resid  251 and name   HA) (segid "   B" and resid  245 and name   HA) 3.060 1.170 1.170 weight 1.000 ! spec=13C, no=6345, id=5716, vol=8.790000e+04
assign (segid "   B" and resid  251 and name   HB) (segid "   B" and resid  251 and name   HA) 3.224 1.299 1.299 weight 1.000 ! spec=13C, no=6349, id=5719, vol=6.430000e+04
assign (segid "   B" and resid  252 and name   HA) (segid "   B" and resid  251 and name   HA) 3.479 1.513 1.513 weight 1.000 ! spec=13C, no=6350, id=5720, vol=4.070000e+04
assign (segid "   B" and resid  251 and name   HB) (segid "   B" and resid  217 and name   HA) 5.406 3.653 3.653 weight 1.000 ! spec=13C, no=6352, id=5722, vol=2.890000e+03
assign (segid "   B" and resid  217 and name  HB2) (segid "   B" and resid  251 and name   HB) 2.943 1.083 1.083 weight 1.000 ! spec=13C, no=6353, id=5723, vol=1.110000e+05
assign (segid "   B" and resid  251 and name   HB) (segid "   B" and resid  245 and name   HB) 3.461 1.497 1.497 weight 1.000 ! spec=13C, no=6355, id=5725, vol=4.200000e+04
assign (segid "   B" and resid  251 and name   HB) (segid "   B" and resid  252 and name   HN) 3.319 1.377 1.377 weight 1.000 ! spec=13C, no=6361, id=5730, vol=5.400000e+04
assign (segid "   B" and resid  213 and name  HA1) (segid "   B" and resid  252 and name   HA) 3.815 1.819 1.819 weight 1.000 ! spec=13C, no=6364, id=5733, vol=2.340000e+04
assign (segid "   B" and resid  253 and name  HB2) (segid "   B" and resid  252 and name   HA) 2.718 0.923 0.923 weight 1.000 ! spec=13C, no=6371, id=5739, vol=1.790000e+05
assign (segid "   B" and resid  252 and name  HB2) (segid "   B" and resid  214 and name   HA) 3.508 1.538 1.538 weight 1.000 ! spec=13C, no=6372, id=5740, vol=3.870000e+04
assign (segid "   B" and resid  252 and name  HB2) (segid "   B" and resid  251 and name   HA) 3.443 1.482 1.482 weight 1.000 ! spec=13C, no=6374, id=5742, vol=4.330000e+04
assign (segid "   B" and resid  252 and name  HB2) (segid "   B" and resid  252 and name   HA) 2.995 1.121 1.121 weight 1.000 ! spec=13C, no=6375, id=5743, vol=1.000000e+05
assign (segid "   B" and resid  254 and name   HA) (segid "   B" and resid  253 and name   HN) 3.690 1.702 1.702 weight 1.000 ! spec=13C, no=6384, id=5751, vol=2.860000e+04
assign (segid "   B" and resid  254 and name  HB2) (segid "   B" and resid  253 and name   HN) 2.939 1.080 1.080 weight 1.000 ! spec=13C, no=6385, id=5752, vol=1.120000e+05
assign (segid "   B" and resid  253 and name   HA) (segid "   B" and resid  252 and name   HA) 2.544 0.809 0.809 weight 1.000 ! spec=13C, no=6387, id=5754, vol=2.660000e+05
assign (segid "   B" and resid  252 and name  HB2) (segid "   B" and resid  253 and name   HA) 8.803 8.803 9.687 weight 1.000 ! spec=13C, no=6388, id=5755, vol=1.550000e+02
assign (segid "   B" and resid  253 and name  HB2) (segid "   B" and resid  253 and name   HA) 2.348 0.689 0.689 weight 1.000 ! spec=13C, no=6390, id=5756, vol=4.300000e+05
assign (segid "   B" and resid  256 and name   HA) (segid "   B" and resid  253 and name   HA) 2.909 1.058 1.058 weight 1.000 ! spec=13C, no=6392, id=5758, vol=1.190000e+05
assign (segid "   B" and resid  253 and name  HB2) (segid "   B" and resid  204 and name  HB2) 4.511 2.544 2.544 weight 1.000 ! spec=13C, no=6394, id=5760, vol=8.560000e+03
assign (segid "   B" and resid  256 and name  HB2) (segid "   B" and resid  253 and name  HB2) 2.713 0.920 0.920 weight 1.000 ! spec=13C, no=6398, id=5763, vol=1.810000e+05
assign (segid "   B" and resid  201 and name   HA) (segid "   B" and resid  253 and name  HD1) 4.077 2.078 2.078 weight 1.000 ! spec=13C, no=6399, id=5764, vol=1.570000e+04
assign (segid "   B" and resid  204 and name  HB2) (segid "   B" and resid  253 and name  HD1) 3.601 1.621 1.621 weight 1.000 ! spec=13C, no=6400, id=5765, vol=3.310000e+04
assign (segid "   B" and resid  253 and name   HA) (segid "   B" and resid  253 and name  HD1) 3.554 1.579 1.579 weight 1.000 ! spec=13C, no=6401, id=5766, vol=3.580000e+04
assign (segid "   B" and resid  253 and name  HB2) (segid "   B" and resid  253 and name  HD1) 3.231 1.305 1.305 weight 1.000 ! spec=13C, no=6402, id=5767, vol=6.340000e+04
assign (segid "   B" and resid  254 and name   HA) (segid "   B" and resid  253 and name  HD1) 3.681 1.694 1.694 weight 1.000 ! spec=13C, no=6403, id=5768, vol=2.900000e+04
assign (segid "   B" and resid  254 and name  HG2) (segid "   B" and resid  253 and name  HD1) 3.766 1.773 1.773 weight 1.000 ! spec=13C, no=6404, id=5769, vol=2.530000e+04
assign (segid "   B" and resid  257 and name   HB) (segid "   B" and resid  253 and name  HD1) 3.444 1.483 1.483 weight 1.000 ! spec=13C, no=6405, id=5770, vol=4.320000e+04
assign (segid "   B" and resid  208 and name  HB2) (segid "   B" and resid  253 and name  HE2) 3.470 1.505 1.505 weight 1.000 ! spec=13C, no=6406, id=5771, vol=4.130000e+04
assign (segid "   B" and resid  213 and name  HA1) (segid "   B" and resid  253 and name  HE2) 4.502 2.533 2.533 weight 1.000 ! spec=13C, no=6407, id=5772, vol=8.670000e+03
assign (segid "   B" and resid  214 and name   HA) (segid "   B" and resid  253 and name  HE2) 4.208 2.213 2.213 weight 1.000 ! spec=13C, no=6408, id=5773, vol=1.300000e+04
assign (segid "   B" and resid  215 and name   HA) (segid "   B" and resid  253 and name  HE2) 2.646 0.875 0.875 weight 1.000 ! spec=13C, no=6409, id=5774, vol=2.100000e+05
assign (segid "   B" and resid  215 and name   HB) (segid "   B" and resid  253 and name  HE2) 3.818 1.822 1.822 weight 1.000 ! spec=13C, no=6410, id=5775, vol=2.330000e+04
assign (segid "   B" and resid  253 and name  HB2) (segid "   B" and resid  253 and name  HE2) 3.279 1.344 1.344 weight 1.000 ! spec=13C, no=6411, id=5776, vol=5.800000e+04
assign (segid "   B" and resid  252 and name  HB2) (segid "   B" and resid  254 and name   HN) 3.690 1.702 1.702 weight 1.000 ! spec=13C, no=6414, id=5779, vol=2.860000e+04
assign (segid "   B" and resid  255 and name   HA) (segid "   B" and resid  254 and name   HN) 3.746 1.754 1.754 weight 1.000 ! spec=13C, no=6420, id=5785, vol=2.610000e+04
assign (segid "   B" and resid  255 and name  HB2) (segid "   B" and resid  254 and name   HN) 4.012 2.012 2.012 weight 1.000 ! spec=13C, no=6421, id=5786, vol=1.730000e+04
assign (segid "   B" and resid  254 and name  HB2) (segid "   B" and resid  254 and name   HA) 3.241 1.313 1.313 weight 1.000 ! spec=13C, no=6425, id=5789, vol=6.220000e+04
assign (segid "   B" and resid  254 and name  HG2) (segid "   B" and resid  254 and name   HA) 3.599 1.619 1.619 weight 1.000 ! spec=13C, no=6426, id=5790, vol=3.320000e+04
assign (segid "   B" and resid  257 and name   HA) (segid "   B" and resid  254 and name   HA) 3.629 1.646 1.646 weight 1.000 ! spec=13C, no=6428, id=5792, vol=3.160000e+04
assign (segid "   B" and resid  213 and name  HA1) (segid "   B" and resid  254 and name  HG2) 3.821 1.825 1.825 weight 1.000 ! spec=13C, no=6435, id=5798, vol=2.320000e+04
assign (segid "   B" and resid  253 and name   HA) (segid "   B" and resid  254 and name  HG2) 3.878 1.880 1.880 weight 1.000 ! spec=13C, no=6436, id=5799, vol=2.120000e+04
assign (segid "   B" and resid  254 and name  HG2) (segid "   B" and resid  254 and name  HB2) 2.067 0.534 0.534 weight 1.000 ! spec=13C, no=6438, id=5801, vol=9.250000e+05
assign (segid "   B" and resid  252 and name   HA) (segid "   B" and resid  255 and name   HN) 3.355 1.407 1.407 weight 1.000 ! spec=13C, no=6440, id=5802, vol=5.060000e+04
assign (segid "   B" and resid  252 and name  HB2) (segid "   B" and resid  255 and name   HN) 7.002 6.129 6.129 weight 1.000 ! spec=13C, no=6441, id=5803, vol=6.120000e+02
assign (segid "   B" and resid  253 and name   HA) (segid "   B" and resid  255 and name   HN) 3.771 1.777 1.777 weight 1.000 ! spec=13C, no=6442, id=5804, vol=2.510000e+04
assign (segid "   B" and resid  254 and name   HA) (segid "   B" and resid  255 and name   HN) 4.202 2.207 2.207 weight 1.000 ! spec=13C, no=6443, id=5805, vol=1.310000e+04
assign (segid "   B" and resid  254 and name  HG2) (segid "   B" and resid  255 and name   HN) 3.960 1.960 1.960 weight 1.000 ! spec=13C, no=6445, id=5807, vol=1.870000e+04
assign (segid "   B" and resid  255 and name  HB2) (segid "   B" and resid  255 and name   HA) 3.120 1.217 1.217 weight 1.000 ! spec=13C, no=6452, id=5813, vol=7.820000e+04
assign (segid "   B" and resid  256 and name   HA) (segid "   B" and resid  255 and name   HA) 2.909 1.058 1.058 weight 1.000 ! spec=13C, no=6454, id=5815, vol=1.190000e+05
assign (segid "   B" and resid  258 and name  HB2) (segid "   B" and resid  255 and name   HA) 2.183 0.596 0.596 weight 1.000 ! spec=13C, no=6456, id=5817, vol=6.670000e+05
assign (segid "   B" and resid  258 and name  HG2) (segid "   B" and resid  255 and name   HA) 1.979 0.490 0.490 weight 1.000 ! spec=13C, no=6457, id=5818, vol=1.200000e+06
assign (segid "   B" and resid  252 and name  HB2) (segid "   B" and resid  255 and name  HB2) 3.317 1.375 1.375 weight 1.000 ! spec=13C, no=6458, id=5819, vol=5.420000e+04
assign (segid "   B" and resid  256 and name  HB2) (segid "   B" and resid  255 and name  HB2) 2.675 0.894 0.894 weight 1.000 ! spec=13C, no=6464, id=5824, vol=1.970000e+05
assign (segid "   B" and resid  255 and name  HG2) (segid "   B" and resid  255 and name   HA) 3.601 1.621 1.621 weight 1.000 ! spec=13C, no=6465, id=5825, vol=3.310000e+04
assign (segid "   B" and resid  255 and name  HG2) (segid "   B" and resid  255 and name  HB2) 2.059 0.530 0.530 weight 1.000 ! spec=13C, no=6466, id=5826, vol=9.460000e+05
assign (segid "   B" and resid  253 and name  HB2) (segid "   B" and resid  256 and name   HN) 3.324 1.381 1.381 weight 1.000 ! spec=13C, no=6469, id=5828, vol=5.350000e+04
assign (segid "   B" and resid  254 and name   HA) (segid "   B" and resid  256 and name   HN) 3.316 1.374 1.374 weight 1.000 ! spec=13C, no=6470, id=5829, vol=5.430000e+04
assign (segid "   B" and resid  255 and name   HA) (segid "   B" and resid  256 and name   HN) 3.420 1.462 1.462 weight 1.000 ! spec=13C, no=6471, id=5830, vol=4.510000e+04
assign (segid "   B" and resid  257 and name   HA) (segid "   B" and resid  256 and name   HN) 3.986 1.986 1.986 weight 1.000 ! spec=13C, no=6476, id=5835, vol=1.800000e+04
assign (segid "   B" and resid  256 and name   HA) (segid "   B" and resid  255 and name  HB2) 2.796 0.977 0.977 weight 1.000 ! spec=13C, no=6478, id=5837, vol=1.510000e+05
assign (segid "   B" and resid  259 and name   HA) (segid "   B" and resid  256 and name   HA) 3.249 1.320 1.320 weight 1.000 ! spec=13C, no=6482, id=5840, vol=6.130000e+04
assign (segid "   B" and resid  259 and name  HG2) (segid "   B" and resid  256 and name   HA) 3.971 1.971 1.971 weight 1.000 ! spec=13C, no=6484, id=5842, vol=1.840000e+04
assign (segid "   B" and resid  256 and name  HB2) (segid "   B" and resid  256 and name   HA) 2.572 0.827 0.827 weight 1.000 ! spec=13C, no=6487, id=5845, vol=2.490000e+05
assign (segid "   B" and resid  257 and name   HA) (segid "   B" and resid  256 and name  HB2) 3.595 1.616 1.616 weight 1.000 ! spec=13C, no=6489, id=5846, vol=3.340000e+04
assign (segid "   B" and resid  220 and name HD12) (segid "   B" and resid  256 and name  HD1) 3.519 1.548 1.548 weight 1.000 ! spec=13C, no=6490, id=5847, vol=3.800000e+04
assign (segid "   B" and resid  252 and name   HA) (segid "   B" and resid  256 and name  HD1) 2.917 1.064 1.064 weight 1.000 ! spec=13C, no=6491, id=5848, vol=1.170000e+05
assign (segid "   B" and resid  253 and name  HB2) (segid "   B" and resid  256 and name  HD1) 3.989 1.989 1.989 weight 1.000 ! spec=13C, no=6493, id=5850, vol=1.790000e+04
assign (segid "   B" and resid  256 and name   HA) (segid "   B" and resid  256 and name  HD1) 2.701 0.912 0.912 weight 1.000 ! spec=13C, no=6494, id=5851, vol=1.860000e+05
assign (segid "   B" and resid  256 and name  HB2) (segid "   B" and resid  256 and name  HD1) 4.482 2.511 2.511 weight 1.000 ! spec=13C, no=6495, id=5852, vol=8.900000e+03
assign (segid "   B" and resid  239 and name   HA) (segid "   B" and resid  256 and name  HE2) 2.922 1.067 1.067 weight 1.000 ! spec=13C, no=6496, id=5853, vol=1.160000e+05
assign (segid "   B" and resid  239 and name  HB2) (segid "   B" and resid  256 and name  HE2) 3.692 1.704 1.704 weight 1.000 ! spec=13C, no=6497, id=5854, vol=2.850000e+04
assign (segid "   B" and resid  239 and name  HE2) (segid "   B" and resid  256 and name  HE2) 3.627 1.644 1.644 weight 1.000 ! spec=13C, no=6498, id=5855, vol=3.170000e+04
assign (segid "   B" and resid  239 and name  HG2) (segid "   B" and resid  256 and name  HE2) 4.032 2.032 2.032 weight 1.000 ! spec=13C, no=6499, id=5856, vol=1.680000e+04
assign (segid "   B" and resid  259 and name  HB2) (segid "   B" and resid  256 and name  HE2) 3.267 1.334 1.334 weight 1.000 ! spec=13C, no=6501, id=5858, vol=5.930000e+04
assign (segid "   B" and resid  259 and name  HE2) (segid "   B" and resid  256 and name  HE2) 4.032 2.032 2.032 weight 1.000 ! spec=13C, no=6502, id=5859, vol=1.680000e+04
assign (segid "   B" and resid  259 and name  HG2) (segid "   B" and resid  256 and name  HE2) 4.008 2.008 2.008 weight 1.000 ! spec=13C, no=6503, id=5860, vol=1.740000e+04
assign (segid "   B" and resid  253 and name   HA) (segid "   B" and resid  257 and name   HN) 3.601 1.621 1.621 weight 1.000 ! spec=13C, no=6504, id=5861, vol=3.310000e+04
assign (segid "   B" and resid  255 and name   HA) (segid "   B" and resid  257 and name   HN) 2.934 1.076 1.076 weight 1.000 ! spec=13C, no=6506, id=5863, vol=1.130000e+05
assign (segid "   B" and resid  256 and name   HA) (segid "   B" and resid  257 and name   HN) 2.414 0.728 0.728 weight 1.000 ! spec=13C, no=6507, id=5864, vol=3.650000e+05
assign (segid "   B" and resid  256 and name  HB2) (segid "   B" and resid  257 and name   HN) 2.092 0.547 0.547 weight 1.000 ! spec=13C, no=6508, id=5865, vol=8.600000e+05
assign (segid "   B" and resid  258 and name   HA) (segid "   B" and resid  257 and name   HN) 3.039 1.155 1.155 weight 1.000 ! spec=13C, no=6511, id=5868, vol=9.150000e+04
assign (segid "   B" and resid  257 and name   HA) (segid "   B" and resid  200 and name   HB) 3.778 1.784 1.784 weight 1.000 ! spec=13C, no=6512, id=5869, vol=2.480000e+04
assign (segid "   B" and resid  257 and name   HA) (segid "   B" and resid  256 and name   HA) 2.913 1.061 1.061 weight 1.000 ! spec=13C, no=6513, id=5870, vol=1.180000e+05
assign (segid "   B" and resid  258 and name   HA) (segid "   B" and resid  257 and name   HA) 3.208 1.286 1.286 weight 1.000 ! spec=13C, no=6517, id=5873, vol=6.620000e+04
assign (segid "   B" and resid  260 and name   HA) (segid "   B" and resid  257 and name   HA) 3.810 1.814 1.814 weight 1.000 ! spec=13C, no=6518, id=5874, vol=2.360000e+04
assign (segid "   B" and resid  260 and name  HG2) (segid "   B" and resid  257 and name   HA) 3.322 1.379 1.379 weight 1.000 ! spec=13C, no=6520, id=5876, vol=5.370000e+04
assign (segid "   B" and resid  257 and name   HB) (segid "   B" and resid  254 and name   HA) 3.001 1.126 1.126 weight 1.000 ! spec=13C, no=6521, id=5877, vol=9.870000e+04
assign (segid "   B" and resid  257 and name   HB) (segid "   B" and resid  257 and name   HA) 3.489 1.522 1.522 weight 1.000 ! spec=13C, no=6524, id=5880, vol=4.000000e+04
assign (segid "   B" and resid  255 and name   HA) (segid "   B" and resid  258 and name   HN) 3.420 1.462 1.462 weight 1.000 ! spec=13C, no=6528, id=5883, vol=4.510000e+04
assign (segid "   B" and resid  258 and name  HG2) (segid "   B" and resid  258 and name   HN) 2.155 0.581 0.581 weight 1.000 ! spec=13C, no=6534, id=5889, vol=7.200000e+05
assign (segid "   B" and resid  259 and name   HA) (segid "   B" and resid  258 and name   HN) 3.507 1.537 1.537 weight 1.000 ! spec=13C, no=6535, id=5890, vol=3.880000e+04
assign (segid "   B" and resid  259 and name  HB2) (segid "   B" and resid  258 and name   HN) 4.941 3.051 3.051 weight 1.000 ! spec=13C, no=6536, id=5891, vol=4.960000e+03
assign (segid "   B" and resid  258 and name   HA) (segid "   B" and resid  257 and name   HB) 3.060 1.170 1.170 weight 1.000 ! spec=13C, no=6539, id=5894, vol=8.790000e+04
assign (segid "   B" and resid  258 and name  HB2) (segid "   B" and resid  258 and name   HA) 2.689 0.904 0.904 weight 1.000 ! spec=13C, no=6541, id=5895, vol=1.910000e+05
assign (segid "   B" and resid  258 and name  HG2) (segid "   B" and resid  258 and name   HA) 2.809 0.986 0.986 weight 1.000 ! spec=13C, no=6542, id=5896, vol=1.470000e+05
assign (segid "   B" and resid  259 and name   HA) (segid "   B" and resid  258 and name   HA) 3.237 1.310 1.310 weight 1.000 ! spec=13C, no=6543, id=5897, vol=6.270000e+04
assign (segid "   B" and resid  261 and name   HB) (segid "   B" and resid  258 and name   HA) 3.567 1.591 1.591 weight 1.000 ! spec=13C, no=6544, id=5898, vol=3.500000e+04
assign (segid "   B" and resid  259 and name  HB2) (segid "   B" and resid  258 and name  HB2) 2.504 0.783 0.783 weight 1.000 ! spec=13C, no=6551, id=5904, vol=2.930000e+05
assign (segid "   B" and resid  259 and name  HG2) (segid "   B" and resid  258 and name  HB2) 3.190 1.272 1.272 weight 1.000 ! spec=13C, no=6552, id=5905, vol=6.850000e+04
assign (segid "   B" and resid  257 and name   HA) (segid "   B" and resid  258 and name  HG2) 3.933 1.933 1.933 weight 1.000 ! spec=13C, no=6556, id=5909, vol=1.950000e+04
assign (segid "   B" and resid  255 and name   HA) (segid "   B" and resid  259 and name   HN) 3.746 1.754 1.754 weight 1.000 ! spec=13C, no=6560, id=5912, vol=2.610000e+04
assign (segid "   B" and resid  256 and name  HB2) (segid "   B" and resid  259 and name   HN) 3.815 1.819 1.819 weight 1.000 ! spec=13C, no=6562, id=5914, vol=2.340000e+04
assign (segid "   B" and resid  257 and name   HA) (segid "   B" and resid  259 and name   HN) 4.082 2.083 2.083 weight 1.000 ! spec=13C, no=6563, id=5915, vol=1.560000e+04
assign (segid "   B" and resid  258 and name  HG2) (segid "   B" and resid  259 and name   HN) 2.520 0.794 0.794 weight 1.000 ! spec=13C, no=6566, id=5918, vol=2.820000e+05
assign (segid "   B" and resid  259 and name   HA) (segid "   B" and resid  259 and name   HN) 3.631 1.648 1.648 weight 1.000 ! spec=13C, no=6567, id=5919, vol=3.150000e+04
assign (segid "   B" and resid  259 and name  HG2) (segid "   B" and resid  259 and name   HN) 3.860 1.863 1.863 weight 1.000 ! spec=13C, no=6569, id=5921, vol=2.180000e+04
assign (segid "   B" and resid  260 and name   HA) (segid "   B" and resid  259 and name   HN) 6.208 4.818 4.818 weight 1.000 ! spec=13C, no=6570, id=5922, vol=1.260000e+03
assign (segid "   B" and resid  259 and name   HA) (segid "   B" and resid  258 and name  HB2) 2.334 0.681 0.681 weight 1.000 ! spec=13C, no=6572, id=5924, vol=4.460000e+05
assign (segid "   B" and resid  259 and name  HG2) (segid "   B" and resid  259 and name   HA) 3.543 1.569 1.569 weight 1.000 ! spec=13C, no=6576, id=5927, vol=3.650000e+04
assign (segid "   B" and resid  262 and name  HB2) (segid "   B" and resid  259 and name   HA) 3.000 1.125 1.125 weight 1.000 ! spec=13C, no=6579, id=5930, vol=9.900000e+04
assign (segid "   B" and resid  256 and name  HB2) (segid "   B" and resid  259 and name  HB2) 3.569 1.592 1.592 weight 1.000 ! spec=13C, no=6581, id=5932, vol=3.490000e+04
assign (segid "   B" and resid  258 and name   HA) (segid "   B" and resid  259 and name  HB2) 3.409 1.452 1.452 weight 1.000 ! spec=13C, no=6582, id=5933, vol=4.600000e+04
assign (segid "   B" and resid  259 and name  HB2) (segid "   B" and resid  259 and name   HA) 3.789 1.794 1.794 weight 1.000 ! spec=13C, no=6583, id=5934, vol=2.440000e+04
assign (segid "   B" and resid  259 and name  HE2) (segid "   B" and resid  259 and name  HB2) 4.785 2.862 2.862 weight 1.000 ! spec=13C, no=6585, id=5935, vol=6.010000e+03
assign (segid "   B" and resid  260 and name   HA) (segid "   B" and resid  259 and name  HB2) 3.276 1.341 1.341 weight 1.000 ! spec=13C, no=6587, id=5937, vol=5.840000e+04
assign (segid "   B" and resid  260 and name  HB2) (segid "   B" and resid  259 and name  HB2) 3.857 1.860 1.860 weight 1.000 ! spec=13C, no=6588, id=5938, vol=2.190000e+04
assign (segid "   B" and resid  260 and name  HG2) (segid "   B" and resid  259 and name  HB2) 2.549 0.812 0.812 weight 1.000 ! spec=13C, no=6590, id=5940, vol=2.630000e+05
assign (segid "   B" and resid  259 and name  HG2) (segid "   B" and resid  259 and name  HB2) 2.581 0.833 0.833 weight 1.000 ! spec=13C, no=6592, id=5942, vol=2.440000e+05
assign (segid "   B" and resid  259 and name  HE2) (segid "   B" and resid  239 and name  HE2) 2.559 0.818 0.818 weight 1.000 ! spec=13C, no=6595, id=5944, vol=2.570000e+05
assign (segid "   B" and resid  259 and name  HE2) (segid "   B" and resid  259 and name   HA) 3.017 1.138 1.138 weight 1.000 ! spec=13C, no=6596, id=5945, vol=9.560000e+04
assign (segid "   B" and resid  259 and name  HE2) (segid "   B" and resid  259 and name  HG2) 4.462 2.489 2.489 weight 1.000 ! spec=13C, no=6599, id=5947, vol=9.140000e+03
assign (segid "   B" and resid  256 and name   HA) (segid "   B" and resid  260 and name   HN) 2.421 0.733 0.733 weight 1.000 ! spec=13C, no=6600, id=5948, vol=3.580000e+05
assign (segid "   B" and resid  259 and name   HA) (segid "   B" and resid  260 and name   HN) 3.592 1.613 1.613 weight 1.000 ! spec=13C, no=6603, id=5951, vol=3.360000e+04
assign (segid "   B" and resid  259 and name  HG2) (segid "   B" and resid  260 and name   HN) 3.900 1.901 1.901 weight 1.000 ! spec=13C, no=6605, id=5953, vol=2.050000e+04
assign (segid "   B" and resid  261 and name   HA) (segid "   B" and resid  260 and name   HN) 3.398 1.443 1.443 weight 1.000 ! spec=13C, no=6610, id=5958, vol=4.690000e+04
assign (segid "   B" and resid  260 and name   HA) (segid "   B" and resid  259 and name   HA) 3.237 1.310 1.310 weight 1.000 ! spec=13C, no=6611, id=5959, vol=6.270000e+04
assign (segid "   B" and resid  260 and name  HE2) (segid "   B" and resid  260 and name   HA) 3.465 1.501 1.501 weight 1.000 ! spec=13C, no=6615, id=5962, vol=4.170000e+04
assign (segid "   B" and resid  200 and name   HB) (segid "   B" and resid  260 and name  HB2) 3.039 1.154 1.154 weight 1.000 ! spec=13C, no=6618, id=5965, vol=9.160000e+04
assign (segid "   B" and resid  260 and name  HB2) (segid "   B" and resid  257 and name   HA) 3.869 1.871 1.871 weight 1.000 ! spec=13C, no=6619, id=5966, vol=2.150000e+04
assign (segid "   B" and resid  257 and name   HB) (segid "   B" and resid  260 and name  HB2) 3.725 1.735 1.735 weight 1.000 ! spec=13C, no=6620, id=5967, vol=2.700000e+04
assign (segid "   B" and resid  259 and name   HA) (segid "   B" and resid  260 and name  HB2) 3.457 1.493 1.493 weight 1.000 ! spec=13C, no=6621, id=5968, vol=4.230000e+04
assign (segid "   B" and resid  260 and name  HB2) (segid "   B" and resid  260 and name   HA) 3.210 1.288 1.288 weight 1.000 ! spec=13C, no=6622, id=5969, vol=6.600000e+04
assign (segid "   B" and resid  260 and name  HE2) (segid "   B" and resid  260 and name  HB2) 2.831 1.002 1.002 weight 1.000 ! spec=13C, no=6624, id=5970, vol=1.400000e+05
assign (segid "   B" and resid  261 and name   HA) (segid "   B" and resid  260 and name  HB2) 3.059 1.169 1.169 weight 1.000 ! spec=13C, no=6626, id=5972, vol=8.810000e+04
assign (segid "   B" and resid  261 and name   HB) (segid "   B" and resid  260 and name  HB2) 3.398 1.443 1.443 weight 1.000 ! spec=13C, no=6627, id=5973, vol=4.690000e+04
assign (segid "   B" and resid  256 and name   HA) (segid "   B" and resid  260 and name  HG2) 4.307 2.319 2.319 weight 1.000 ! spec=13C, no=6628, id=5974, vol=1.130000e+04
assign (segid "   B" and resid  256 and name  HB2) (segid "   B" and resid  260 and name  HG2) 3.239 1.311 1.311 weight 1.000 ! spec=13C, no=6629, id=5975, vol=6.250000e+04
assign (segid "   B" and resid  259 and name   HA) (segid "   B" and resid  260 and name  HG2) 3.424 1.465 1.465 weight 1.000 ! spec=13C, no=6631, id=5977, vol=4.480000e+04
assign (segid "   B" and resid  260 and name  HE2) (segid "   B" and resid  239 and name  HE2) 2.787 0.971 0.971 weight 1.000 ! spec=13C, no=6637, id=5982, vol=1.540000e+05
assign (segid "   B" and resid  259 and name   HA) (segid "   B" and resid  260 and name  HE2) 3.421 1.463 1.463 weight 1.000 ! spec=13C, no=6638, id=5983, vol=4.500000e+04
assign (segid "   B" and resid  260 and name  HE2) (segid "   B" and resid  259 and name  HB2) 2.440 0.744 0.744 weight 1.000 ! spec=13C, no=6639, id=5984, vol=3.420000e+05
assign (segid "   B" and resid  259 and name  HG2) (segid "   B" and resid  260 and name  HE2) 8.196 8.196 8.397 weight 1.000 ! spec=13C, no=6640, id=5985, vol=2.380000e+02
assign (segid "   B" and resid  260 and name  HG2) (segid "   B" and resid  261 and name   HN) 3.621 1.639 1.639 weight 1.000 ! spec=13C, no=6649, id=5993, vol=3.200000e+04
assign (segid "   B" and resid  261 and name   HA) (segid "   B" and resid  261 and name   HN) 2.597 0.843 0.843 weight 1.000 ! spec=13C, no=6650, id=5994, vol=2.350000e+05
assign (segid "   B" and resid  261 and name   HB) (segid "   B" and resid  261 and name   HN) 3.546 1.572 1.572 weight 1.000 ! spec=13C, no=6651, id=5995, vol=3.630000e+04
assign (segid "   B" and resid  262 and name   HA) (segid "   B" and resid  261 and name   HN) 5.588 3.903 3.903 weight 1.000 ! spec=13C, no=6652, id=5996, vol=2.370000e+03
assign (segid "   B" and resid  261 and name   HA) (segid "   B" and resid  191 and name  HE2) 4.181 2.185 2.185 weight 1.000 ! spec=13C, no=6654, id=5998, vol=1.350000e+04
assign (segid "   B" and resid  261 and name   HA) (segid "   B" and resid  192 and name   HA) 2.311 0.667 0.667 weight 1.000 ! spec=13C, no=6655, id=5999, vol=4.740000e+05
assign (segid "   B" and resid  261 and name   HA) (segid "   B" and resid  260 and name   HA) 3.213 1.290 1.290 weight 1.000 ! spec=13C, no=6656, id=6000, vol=6.560000e+04
assign (segid "   B" and resid  261 and name   HB) (segid "   B" and resid  192 and name   HA) 2.242 0.628 0.628 weight 1.000 ! spec=13C, no=6661, id=6004, vol=5.680000e+05
assign (segid "   B" and resid  261 and name   HB) (segid "   B" and resid  196 and name  HB2) 3.110 1.209 1.209 weight 1.000 ! spec=13C, no=6664, id=6007, vol=7.980000e+04
assign (segid "   B" and resid  261 and name   HB) (segid "   B" and resid  261 and name   HA) 4.241 2.248 2.248 weight 1.000 ! spec=13C, no=6666, id=6009, vol=1.240000e+04
assign (segid "   B" and resid  259 and name   HA) (segid "   B" and resid  262 and name   HN) 3.231 1.305 1.305 weight 1.000 ! spec=13C, no=6669, id=6011, vol=6.340000e+04
assign (segid "   B" and resid  260 and name   HA) (segid "   B" and resid  262 and name   HN) 4.016 2.016 2.016 weight 1.000 ! spec=13C, no=6670, id=6012, vol=1.720000e+04
assign (segid "   B" and resid  260 and name  HB2) (segid "   B" and resid  262 and name   HN) 3.802 1.807 1.807 weight 1.000 ! spec=13C, no=6671, id=6013, vol=2.390000e+04
assign (segid "   B" and resid  261 and name   HA) (segid "   B" and resid  262 and name   HN) 3.597 1.617 1.617 weight 1.000 ! spec=13C, no=6672, id=6014, vol=3.330000e+04
assign (segid "   B" and resid  261 and name   HB) (segid "   B" and resid  262 and name   HN) 2.818 0.993 0.993 weight 1.000 ! spec=13C, no=6673, id=6015, vol=1.440000e+05
assign (segid "   B" and resid  262 and name   HA) (segid "   B" and resid  261 and name   HB) 4.457 2.483 2.483 weight 1.000 ! spec=13C, no=6678, id=6020, vol=9.200000e+03
assign (segid "   B" and resid  117 and name  HB2) (segid "   B" and resid  117 and name   HA) 2.739 0.938 0.938 weight 1.000 ! spec=13C, no=6682, id=6022, vol=1.710000e+05
assign (segid "   B" and resid  117 and name  HB1) (segid "   B" and resid  117 and name   HA) 2.799 0.979 0.979 weight 1.000 ! spec=13C, no=6683, id=6023, vol=1.500000e+05
assign (segid "   B" and resid  117 and name  HB1) (segid "   B" and resid  117 and name  HB2) 1.907 0.455 0.455 weight 1.000 ! spec=13C, no=6686, id=6025, vol=1.500000e+06
assign (segid "   B" and resid  118 and name  HB2) (segid "   B" and resid  118 and name   HN) 2.437 0.743 0.743 weight 1.000 ! spec=13C, no=6689, id=6027, vol=3.440000e+05
assign (segid "   B" and resid  118 and name  HB2) (segid "   B" and resid  118 and name   HA) 2.594 0.841 0.841 weight 1.000 ! spec=13C, no=6693, id=6030, vol=2.370000e+05
assign (segid "   B" and resid  118 and name  HB1) (segid "   B" and resid  118 and name   HA) 2.367 0.700 0.700 weight 1.000 ! spec=13C, no=6694, id=6031, vol=4.100000e+05
assign (segid "   B" and resid  118 and name  HB1) (segid "   B" and resid  118 and name  HB2) 1.710 0.365 0.365 weight 1.000 ! spec=13C, no=6698, id=6034, vol=2.890000e+06
assign (segid "   B" and resid  118 and name  HG2) (segid "   B" and resid  118 and name  HB2) 1.754 0.384 0.384 weight 1.000 ! spec=13C, no=6699, id=6035, vol=2.480000e+06
assign (segid "   B" and resid  118 and name  HG2) (segid "   B" and resid  118 and name   HA) 2.622 0.859 0.859 weight 1.000 ! spec=13C, no=6704, id=6039, vol=2.220000e+05
assign (segid "   B" and resid  119 and name   HA) (segid "   B" and resid  119 and name   HN) 2.103 0.553 0.553 weight 1.000 ! spec=13C, no=6708, id=6042, vol=8.350000e+05
assign (segid "   B" and resid  119 and name HD12) (segid "   B" and resid  119 and name  HB2) 1.580 0.312 0.312 weight 1.000 ! spec=13C, no=6714, id=6046, vol=4.640000e+06
assign (segid "   B" and resid  119 and name   HG) (segid "   B" and resid  119 and name   HA) 2.283 0.652 0.652 weight 1.000 ! spec=13C, no=6715, id=6047, vol=5.090000e+05
assign (segid "   B" and resid  119 and name HD12) (segid "   B" and resid  119 and name   HG) 1.891 0.447 0.447 weight 1.000 ! spec=13C, no=6717, id=6049, vol=1.580000e+06
assign (segid "   B" and resid  119 and name HD12) (segid "   B" and resid  119 and name   HA) 2.524 0.796 0.796 weight 1.000 ! spec=13C, no=6719, id=6050, vol=2.790000e+05
assign (segid "   B" and resid  120 and name   HA) (segid "   B" and resid  120 and name HG21) 2.295 0.658 0.658 weight 1.000 ! spec=13C, no=6724, id=6053, vol=4.940000e+05
assign (segid "   B" and resid  122 and name  HB1) (segid "   B" and resid  122 and name   HN) 2.693 0.907 0.907 weight 1.000 ! spec=13C, no=6725, id=6054, vol=1.890000e+05
assign (segid "   B" and resid  122 and name  HB1) (segid "   B" and resid  122 and name   HA) 2.646 0.875 0.875 weight 1.000 ! spec=13C, no=6726, id=6055, vol=2.100000e+05
assign (segid "   B" and resid  122 and name  HB1) (segid "   B" and resid  122 and name  HB2) 1.543 0.298 0.298 weight 1.000 ! spec=13C, no=6728, id=6057, vol=5.350000e+06
assign (segid "   B" and resid  122 and name  HG2) (segid "   B" and resid  122 and name  HB1) 1.968 0.484 0.484 weight 1.000 ! spec=13C, no=6731, id=6059, vol=1.240000e+06
assign (segid "   B" and resid  124 and name HD12) (segid "   B" and resid  124 and name   HB) 1.719 0.369 0.369 weight 1.000 ! spec=13C, no=6735, id=6063, vol=2.800000e+06
assign (segid "   B" and resid  124 and name HG22) (segid "   B" and resid  124 and name HD12) 2.474 0.765 0.765 weight 1.000 ! spec=13C, no=6738, id=6064, vol=3.150000e+05
assign (segid "   B" and resid  124 and name   HA) (segid "   B" and resid  124 and name HG12) 3.296 1.358 1.358 weight 1.000 ! spec=13C, no=6739, id=6065, vol=5.630000e+04
assign (segid "   B" and resid  124 and name HD12) (segid "   B" and resid  124 and name HG12) 2.649 0.877 0.877 weight 1.000 ! spec=13C, no=6741, id=6067, vol=2.090000e+05
assign (segid "   B" and resid  124 and name HG22) (segid "   B" and resid  124 and name HG12) 2.747 0.943 0.943 weight 1.000 ! spec=13C, no=6742, id=6068, vol=1.680000e+05
assign (segid "   B" and resid  124 and name HG22) (segid "   B" and resid  124 and name   HB) 2.372 0.703 0.703 weight 1.000 ! spec=13C, no=6743, id=6069, vol=4.050000e+05
assign (segid "   B" and resid  126 and name  HG1) (segid "   B" and resid  126 and name   HN) 2.980 1.110 1.110 weight 1.000 ! spec=13C, no=6748, id=6071, vol=1.030000e+05
assign (segid "   B" and resid  126 and name  HG1) (segid "   B" and resid  126 and name   HA) 2.408 0.725 0.725 weight 1.000 ! spec=13C, no=6749, id=6072, vol=3.700000e+05
assign (segid "   B" and resid  126 and name  HG1) (segid "   B" and resid  126 and name  HB2) 2.166 0.587 0.587 weight 1.000 ! spec=13C, no=6751, id=6074, vol=6.980000e+05
assign (segid "   B" and resid  126 and name  HB1) (segid "   B" and resid  126 and name  HB2) 2.017 0.509 0.509 weight 1.000 ! spec=13C, no=6752, id=6075, vol=1.070000e+06
assign (segid "   B" and resid  126 and name  HG1) (segid "   B" and resid  126 and name  HB1) 1.905 0.454 0.454 weight 1.000 ! spec=13C, no=6755, id=6077, vol=1.510000e+06
assign (segid "   B" and resid  126 and name  HG2) (segid "   B" and resid  126 and name  HB1) 2.288 0.654 0.654 weight 1.000 ! spec=13C, no=6756, id=6078, vol=5.030000e+05
assign (segid "   B" and resid  126 and name  HG1) (segid "   B" and resid  126 and name  HG2) 1.766 0.390 0.390 weight 1.000 ! spec=13C, no=6757, id=6079, vol=2.380000e+06
assign (segid "   B" and resid  128 and name  HG1) (segid "   B" and resid  128 and name  HB2) 2.201 0.605 0.605 weight 1.000 ! spec=13C, no=6762, id=6083, vol=6.350000e+05
assign (segid "   B" and resid  128 and name  HG1) (segid "   B" and resid  128 and name  HD2) 2.517 0.792 0.792 weight 1.000 ! spec=13C, no=6763, id=6084, vol=2.840000e+05
assign (segid "   B" and resid  128 and name  HG1) (segid "   B" and resid  128 and name  HG2) 1.498 0.280 0.280 weight 1.000 ! spec=13C, no=6764, id=6085, vol=6.390000e+06
assign (segid "   B" and resid  129 and name  HB1) (segid "   B" and resid  129 and name   HN) 2.187 0.598 0.598 weight 1.000 ! spec=13C, no=6768, id=6088, vol=6.590000e+05
assign (segid "   B" and resid  129 and name  HB1) (segid "   B" and resid  129 and name   HA) 2.334 0.681 0.681 weight 1.000 ! spec=13C, no=6769, id=6089, vol=4.460000e+05
assign (segid "   B" and resid  129 and name  HB1) (segid "   B" and resid  129 and name  HB2) 1.532 0.293 0.293 weight 1.000 ! spec=13C, no=6770, id=6090, vol=5.580000e+06
assign (segid "   B" and resid  131 and name  HB1) (segid "   B" and resid  131 and name   HA) 2.943 1.083 1.083 weight 1.000 ! spec=13C, no=6775, id=6094, vol=1.110000e+05
assign (segid "   B" and resid  131 and name   HA) (segid "   B" and resid  131 and name   HZ) 3.415 1.458 1.458 weight 1.000 ! spec=13C, no=6777, id=6095, vol=4.550000e+04
assign (segid "   B" and resid  133 and name HD22) (segid "   B" and resid  133 and name  HB2) 3.095 1.197 1.197 weight 1.000 ! spec=13C, no=6782, id=6100, vol=8.210000e+04
assign (segid "   B" and resid  133 and name HD22) (segid "   B" and resid  133 and name  HB1) 2.856 1.019 1.019 weight 1.000 ! spec=13C, no=6784, id=6101, vol=1.330000e+05
assign (segid "   B" and resid  133 and name   HG) (segid "   B" and resid  133 and name  HB1) 1.956 0.478 0.478 weight 1.000 ! spec=13C, no=6785, id=6102, vol=1.290000e+06
assign (segid "   B" and resid  133 and name   HG) (segid "   B" and resid  133 and name   HA) 3.079 1.185 1.185 weight 1.000 ! spec=13C, no=6786, id=6103, vol=8.470000e+04
assign (segid "   B" and resid  133 and name HD12) (segid "   B" and resid  133 and name   HG) 3.206 1.284 1.284 weight 1.000 ! spec=13C, no=6790, id=6106, vol=6.650000e+04
assign (segid "   B" and resid  133 and name HD22) (segid "   B" and resid  133 and name   HG) 2.609 0.851 0.851 weight 1.000 ! spec=13C, no=6793, id=6108, vol=2.290000e+05
assign (segid "   A" and resid   92 and name   HA) (segid "   B" and resid  134 and name  HE2) 3.182 1.266 1.266 weight 1.000 ! spec=13C, no=6795, id=6109, vol=6.950000e+04
assign (segid "   A" and resid   92 and name  HB2) (segid "   B" and resid  134 and name  HE2) 5.675 4.026 4.026 weight 1.000 ! spec=13C, no=6796, id=6110, vol=2.160000e+03
assign (segid "   B" and resid  134 and name   HA) (segid "   B" and resid  134 and name  HE2) 3.116 1.214 1.214 weight 1.000 ! spec=13C, no=6797, id=6111, vol=7.880000e+04
assign (segid "   B" and resid  135 and name  HB1) (segid "   B" and resid  135 and name   HA) 2.799 0.979 0.979 weight 1.000 ! spec=13C, no=6800, id=6114, vol=1.500000e+05
assign (segid "   B" and resid  136 and name  HE2) (segid "   B" and resid  136 and name   HN) 2.698 0.910 0.910 weight 1.000 ! spec=13C, no=6803, id=6116, vol=1.870000e+05
assign (segid "   B" and resid  137 and name  HB1) (segid "   B" and resid  137 and name   HA) 1.803 0.406 0.406 weight 1.000 ! spec=13C, no=6805, id=6118, vol=2.100000e+06
assign (segid "   B" and resid  139 and name  HB1) (segid "   B" and resid  139 and name   HN) 2.701 0.912 0.912 weight 1.000 ! spec=13C, no=6809, id=6120, vol=1.860000e+05
assign (segid "   B" and resid  139 and name  HB1) (segid "   B" and resid  139 and name  HB2) 2.316 0.670 0.670 weight 1.000 ! spec=13C, no=6811, id=6122, vol=4.680000e+05
assign (segid "   B" and resid  139 and name  HB1) (segid "   B" and resid  139 and name   HA) 2.096 0.549 0.549 weight 1.000 ! spec=13C, no=6812, id=6123, vol=8.520000e+05
assign (segid "   B" and resid  141 and name HG21) (segid "   B" and resid  141 and name   HN) 2.793 0.975 0.975 weight 1.000 ! spec=13C, no=6814, id=6124, vol=1.520000e+05
assign (segid "   B" and resid  141 and name HG21) (segid "   B" and resid  141 and name   HB) 3.387 1.434 1.434 weight 1.000 ! spec=13C, no=6815, id=6125, vol=4.780000e+04
assign (segid "   B" and resid  142 and name HG11) (segid "   B" and resid  142 and name   HA) 2.622 0.859 0.859 weight 1.000 ! spec=13C, no=6818, id=6127, vol=2.220000e+05
assign (segid "   B" and resid  142 and name HG22) (segid "   B" and resid  142 and name   HA) 1.982 0.491 0.491 weight 1.000 ! spec=13C, no=6819, id=6128, vol=1.190000e+06
assign (segid "   B" and resid  142 and name HD12) (segid "   B" and resid  142 and name   HA) 2.610 0.852 0.852 weight 1.000 ! spec=13C, no=6820, id=6129, vol=2.280000e+05
assign (segid "   B" and resid  142 and name HG22) (segid "   B" and resid  142 and name HD12) 2.885 1.041 1.041 weight 1.000 ! spec=13C, no=6821, id=6130, vol=1.250000e+05
assign (segid "   B" and resid  142 and name   HB) (segid "   B" and resid  142 and name HG11) 2.849 1.014 1.014 weight 1.000 ! spec=13C, no=6822, id=6131, vol=1.350000e+05
assign (segid "   B" and resid  142 and name   HB) (segid "   B" and resid  142 and name HG22) 2.357 0.694 0.694 weight 1.000 ! spec=13C, no=6824, id=6133, vol=4.210000e+05
assign (segid "   B" and resid  142 and name HG22) (segid "   B" and resid  142 and name HG11) 2.304 0.664 0.664 weight 1.000 ! spec=13C, no=6826, id=6134, vol=4.820000e+05
assign (segid "   B" and resid  143 and name HG21) (segid "   B" and resid  143 and name   HA) 5.186 3.361 3.361 weight 1.000 ! spec=13C, no=6832, id=6139, vol=3.710000e+03
assign (segid "   B" and resid  143 and name HG21) (segid "   B" and resid  143 and name   HB) 2.229 0.621 0.621 weight 1.000 ! spec=13C, no=6833, id=6140, vol=5.890000e+05
assign (segid "   B" and resid  143 and name  HG1) (segid "   B" and resid  143 and name HG21) 2.796 0.977 0.977 weight 1.000 ! spec=13C, no=6834, id=6141, vol=1.510000e+05
assign (segid "   B" and resid  144 and name HG21) (segid "   B" and resid  144 and name   HB) 2.744 0.941 0.941 weight 1.000 ! spec=13C, no=6837, id=6143, vol=1.690000e+05
assign (segid "   B" and resid  144 and name HG21) (segid "   B" and resid  144 and name   HA) 3.712 1.722 1.722 weight 1.000 ! spec=13C, no=6838, id=6144, vol=2.760000e+04
assign (segid "   B" and resid  145 and name  HG1) (segid "   B" and resid  145 and name   HN) 3.275 1.340 1.340 weight 1.000 ! spec=13C, no=6841, id=6146, vol=5.850000e+04
assign (segid "   B" and resid  145 and name  HG1) (segid "   B" and resid  145 and name   HA) 3.127 1.223 1.223 weight 1.000 ! spec=13C, no=6842, id=6147, vol=7.710000e+04
assign (segid "   B" and resid  145 and name  HG1) (segid "   B" and resid  145 and name  HB2) 2.401 0.720 0.720 weight 1.000 ! spec=13C, no=6843, id=6148, vol=3.770000e+05
assign (segid "   B" and resid  145 and name  HG1) (segid "   B" and resid  145 and name  HD2) 2.102 0.552 0.552 weight 1.000 ! spec=13C, no=6844, id=6149, vol=8.360000e+05
assign (segid "   B" and resid  145 and name  HG1) (segid "   B" and resid  145 and name  HG2) 1.692 0.358 0.358 weight 1.000 ! spec=13C, no=6846, id=6151, vol=3.070000e+06
assign (segid "   B" and resid  145 and name  HG1) (segid "   B" and resid  145 and name  HE2) 2.624 0.861 0.861 weight 1.000 ! spec=13C, no=6849, id=6154, vol=2.210000e+05
assign (segid "   B" and resid  146 and name  HG2) (segid "   B" and resid  146 and name  HB1) 2.586 0.836 0.836 weight 1.000 ! spec=13C, no=6855, id=6158, vol=2.410000e+05
assign (segid "   B" and resid  147 and name HD22) (segid "   B" and resid  147 and name  HB2) 2.620 0.858 0.858 weight 1.000 ! spec=13C, no=6859, id=6162, vol=2.230000e+05
assign (segid "   B" and resid  147 and name   HA) (segid "   B" and resid  147 and name  HB1) 3.547 1.573 1.573 weight 1.000 ! spec=13C, no=6860, id=6163, vol=3.620000e+04
assign (segid "   B" and resid  147 and name HD12) (segid "   B" and resid  147 and name  HB1) 2.276 0.648 0.648 weight 1.000 ! spec=13C, no=6862, id=6164, vol=5.190000e+05
assign (segid "   B" and resid  147 and name HD22) (segid "   B" and resid  147 and name  HB1) 4.104 2.105 2.105 weight 1.000 ! spec=13C, no=6863, id=6165, vol=1.510000e+04
assign (segid "   B" and resid  147 and name   HA) (segid "   B" and resid  147 and name   HG) 2.926 1.070 1.070 weight 1.000 ! spec=13C, no=6864, id=6166, vol=1.150000e+05
assign (segid "   B" and resid  147 and name HD12) (segid "   B" and resid  147 and name   HG) 2.119 0.561 0.561 weight 1.000 ! spec=13C, no=6865, id=6167, vol=7.960000e+05
assign (segid "   B" and resid  147 and name HD22) (segid "   B" and resid  147 and name   HG) 2.842 1.009 1.009 weight 1.000 ! spec=13C, no=6866, id=6168, vol=1.370000e+05
assign (segid "   B" and resid  147 and name HD12) (segid "   B" and resid  147 and name   HA) 2.913 1.061 1.061 weight 1.000 ! spec=13C, no=6867, id=6169, vol=1.180000e+05
assign (segid "   B" and resid  147 and name HD22) (segid "   B" and resid  147 and name HD12) 3.129 1.224 1.224 weight 1.000 ! spec=13C, no=6870, id=6171, vol=7.680000e+04
assign (segid "   B" and resid  147 and name HD22) (segid "   B" and resid  147 and name   HA) 3.192 1.274 1.274 weight 1.000 ! spec=13C, no=6871, id=6172, vol=6.820000e+04
assign (segid "   B" and resid  149 and name HG21) (segid "   B" and resid  149 and name   HA) 4.036 2.036 2.036 weight 1.000 ! spec=13C, no=6874, id=6174, vol=1.670000e+04
assign (segid "   B" and resid  149 and name HG21) (segid "   B" and resid  149 and name   HB) 2.093 0.548 0.548 weight 1.000 ! spec=13C, no=6876, id=6176, vol=8.580000e+05
assign (segid "   B" and resid  150 and name HG12) (segid "   B" and resid  150 and name   HB) 3.329 1.385 1.385 weight 1.000 ! spec=13C, no=6879, id=6178, vol=5.300000e+04
assign (segid "   B" and resid  150 and name HG22) (segid "   B" and resid  150 and name   HB) 3.285 1.349 1.349 weight 1.000 ! spec=13C, no=6880, id=6179, vol=5.740000e+04
assign (segid "   B" and resid  150 and name HG12) (segid "   B" and resid  150 and name HG22) 2.463 0.758 0.758 weight 1.000 ! spec=13C, no=6882, id=6180, vol=3.230000e+05
assign (segid "   B" and resid  151 and name  HB1) (segid "   B" and resid  151 and name   HA) 2.458 0.755 0.755 weight 1.000 ! spec=13C, no=6886, id=6183, vol=3.270000e+05
assign (segid "   B" and resid  151 and name  HG1) (segid "   B" and resid  151 and name   HA) 3.371 1.420 1.420 weight 1.000 ! spec=13C, no=6887, id=6184, vol=4.920000e+04
assign (segid "   B" and resid  151 and name  HB1) (segid "   B" and resid  151 and name  HB2) 1.650 0.340 0.340 weight 1.000 ! spec=13C, no=6888, id=6185, vol=3.570000e+06
assign (segid "   B" and resid  151 and name  HE2) (segid "   B" and resid  151 and name  HB1) 2.980 1.110 1.110 weight 1.000 ! spec=13C, no=6891, id=6187, vol=1.030000e+05
assign (segid "   B" and resid  151 and name  HG2) (segid "   B" and resid  151 and name  HB1) 2.327 0.677 0.677 weight 1.000 ! spec=13C, no=6892, id=6188, vol=4.540000e+05
assign (segid "   B" and resid  151 and name  HG1) (segid "   B" and resid  151 and name  HG2) 2.138 0.571 0.571 weight 1.000 ! spec=13C, no=6895, id=6191, vol=7.560000e+05
assign (segid "   B" and resid  151 and name  HG1) (segid "   B" and resid  151 and name  HB1) 2.348 0.689 0.689 weight 1.000 ! spec=13C, no=6896, id=6192, vol=4.310000e+05
assign (segid "   B" and resid  152 and name  HD1) (segid "   B" and resid  152 and name  HB2) 2.180 0.594 0.594 weight 1.000 ! spec=13C, no=6900, id=6195, vol=6.730000e+05
assign (segid "   B" and resid  152 and name  HD1) (segid "   B" and resid  152 and name  HD2) 1.864 0.434 0.434 weight 1.000 ! spec=13C, no=6902, id=6197, vol=1.720000e+06
assign (segid "   B" and resid  152 and name  HG2) (segid "   B" and resid  152 and name  HD1) 2.237 0.625 0.625 weight 1.000 ! spec=13C, no=6905, id=6199, vol=5.760000e+05
assign (segid "   B" and resid  153 and name   HA) (segid "   B" and resid  153 and name  HB1) 2.713 0.920 0.920 weight 1.000 ! spec=13C, no=6906, id=6200, vol=1.810000e+05
assign (segid "   B" and resid  154 and name   HG) (segid "   B" and resid  154 and name   HA) 2.325 0.676 0.676 weight 1.000 ! spec=13C, no=6907, id=6201, vol=4.570000e+05
assign (segid "   B" and resid  156 and name  HB1) (segid "   B" and resid  156 and name   HN) 2.463 0.758 0.758 weight 1.000 ! spec=13C, no=6914, id=6204, vol=3.230000e+05
assign (segid "   B" and resid  156 and name  HG1) (segid "   B" and resid  156 and name   HN) 2.620 0.858 0.858 weight 1.000 ! spec=13C, no=6915, id=6205, vol=2.230000e+05
assign (segid "   B" and resid  156 and name  HB1) (segid "   B" and resid  156 and name   HA) 2.449 0.750 0.750 weight 1.000 ! spec=13C, no=6916, id=6206, vol=3.340000e+05
assign (segid "   B" and resid  156 and name  HB1) (segid "   B" and resid  156 and name  HB2) 2.249 0.632 0.632 weight 1.000 ! spec=13C, no=6917, id=6207, vol=5.580000e+05
assign (segid "   B" and resid  156 and name  HG2) (segid "   B" and resid  156 and name  HB1) 2.330 0.679 0.679 weight 1.000 ! spec=13C, no=6923, id=6212, vol=4.510000e+05
assign (segid "   B" and resid  156 and name  HG1) (segid "   B" and resid  156 and name  HG2) 1.800 0.405 0.405 weight 1.000 ! spec=13C, no=6924, id=6213, vol=2.120000e+06
assign (segid "   B" and resid  156 and name   HA) (segid "   B" and resid  156 and name  HG1) 3.235 1.308 1.308 weight 1.000 ! spec=13C, no=6925, id=6214, vol=6.290000e+04
assign (segid "   B" and resid  156 and name  HB2) (segid "   B" and resid  156 and name  HG1) 2.975 1.107 1.107 weight 1.000 ! spec=13C, no=6926, id=6215, vol=1.040000e+05
assign (segid "   B" and resid  156 and name  HG1) (segid "   B" and resid  156 and name  HB1) 1.847 0.426 0.426 weight 1.000 ! spec=13C, no=6927, id=6216, vol=1.820000e+06
assign (segid "   B" and resid  158 and name  HB1) (segid "   B" and resid  158 and name   HA) 2.554 0.815 0.815 weight 1.000 ! spec=13C, no=6930, id=6218, vol=2.600000e+05
assign (segid "   B" and resid  158 and name  HG1) (segid "   B" and resid  158 and name   HA) 2.321 0.673 0.673 weight 1.000 ! spec=13C, no=6931, id=6219, vol=4.620000e+05
assign (segid "   B" and resid  158 and name  HG1) (segid "   B" and resid  158 and name  HB2) 1.996 0.498 0.498 weight 1.000 ! spec=13C, no=6932, id=6220, vol=1.140000e+06
assign (segid "   B" and resid  158 and name  HB2) (segid "   B" and resid  158 and name  HB1) 2.446 0.748 0.748 weight 1.000 ! spec=13C, no=6933, id=6221, vol=3.370000e+05
assign (segid "   B" and resid  158 and name  HG1) (segid "   B" and resid  158 and name  HB1) 2.401 0.720 0.720 weight 1.000 ! spec=13C, no=6936, id=6223, vol=3.770000e+05
assign (segid "   B" and resid  158 and name  HB1) (segid "   B" and resid  158 and name  HD2) 3.064 1.173 1.173 weight 1.000 ! spec=13C, no=6937, id=6224, vol=8.720000e+04
assign (segid "   B" and resid  158 and name  HG2) (segid "   B" and resid  158 and name  HD1) 3.208 1.286 1.286 weight 1.000 ! spec=13C, no=6938, id=6225, vol=6.620000e+04
assign (segid "   B" and resid  158 and name  HG1) (segid "   B" and resid  158 and name  HG2) 1.800 0.405 0.405 weight 1.000 ! spec=13C, no=6943, id=6230, vol=2.120000e+06
assign (segid "   B" and resid  159 and name HG21) (segid "   B" and resid  159 and name   HB) 1.990 0.495 0.495 weight 1.000 ! spec=13C, no=6945, id=6231, vol=1.160000e+06
assign (segid "   B" and resid  159 and name HG21) (segid "   B" and resid  159 and name   HA) 2.104 0.553 0.553 weight 1.000 ! spec=13C, no=6946, id=6232, vol=8.310000e+05
assign (segid "   B" and resid  162 and name  HB1) (segid "   B" and resid  162 and name   HN) 3.206 1.285 1.285 weight 1.000 ! spec=13C, no=6949, id=6233, vol=6.640000e+04
assign (segid "   B" and resid  162 and name  HB1) (segid "   B" and resid  162 and name   HA) 2.957 1.093 1.093 weight 1.000 ! spec=13C, no=6950, id=6234, vol=1.080000e+05
assign (segid "   B" and resid  162 and name  HB1) (segid "   B" and resid  162 and name  HB2) 1.782 0.397 0.397 weight 1.000 ! spec=13C, no=6952, id=6236, vol=2.250000e+06
assign (segid "   B" and resid  162 and name  HG2) (segid "   B" and resid  162 and name  HB1) 1.988 0.494 0.494 weight 1.000 ! spec=13C, no=6955, id=6238, vol=1.170000e+06
assign (segid "   B" and resid  163 and name HD22) (segid "   B" and resid  163 and name   HN) 2.174 0.591 0.591 weight 1.000 ! spec=13C, no=6956, id=6239, vol=6.830000e+05
assign (segid "   B" and resid  163 and name HD22) (segid "   B" and resid  163 and name  HB2) 1.948 0.474 0.474 weight 1.000 ! spec=13C, no=6957, id=6240, vol=1.320000e+06
assign (segid "   B" and resid  163 and name   HA) (segid "   B" and resid  163 and name  HB1) 3.298 1.359 1.359 weight 1.000 ! spec=13C, no=6958, id=6241, vol=5.610000e+04
assign (segid "   B" and resid  163 and name HD12) (segid "   B" and resid  163 and name  HB1) 2.176 0.592 0.592 weight 1.000 ! spec=13C, no=6960, id=6243, vol=6.790000e+05
assign (segid "   B" and resid  163 and name HD12) (segid "   B" and resid  163 and name   HG) 2.799 0.979 0.979 weight 1.000 ! spec=13C, no=6962, id=6245, vol=1.500000e+05
assign (segid "   B" and resid  163 and name HD22) (segid "   B" and resid  163 and name   HG) 1.948 0.474 0.474 weight 1.000 ! spec=13C, no=6963, id=6246, vol=1.320000e+06
assign (segid "   B" and resid  163 and name   HA) (segid "   B" and resid  163 and name HD22) 2.952 1.089 1.089 weight 1.000 ! spec=13C, no=6967, id=6249, vol=1.090000e+05
assign (segid "   B" and resid  164 and name  HB1) (segid "   B" and resid  164 and name   HA) 2.588 0.837 0.837 weight 1.000 ! spec=13C, no=6970, id=6251, vol=2.400000e+05
assign (segid "   B" and resid  165 and name  HB1) (segid "   B" and resid  165 and name   HN) 2.878 1.035 1.035 weight 1.000 ! spec=13C, no=6973, id=6253, vol=1.270000e+05
assign (segid "   B" and resid  166 and name  HB1) (segid "   B" and resid  166 and name   HN) 2.307 0.665 0.665 weight 1.000 ! spec=13C, no=6975, id=6254, vol=4.790000e+05
assign (segid "   B" and resid  166 and name  HB1) (segid "   B" and resid  166 and name   HA) 2.149 0.577 0.577 weight 1.000 ! spec=13C, no=6976, id=6255, vol=7.320000e+05
assign (segid "   B" and resid  166 and name  HB1) (segid "   B" and resid  166 and name  HB2) 2.342 0.686 0.686 weight 1.000 ! spec=13C, no=6977, id=6256, vol=4.370000e+05
assign (segid "   B" and resid  166 and name  HG2) (segid "   B" and resid  166 and name  HB1) 2.821 0.995 0.995 weight 1.000 ! spec=13C, no=6979, id=6257, vol=1.430000e+05
assign (segid "   B" and resid  167 and name HG11) (segid "   B" and resid  167 and name   HB) 2.367 0.700 0.700 weight 1.000 ! spec=13C, no=6983, id=6261, vol=4.100000e+05
assign (segid "   B" and resid  167 and name HG12) (segid "   B" and resid  167 and name   HB) 2.120 0.562 0.562 weight 1.000 ! spec=13C, no=6987, id=6265, vol=7.950000e+05
assign (segid "   B" and resid  167 and name HG11) (segid "   B" and resid  167 and name HG12) 2.416 0.729 0.729 weight 1.000 ! spec=13C, no=6989, id=6266, vol=3.630000e+05
assign (segid "   B" and resid  167 and name   HA) (segid "   B" and resid  167 and name HD12) 3.219 1.295 1.295 weight 1.000 ! spec=13C, no=6996, id=6271, vol=6.490000e+04
assign (segid "   B" and resid  167 and name HG12) (segid "   B" and resid  167 and name HD12) 4.181 2.185 2.185 weight 1.000 ! spec=13C, no=6998, id=6272, vol=1.350000e+04
assign (segid "   B" and resid  167 and name HG11) (segid "   B" and resid  167 and name HD12) 2.825 0.997 0.997 weight 1.000 ! spec=13C, no=6999, id=6273, vol=1.420000e+05
assign (segid "   B" and resid  167 and name HG22) (segid "   B" and resid  167 and name HD12) 2.383 0.710 0.710 weight 1.000 ! spec=13C, no=7000, id=6274, vol=3.940000e+05
assign (segid "   B" and resid  167 and name   HA) (segid "   B" and resid  167 and name HG22) 3.204 1.283 1.283 weight 1.000 ! spec=13C, no=7001, id=6275, vol=6.670000e+04
assign (segid "   B" and resid  167 and name HG22) (segid "   B" and resid  167 and name   HB) 1.668 0.348 0.348 weight 1.000 ! spec=13C, no=7002, id=6276, vol=3.350000e+06
assign (segid "   B" and resid  167 and name HG22) (segid "   B" and resid  167 and name HG11) 2.556 0.816 0.816 weight 1.000 ! spec=13C, no=7005, id=6278, vol=2.590000e+05
assign (segid "   B" and resid  168 and name  HB1) (segid "   B" and resid  168 and name   HN) 3.079 1.185 1.185 weight 1.000 ! spec=13C, no=7007, id=6279, vol=8.470000e+04
assign (segid "   B" and resid  168 and name  HB1) (segid "   B" and resid  168 and name  HB2) 2.447 0.749 0.749 weight 1.000 ! spec=13C, no=7008, id=6280, vol=3.360000e+05
assign (segid "   B" and resid  168 and name   HA) (segid "   B" and resid  168 and name HD21) 2.440 0.744 0.744 weight 1.000 ! spec=13C, no=7010, id=6281, vol=3.420000e+05
assign (segid "   B" and resid  168 and name  HB2) (segid "   B" and resid  168 and name HD21) 3.305 1.365 1.365 weight 1.000 ! spec=13C, no=7011, id=6282, vol=5.540000e+04
assign (segid "   B" and resid  168 and name   HA) (segid "   B" and resid  168 and name HD22) 2.878 1.035 1.035 weight 1.000 ! spec=13C, no=7012, id=6283, vol=1.270000e+05
assign (segid "   B" and resid  168 and name  HB2) (segid "   B" and resid  168 and name HD22) 3.032 1.149 1.149 weight 1.000 ! spec=13C, no=7013, id=6284, vol=9.290000e+04
assign (segid "   B" and resid  169 and name  HB1) (segid "   B" and resid  169 and name   HN) 3.005 1.129 1.129 weight 1.000 ! spec=13C, no=7014, id=6285, vol=9.790000e+04
assign (segid "   B" and resid  169 and name  HB1) (segid "   B" and resid  169 and name  HB2) 2.230 0.622 0.622 weight 1.000 ! spec=13C, no=7015, id=6286, vol=5.860000e+05
assign (segid "   B" and resid  169 and name  HB1) (segid "   B" and resid  169 and name  HG2) 2.852 1.017 1.017 weight 1.000 ! spec=13C, no=7020, id=6290, vol=1.340000e+05
assign (segid "   B" and resid  169 and name  HG1) (segid "   B" and resid  169 and name  HB2) 2.723 0.927 0.927 weight 1.000 ! spec=13C, no=7022, id=6292, vol=1.770000e+05
assign (segid "   B" and resid  169 and name  HG1) (segid "   B" and resid  169 and name  HB1) 2.159 0.582 0.582 weight 1.000 ! spec=13C, no=7023, id=6293, vol=7.130000e+05
assign (segid "   B" and resid  170 and name HG12) (segid "   B" and resid  170 and name   HB) 1.948 0.474 0.474 weight 1.000 ! spec=13C, no=7030, id=6299, vol=1.320000e+06
assign (segid "   B" and resid  170 and name HG22) (segid "   B" and resid  170 and name   HB) 2.430 0.738 0.738 weight 1.000 ! spec=13C, no=7031, id=6300, vol=3.500000e+05
assign (segid "   B" and resid  170 and name HG22) (segid "   B" and resid  170 and name   HA) 2.378 0.707 0.707 weight 1.000 ! spec=13C, no=7036, id=6304, vol=3.990000e+05
assign (segid "   B" and resid  171 and name   HA) (segid "   B" and resid  171 and name  HB1) 1.663 0.346 0.346 weight 1.000 ! spec=13C, no=7040, id=6307, vol=3.410000e+06
assign (segid "   B" and resid  172 and name  HB2) (segid "   B" and resid  172 and name   HA) 2.626 0.862 0.862 weight 1.000 ! spec=13C, no=7042, id=6308, vol=2.200000e+05
assign (segid "   B" and resid  173 and name  HB1) (segid "   B" and resid  173 and name   HN) 1.979 0.490 0.490 weight 1.000 ! spec=13C, no=7044, id=6309, vol=1.200000e+06
assign (segid "   B" and resid  173 and name  HB1) (segid "   B" and resid  173 and name   HA) 2.030 0.515 0.515 weight 1.000 ! spec=13C, no=7045, id=6310, vol=1.030000e+06
assign (segid "   B" and resid  175 and name  HB1) (segid "   B" and resid  175 and name   HA) 2.957 1.093 1.093 weight 1.000 ! spec=13C, no=7051, id=6313, vol=1.080000e+05
assign (segid "   B" and resid  175 and name   HA) (segid "   B" and resid  175 and name HD21) 2.406 0.724 0.724 weight 1.000 ! spec=13C, no=7053, id=6314, vol=3.720000e+05
assign (segid "   B" and resid  177 and name  HG1) (segid "   B" and resid  177 and name   HB) 2.569 0.825 0.825 weight 1.000 ! spec=13C, no=7058, id=6317, vol=2.510000e+05
assign (segid "   B" and resid  177 and name  HG1) (segid "   B" and resid  177 and name   HA) 2.281 0.650 0.650 weight 1.000 ! spec=13C, no=7059, id=6318, vol=5.120000e+05
assign (segid "   B" and resid  178 and name HG12) (segid "   B" and resid  178 and name   HB) 2.311 0.667 0.667 weight 1.000 ! spec=13C, no=7061, id=6319, vol=4.740000e+05
assign (segid "   B" and resid  178 and name HG22) (segid "   B" and resid  178 and name   HB) 2.422 0.734 0.734 weight 1.000 ! spec=13C, no=7063, id=6321, vol=3.570000e+05
assign (segid "   B" and resid  178 and name HG12) (segid "   B" and resid  178 and name   HA) 2.990 1.117 1.117 weight 1.000 ! spec=13C, no=7064, id=6322, vol=1.010000e+05
assign (segid "   B" and resid  178 and name HG22) (segid "   B" and resid  178 and name HG12) 2.508 0.786 0.786 weight 1.000 ! spec=13C, no=7066, id=6323, vol=2.900000e+05
assign (segid "   B" and resid  178 and name HG11) (segid "   B" and resid  178 and name HG12) 2.162 0.584 0.584 weight 1.000 ! spec=13C, no=7068, id=6324, vol=7.060000e+05
assign (segid "   B" and resid  178 and name   HA) (segid "   B" and resid  178 and name HG11) 4.353 2.369 2.369 weight 1.000 ! spec=13C, no=7070, id=6326, vol=1.060000e+04
assign (segid "   B" and resid  178 and name HG22) (segid "   B" and resid  178 and name HG11) 2.668 0.890 0.890 weight 1.000 ! spec=13C, no=7074, id=6329, vol=2.000000e+05
assign (segid "   B" and resid  178 and name HG12) (segid "   B" and resid  178 and name HD12) 2.618 0.857 0.857 weight 1.000 ! spec=13C, no=7077, id=6330, vol=2.240000e+05
assign (segid "   B" and resid  178 and name HG11) (segid "   B" and resid  178 and name HD12) 2.470 0.762 0.762 weight 1.000 ! spec=13C, no=7080, id=6333, vol=3.180000e+05
assign (segid "   B" and resid  178 and name HG22) (segid "   B" and resid  178 and name HD12) 2.419 0.731 0.731 weight 1.000 ! spec=13C, no=7081, id=6334, vol=3.600000e+05
assign (segid "   B" and resid  181 and name  HB1) (segid "   B" and resid  181 and name   HA) 2.459 0.756 0.756 weight 1.000 ! spec=13C, no=7087, id=6337, vol=3.260000e+05
assign (segid "   B" and resid  181 and name  HB1) (segid "   B" and resid  181 and name  HB2) 1.850 0.428 0.428 weight 1.000 ! spec=13C, no=7088, id=6338, vol=1.800000e+06
assign (segid "   B" and resid  182 and name  HB1) (segid "   B" and resid  182 and name  HB2) 2.420 0.732 0.732 weight 1.000 ! spec=13C, no=7093, id=6342, vol=3.590000e+05
assign (segid "   B" and resid  182 and name  HG1) (segid "   B" and resid  182 and name  HB2) 2.061 0.531 0.531 weight 1.000 ! spec=13C, no=7094, id=6343, vol=9.410000e+05
assign (segid "   B" and resid  182 and name  HG2) (segid "   B" and resid  182 and name  HB1) 2.188 0.599 0.599 weight 1.000 ! spec=13C, no=7097, id=6345, vol=6.570000e+05
assign (segid "   B" and resid  182 and name  HG1) (segid "   B" and resid  182 and name   HA) 2.731 0.932 0.932 weight 1.000 ! spec=13C, no=7099, id=6347, vol=1.740000e+05
assign (segid "   B" and resid  183 and name  HB1) (segid "   B" and resid  183 and name  HB2) 2.239 0.627 0.627 weight 1.000 ! spec=13C, no=7101, id=6348, vol=5.720000e+05
assign (segid "   B" and resid  183 and name   HA) (segid "   B" and resid  183 and name  HB1) 2.901 1.052 1.052 weight 1.000 ! spec=13C, no=7102, id=6349, vol=1.210000e+05
assign (segid "   B" and resid  184 and name HD22) (segid "   B" and resid  184 and name  HB2) 2.409 0.726 0.726 weight 1.000 ! spec=13C, no=7104, id=6351, vol=3.690000e+05
assign (segid "   B" and resid  184 and name HD12) (segid "   B" and resid  184 and name  HB1) 2.160 0.583 0.583 weight 1.000 ! spec=13C, no=7106, id=6353, vol=7.100000e+05
assign (segid "   B" and resid  184 and name HD22) (segid "   B" and resid  184 and name  HB1) 2.056 0.528 0.528 weight 1.000 ! spec=13C, no=7107, id=6354, vol=9.560000e+05
assign (segid "   B" and resid  184 and name HD22) (segid "   B" and resid  184 and name HD12) 2.057 0.529 0.529 weight 1.000 ! spec=13C, no=7113, id=6358, vol=9.510000e+05
assign (segid "   B" and resid  184 and name HD22) (segid "   B" and resid  184 and name   HG) 1.971 0.486 0.486 weight 1.000 ! spec=13C, no=7117, id=6361, vol=1.230000e+06
assign (segid "   B" and resid  185 and name  HG1) (segid "   B" and resid  185 and name   HA) 3.333 1.389 1.389 weight 1.000 ! spec=13C, no=7119, id=6363, vol=5.260000e+04
assign (segid "   B" and resid  185 and name  HG1) (segid "   B" and resid  185 and name   HB) 3.084 1.189 1.189 weight 1.000 ! spec=13C, no=7120, id=6364, vol=8.380000e+04
assign (segid "   B" and resid  186 and name  HG1) (segid "   B" and resid  186 and name   HN) 1.891 0.447 0.447 weight 1.000 ! spec=13C, no=7123, id=6366, vol=1.580000e+06
assign (segid "   B" and resid  186 and name  HB1) (segid "   B" and resid  186 and name   HA) 3.049 1.162 1.162 weight 1.000 ! spec=13C, no=7124, id=6367, vol=8.980000e+04
assign (segid "   B" and resid  186 and name  HG1) (segid "   B" and resid  186 and name   HA) 2.202 0.606 0.606 weight 1.000 ! spec=13C, no=7125, id=6368, vol=6.330000e+05
assign (segid "   B" and resid  186 and name  HB1) (segid "   B" and resid  186 and name  HB2) 1.999 0.500 0.500 weight 1.000 ! spec=13C, no=7127, id=6370, vol=1.130000e+06
assign (segid "   B" and resid  186 and name  HE2) (segid "   B" and resid  186 and name  HB1) 2.961 1.096 1.096 weight 1.000 ! spec=13C, no=7129, id=6371, vol=1.070000e+05
assign (segid "   B" and resid  186 and name  HG1) (segid "   B" and resid  186 and name  HB1) 1.775 0.394 0.394 weight 1.000 ! spec=13C, no=7131, id=6373, vol=2.310000e+06
assign (segid "   B" and resid  186 and name  HG2) (segid "   B" and resid  186 and name  HB1) 2.180 0.594 0.594 weight 1.000 ! spec=13C, no=7132, id=6374, vol=6.730000e+05
assign (segid "   B" and resid  186 and name  HG1) (segid "   B" and resid  186 and name  HG2) 1.638 0.336 0.336 weight 1.000 ! spec=13C, no=7133, id=6375, vol=3.730000e+06
assign (segid "   B" and resid  187 and name  HB1) (segid "   B" and resid  187 and name   HN) 3.024 1.143 1.143 weight 1.000 ! spec=13C, no=7138, id=6379, vol=9.430000e+04
assign (segid "   B" and resid  187 and name  HE2) (segid "   B" and resid  187 and name   HN) 3.355 1.407 1.407 weight 1.000 ! spec=13C, no=7139, id=6380, vol=5.060000e+04
assign (segid "   B" and resid  187 and name  HB1) (segid "   B" and resid  187 and name  HB2) 2.140 0.572 0.572 weight 1.000 ! spec=13C, no=7140, id=6381, vol=7.520000e+05
assign (segid "   B" and resid  187 and name  HE2) (segid "   B" and resid  187 and name  HB1) 2.253 0.635 0.635 weight 1.000 ! spec=13C, no=7143, id=6383, vol=5.510000e+05
assign (segid "   B" and resid  187 and name  HG1) (segid "   B" and resid  187 and name  HB1) 3.279 1.344 1.344 weight 1.000 ! spec=13C, no=7144, id=6384, vol=5.800000e+04
assign (segid "   B" and resid  187 and name  HB1) (segid "   B" and resid  187 and name  HG2) 2.831 1.002 1.002 weight 1.000 ! spec=13C, no=7145, id=6385, vol=1.400000e+05
assign (segid "   B" and resid  187 and name  HE2) (segid "   A" and resid   95 and name   HA) 6.030 4.546 4.546 weight 1.000 ! spec=13C, no=7147, id=6386, vol=1.500000e+03
assign (segid "   B" and resid  188 and name  HB2) (segid "   B" and resid  188 and name   HA) 2.802 0.982 0.982 weight 1.000 ! spec=13C, no=7150, id=6389, vol=1.490000e+05
assign (segid "   B" and resid  189 and name  HG1) (segid "   B" and resid  189 and name   HA) 2.684 0.900 0.900 weight 1.000 ! spec=13C, no=7152, id=6390, vol=1.930000e+05
assign (segid "   B" and resid  189 and name  HG1) (segid "   B" and resid  189 and name  HB2) 1.790 0.401 0.401 weight 1.000 ! spec=13C, no=7153, id=6391, vol=2.190000e+06
assign (segid "   B" and resid  189 and name  HG1) (segid "   B" and resid  189 and name  HD2) 1.859 0.432 0.432 weight 1.000 ! spec=13C, no=7154, id=6392, vol=1.750000e+06
assign (segid "   B" and resid  189 and name  HB2) (segid "   B" and resid  189 and name   HE) 2.644 0.874 0.874 weight 1.000 ! spec=13C, no=7155, id=6393, vol=2.110000e+05
assign (segid "   B" and resid  189 and name  HD2) (segid "   B" and resid  189 and name   HE) 3.489 1.522 1.522 weight 1.000 ! spec=13C, no=7156, id=6394, vol=4.000000e+04
assign (segid "   B" and resid  189 and name  HG2) (segid "   B" and resid  189 and name   HE) 2.701 0.912 0.912 weight 1.000 ! spec=13C, no=7157, id=6395, vol=1.860000e+05
assign (segid "   B" and resid  189 and name  HG1) (segid "   B" and resid  189 and name   HE) 3.255 1.324 1.324 weight 1.000 ! spec=13C, no=7158, id=6396, vol=6.070000e+04
assign (segid "   B" and resid  189 and name  HG1) (segid "   B" and resid  189 and name  HG2) 2.198 0.604 0.604 weight 1.000 ! spec=13C, no=7159, id=6397, vol=6.400000e+05
assign (segid "   B" and resid  190 and name  HB1) (segid "   B" and resid  190 and name   HA) 2.511 0.788 0.788 weight 1.000 ! spec=13C, no=7165, id=6402, vol=2.880000e+05
assign (segid "   B" and resid  190 and name  HD1) (segid "   B" and resid  190 and name   HA) 2.705 0.915 0.915 weight 1.000 ! spec=13C, no=7166, id=6403, vol=1.840000e+05
assign (segid "   B" and resid  190 and name  HE1) (segid "   B" and resid  190 and name  HB2) 3.140 1.232 1.232 weight 1.000 ! spec=13C, no=7169, id=6406, vol=7.530000e+04
assign (segid "   B" and resid  190 and name  HB1) (segid "   B" and resid  190 and name  HB2) 1.929 0.465 0.465 weight 1.000 ! spec=13C, no=7170, id=6407, vol=1.400000e+06
assign (segid "   B" and resid  190 and name  HD1) (segid "   B" and resid  190 and name  HB1) 2.073 0.537 0.537 weight 1.000 ! spec=13C, no=7173, id=6409, vol=9.090000e+05
assign (segid "   B" and resid  190 and name  HE1) (segid "   B" and resid  190 and name  HB1) 3.075 1.182 1.182 weight 1.000 ! spec=13C, no=7174, id=6410, vol=8.530000e+04
assign (segid "   B" and resid  190 and name  HG2) (segid "   B" and resid  190 and name  HB1) 2.080 0.541 0.541 weight 1.000 ! spec=13C, no=7175, id=6411, vol=8.900000e+05
assign (segid "   B" and resid  190 and name  HD2) (segid "   B" and resid  190 and name  HB1) 2.238 0.626 0.626 weight 1.000 ! spec=13C, no=7176, id=6412, vol=5.740000e+05
assign (segid "   B" and resid  190 and name  HD1) (segid "   B" and resid  190 and name  HD2) 1.951 0.476 0.476 weight 1.000 ! spec=13C, no=7177, id=6413, vol=1.310000e+06
assign (segid "   B" and resid  190 and name  HE1) (segid "   B" and resid  190 and name  HD2) 2.448 0.749 0.749 weight 1.000 ! spec=13C, no=7178, id=6414, vol=3.350000e+05
assign (segid "   B" and resid  190 and name  HG2) (segid "   B" and resid  190 and name  HD1) 1.925 0.463 0.463 weight 1.000 ! spec=13C, no=7185, id=6420, vol=1.420000e+06
assign (segid "   B" and resid  190 and name  HE1) (segid "   B" and resid  190 and name  HD1) 2.599 0.844 0.844 weight 1.000 ! spec=13C, no=7188, id=6423, vol=2.340000e+05
assign (segid "   B" and resid  190 and name  HE1) (segid "   B" and resid  190 and name  HG2) 2.821 0.995 0.995 weight 1.000 ! spec=13C, no=7192, id=6426, vol=1.430000e+05
assign (segid "   B" and resid  191 and name   HA) (segid "   B" and resid  191 and name  HB1) 1.943 0.472 0.472 weight 1.000 ! spec=13C, no=7194, id=6428, vol=1.340000e+06
assign (segid "   B" and resid  191 and name  HG2) (segid "   B" and resid  191 and name  HB1) 2.679 0.897 0.897 weight 1.000 ! spec=13C, no=7196, id=6429, vol=1.950000e+05
assign (segid "   B" and resid  191 and name  HB1) (segid "   B" and resid  191 and name  HE2) 2.187 0.598 0.598 weight 1.000 ! spec=13C, no=7197, id=6430, vol=6.590000e+05
assign (segid "   B" and resid  192 and name  HE2) (segid "   B" and resid  192 and name   HA) 3.046 1.160 1.160 weight 1.000 ! spec=13C, no=7199, id=6432, vol=9.030000e+04
assign (segid "   B" and resid  193 and name  HB1) (segid "   B" and resid  193 and name   HN) 2.436 0.742 0.742 weight 1.000 ! spec=13C, no=7200, id=6433, vol=3.450000e+05
assign (segid "   B" and resid  193 and name  HB1) (segid "   B" and resid  193 and name  HB2) 1.360 0.231 0.231 weight 1.000 ! spec=13C, no=7202, id=6435, vol=1.140000e+07
assign (segid "   B" and resid  193 and name  HB1) (segid "   B" and resid  193 and name   HA) 2.372 0.703 0.703 weight 1.000 ! spec=13C, no=7203, id=6436, vol=4.050000e+05
assign (segid "   B" and resid  194 and name  HG1) (segid "   B" and resid  194 and name   HA) 2.708 0.917 0.917 weight 1.000 ! spec=13C, no=7206, id=6438, vol=1.830000e+05
assign (segid "   B" and resid  194 and name  HG1) (segid "   B" and resid  194 and name   HB) 2.818 0.993 0.993 weight 1.000 ! spec=13C, no=7207, id=6439, vol=1.440000e+05
assign (segid "   B" and resid  196 and name  HB1) (segid "   B" and resid  196 and name   HA) 3.106 1.206 1.206 weight 1.000 ! spec=13C, no=7211, id=6442, vol=8.030000e+04
assign (segid "   B" and resid  199 and name  HB1) (segid "   B" and resid  199 and name   HN) 2.913 1.061 1.061 weight 1.000 ! spec=13C, no=7214, id=6444, vol=1.180000e+05
assign (segid "   B" and resid  199 and name  HB1) (segid "   B" and resid  199 and name   HA) 2.831 1.002 1.002 weight 1.000 ! spec=13C, no=7215, id=6445, vol=1.400000e+05
assign (segid "   B" and resid  199 and name  HB1) (segid "   B" and resid  199 and name  HB2) 1.802 0.406 0.406 weight 1.000 ! spec=13C, no=7217, id=6447, vol=2.110000e+06
assign (segid "   B" and resid  199 and name  HG2) (segid "   B" and resid  199 and name  HB1) 1.602 0.321 0.321 weight 1.000 ! spec=13C, no=7220, id=6449, vol=4.270000e+06
assign (segid "   B" and resid  200 and name HG22) (segid "   B" and resid  200 and name   HA) 2.796 0.977 0.977 weight 1.000 ! spec=13C, no=7224, id=6453, vol=1.510000e+05
assign (segid "   B" and resid  200 and name HG11) (segid "   B" and resid  200 and name   HB) 2.253 0.635 0.635 weight 1.000 ! spec=13C, no=7225, id=6454, vol=5.510000e+05
assign (segid "   B" and resid  200 and name HD12) (segid "   B" and resid  200 and name   HB) 2.799 0.979 0.979 weight 1.000 ! spec=13C, no=7226, id=6455, vol=1.500000e+05
assign (segid "   B" and resid  200 and name HG22) (segid "   B" and resid  200 and name   HB) 1.885 0.444 0.444 weight 1.000 ! spec=13C, no=7227, id=6456, vol=1.610000e+06
assign (segid "   B" and resid  200 and name HD12) (segid "   B" and resid  200 and name HG11) 1.971 0.486 0.486 weight 1.000 ! spec=13C, no=7232, id=6458, vol=1.230000e+06
assign (segid "   B" and resid  200 and name HG22) (segid "   B" and resid  200 and name HG11) 2.214 0.613 0.613 weight 1.000 ! spec=13C, no=7233, id=6459, vol=6.130000e+05
assign (segid "   B" and resid  200 and name HG22) (segid "   B" and resid  200 and name HD12) 1.698 0.360 0.360 weight 1.000 ! spec=13C, no=7235, id=6460, vol=3.010000e+06
assign (segid "   B" and resid  201 and name  HG1) (segid "   B" and resid  201 and name   HA) 2.805 0.984 0.984 weight 1.000 ! spec=13C, no=7240, id=6464, vol=1.480000e+05
assign (segid "   B" and resid  201 and name  HD1) (segid "   B" and resid  201 and name  HB2) 2.055 0.528 0.528 weight 1.000 ! spec=13C, no=7241, id=6465, vol=9.570000e+05
assign (segid "   B" and resid  201 and name  HG1) (segid "   B" and resid  201 and name  HB2) 1.824 0.416 0.416 weight 1.000 ! spec=13C, no=7242, id=6466, vol=1.960000e+06
assign (segid "   B" and resid  201 and name  HG1) (segid "   B" and resid  201 and name  HD2) 2.288 0.654 0.654 weight 1.000 ! spec=13C, no=7244, id=6468, vol=5.030000e+05
assign (segid "   B" and resid  201 and name  HD1) (segid "   B" and resid  201 and name   HA) 2.838 1.007 1.007 weight 1.000 ! spec=13C, no=7245, id=6469, vol=1.380000e+05
assign (segid "   B" and resid  201 and name  HD1) (segid "   B" and resid  201 and name  HD2) 1.938 0.470 0.470 weight 1.000 ! spec=13C, no=7246, id=6470, vol=1.360000e+06
assign (segid "   B" and resid  201 and name  HD1) (segid "   B" and resid  201 and name  HG2) 2.752 0.947 0.947 weight 1.000 ! spec=13C, no=7248, id=6471, vol=1.660000e+05
assign (segid "   B" and resid  201 and name  HG1) (segid "   B" and resid  201 and name  HG2) 1.813 0.411 0.411 weight 1.000 ! spec=13C, no=7249, id=6472, vol=2.030000e+06
assign (segid "   B" and resid  201 and name  HD1) (segid "   B" and resid  201 and name  HG1) 2.502 0.783 0.783 weight 1.000 ! spec=13C, no=7252, id=6475, vol=2.940000e+05
assign (segid "   A" and resid   43 and name   HA) (segid "   B" and resid  203 and name   HA) 3.125 1.221 1.221 weight 1.000 ! spec=13C, no=7255, id=6477, vol=7.750000e+04
assign (segid "   A" and resid   43 and name  HB2) (segid "   B" and resid  203 and name  HB2) 2.237 0.626 0.626 weight 1.000 ! spec=13C, no=7258, id=6480, vol=5.750000e+05
assign (segid "   A" and resid   46 and name  HB1) (segid "   B" and resid  203 and name  HB2) 2.401 0.720 0.720 weight 1.000 ! spec=13C, no=7259, id=6481, vol=3.770000e+05
assign (segid "   B" and resid  205 and name  HG1) (segid "   B" and resid  205 and name   HA) 3.339 1.393 1.393 weight 1.000 ! spec=13C, no=7263, id=6483, vol=5.210000e+04
assign (segid "   B" and resid  205 and name  HG2) (segid "   B" and resid  205 and name   HE) 3.096 1.198 1.198 weight 1.000 ! spec=13C, no=7265, id=6485, vol=8.190000e+04
assign (segid "   B" and resid  205 and name  HG1) (segid "   B" and resid  205 and name  HB2) 1.468 0.269 0.269 weight 1.000 ! spec=13C, no=7267, id=6487, vol=7.200000e+06
assign (segid "   B" and resid  205 and name  HD2) (segid "   B" and resid  205 and name  HG1) 3.030 1.148 1.148 weight 1.000 ! spec=13C, no=7268, id=6488, vol=9.320000e+04
assign (segid "   B" and resid  205 and name  HG1) (segid "   B" and resid  205 and name  HG2) 1.539 0.296 0.296 weight 1.000 ! spec=13C, no=7269, id=6489, vol=5.440000e+06
assign (segid "   B" and resid  206 and name HG12) (segid "   B" and resid  206 and name   HN) 2.188 0.599 0.599 weight 1.000 ! spec=13C, no=7271, id=6490, vol=6.570000e+05
assign (segid "   B" and resid  206 and name   HA) (segid "   B" and resid  206 and name HG22) 3.307 1.367 1.367 weight 1.000 ! spec=13C, no=7276, id=6494, vol=5.520000e+04
assign (segid "   B" and resid  206 and name HG12) (segid "   B" and resid  206 and name HG22) 2.464 0.759 0.759 weight 1.000 ! spec=13C, no=7277, id=6495, vol=3.220000e+05
assign (segid "   A" and resid   43 and name   HA) (segid "   B" and resid  207 and name  HE2) 5.190 3.367 3.367 weight 1.000 ! spec=13C, no=7278, id=6496, vol=3.690000e+03
assign (segid "   A" and resid   43 and name  HB2) (segid "   B" and resid  207 and name  HE2) 3.390 1.437 1.437 weight 1.000 ! spec=13C, no=7279, id=6497, vol=4.750000e+04
assign (segid "   A" and resid   44 and name   HA) (segid "   B" and resid  207 and name  HE2) 4.715 2.778 2.778 weight 1.000 ! spec=13C, no=7280, id=6498, vol=6.570000e+03
assign (segid "   A" and resid   44 and name  HB2) (segid "   B" and resid  207 and name  HE2) 2.809 0.986 0.986 weight 1.000 ! spec=13C, no=7281, id=6499, vol=1.470000e+05
assign (segid "   B" and resid  207 and name  HB2) (segid "   B" and resid  207 and name   HZ) 3.578 1.600 1.600 weight 1.000 ! spec=13C, no=7283, id=6501, vol=3.440000e+04
assign (segid "   B" and resid  208 and name  HB1) (segid "   B" and resid  208 and name   HN) 2.186 0.597 0.597 weight 1.000 ! spec=13C, no=7285, id=6503, vol=6.620000e+05
assign (segid "   B" and resid  208 and name  HB1) (segid "   B" and resid  208 and name   HA) 2.530 0.800 0.800 weight 1.000 ! spec=13C, no=7287, id=6505, vol=2.750000e+05
assign (segid "   B" and resid  212 and name  HB1) (segid "   B" and resid  212 and name   HN) 3.259 1.328 1.328 weight 1.000 ! spec=13C, no=7293, id=6508, vol=6.020000e+04
assign (segid "   B" and resid  212 and name  HB1) (segid "   B" and resid  212 and name   HA) 2.168 0.588 0.588 weight 1.000 ! spec=13C, no=7296, id=6511, vol=6.940000e+05
assign (segid "   B" and resid  212 and name  HB1) (segid "   B" and resid  212 and name  HB2) 1.800 0.405 0.405 weight 1.000 ! spec=13C, no=7297, id=6512, vol=2.120000e+06
assign (segid "   B" and resid  212 and name   HA) (segid "   B" and resid  212 and name HD21) 3.075 1.182 1.182 weight 1.000 ! spec=13C, no=7299, id=6513, vol=8.530000e+04
assign (segid "   B" and resid  212 and name  HB2) (segid "   B" and resid  212 and name HD22) 3.359 1.411 1.411 weight 1.000 ! spec=13C, no=7300, id=6514, vol=5.020000e+04
assign (segid "   B" and resid  215 and name HG11) (segid "   B" and resid  215 and name   HN) 3.277 1.342 1.342 weight 1.000 ! spec=13C, no=7305, id=6517, vol=5.830000e+04
assign (segid "   B" and resid  215 and name HG11) (segid "   B" and resid  215 and name   HA) 1.893 0.448 0.448 weight 1.000 ! spec=13C, no=7309, id=6521, vol=1.570000e+06
assign (segid "   B" and resid  215 and name HG22) (segid "   B" and resid  215 and name   HB) 2.307 0.666 0.666 weight 1.000 ! spec=13C, no=7316, id=6528, vol=4.780000e+05
assign (segid "   B" and resid  215 and name HD12) (segid "   B" and resid  215 and name HG12) 2.323 0.675 0.675 weight 1.000 ! spec=13C, no=7317, id=6529, vol=4.590000e+05
assign (segid "   B" and resid  215 and name HG22) (segid "   B" and resid  215 and name HG12) 2.237 0.625 0.625 weight 1.000 ! spec=13C, no=7322, id=6532, vol=5.760000e+05
assign (segid "   B" and resid  215 and name HG11) (segid "   B" and resid  215 and name HG12) 1.953 0.477 0.477 weight 1.000 ! spec=13C, no=7324, id=6534, vol=1.300000e+06
assign (segid "   B" and resid  215 and name HG22) (segid "   B" and resid  215 and name HG11) 2.216 0.614 0.614 weight 1.000 ! spec=13C, no=7326, id=6535, vol=6.090000e+05
assign (segid "   B" and resid  215 and name HD12) (segid "   B" and resid  215 and name HG11) 2.261 0.639 0.639 weight 1.000 ! spec=13C, no=7332, id=6539, vol=5.400000e+05
assign (segid "   B" and resid  215 and name HG22) (segid "   B" and resid  215 and name HD12) 1.551 0.301 0.301 weight 1.000 ! spec=13C, no=7335, id=6542, vol=5.190000e+06
assign (segid "   B" and resid  215 and name HG22) (segid "   B" and resid  215 and name   HA) 2.533 0.802 0.802 weight 1.000 ! spec=13C, no=7336, id=6543, vol=2.730000e+05
assign (segid "   B" and resid  216 and name  HB1) (segid "   B" and resid  216 and name   HA) 2.775 0.963 0.963 weight 1.000 ! spec=13C, no=7341, id=6547, vol=1.580000e+05
assign (segid "   B" and resid  219 and name  HG1) (segid "   B" and resid  219 and name   HN) 2.882 1.038 1.038 weight 1.000 ! spec=13C, no=7345, id=6549, vol=1.260000e+05
assign (segid "   B" and resid  219 and name  HG1) (segid "   B" and resid  219 and name   HA) 2.630 0.865 0.865 weight 1.000 ! spec=13C, no=7346, id=6550, vol=2.180000e+05
assign (segid "   B" and resid  219 and name  HG1) (segid "   B" and resid  219 and name  HB2) 1.825 0.417 0.417 weight 1.000 ! spec=13C, no=7347, id=6551, vol=1.950000e+06
assign (segid "   B" and resid  219 and name  HG1) (segid "   B" and resid  219 and name  HG2) 1.684 0.355 0.355 weight 1.000 ! spec=13C, no=7348, id=6552, vol=3.160000e+06
assign (segid "   B" and resid  220 and name HD22) (segid "   B" and resid  220 and name   HA) 2.828 1.000 1.000 weight 1.000 ! spec=13C, no=7352, id=6555, vol=1.410000e+05
assign (segid "   B" and resid  220 and name HD22) (segid "   B" and resid  220 and name  HB2) 3.018 1.138 1.138 weight 1.000 ! spec=13C, no=7353, id=6556, vol=9.550000e+04
assign (segid "   B" and resid  220 and name HD12) (segid "   B" and resid  220 and name  HB1) 2.055 0.528 0.528 weight 1.000 ! spec=13C, no=7355, id=6557, vol=9.590000e+05
assign (segid "   B" and resid  220 and name HD22) (segid "   B" and resid  220 and name  HB1) 2.901 1.052 1.052 weight 1.000 ! spec=13C, no=7356, id=6558, vol=1.210000e+05
assign (segid "   B" and resid  220 and name   HG) (segid "   B" and resid  220 and name  HB1) 2.348 0.689 0.689 weight 1.000 ! spec=13C, no=7357, id=6559, vol=4.300000e+05
assign (segid "   B" and resid  220 and name   HG) (segid "   B" and resid  220 and name   HA) 3.026 1.145 1.145 weight 1.000 ! spec=13C, no=7358, id=6560, vol=9.390000e+04
assign (segid "   B" and resid  220 and name   HG) (segid "   B" and resid  220 and name  HB2) 2.146 0.576 0.576 weight 1.000 ! spec=13C, no=7359, id=6561, vol=7.390000e+05
assign (segid "   B" and resid  220 and name HD12) (segid "   B" and resid  220 and name   HG) 1.797 0.404 0.404 weight 1.000 ! spec=13C, no=7360, id=6562, vol=2.140000e+06
assign (segid "   B" and resid  220 and name HD22) (segid "   B" and resid  220 and name   HG) 2.761 0.953 0.953 weight 1.000 ! spec=13C, no=7361, id=6563, vol=1.630000e+05
assign (segid "   B" and resid  220 and name HD12) (segid "   B" and resid  220 and name  HB2) 2.581 0.833 0.833 weight 1.000 ! spec=13C, no=7363, id=6564, vol=2.440000e+05
assign (segid "   A" and resid   44 and name  HB2) (segid "   B" and resid  223 and name   HB) 2.412 0.727 0.727 weight 1.000 ! spec=13C, no=7371, id=6570, vol=3.660000e+05
assign (segid "   B" and resid  223 and name HG22) (segid "   B" and resid  223 and name   HB) 2.657 0.883 0.883 weight 1.000 ! spec=13C, no=7372, id=6571, vol=2.050000e+05
assign (segid "   B" and resid  224 and name  HG1) (segid "   B" and resid  224 and name   HN) 2.649 0.877 0.877 weight 1.000 ! spec=13C, no=7374, id=6572, vol=2.090000e+05
assign (segid "   B" and resid  224 and name  HG1) (segid "   B" and resid  224 and name   HA) 2.708 0.917 0.917 weight 1.000 ! spec=13C, no=7375, id=6573, vol=1.830000e+05
assign (segid "   B" and resid  224 and name  HG1) (segid "   B" and resid  224 and name  HB2) 2.664 0.887 0.887 weight 1.000 ! spec=13C, no=7376, id=6574, vol=2.020000e+05
assign (segid "   B" and resid  224 and name  HG2) (segid "   B" and resid  224 and name  HB1) 2.302 0.662 0.662 weight 1.000 ! spec=13C, no=7378, id=6575, vol=4.850000e+05
assign (segid "   B" and resid  224 and name  HG1) (segid "   B" and resid  224 and name  HB1) 1.883 0.443 0.443 weight 1.000 ! spec=13C, no=7379, id=6576, vol=1.620000e+06
assign (segid "   B" and resid  224 and name  HG1) (segid "   B" and resid  224 and name  HG2) 2.224 0.618 0.618 weight 1.000 ! spec=13C, no=7380, id=6577, vol=5.960000e+05
assign (segid "   A" and resid   47 and name   HB) (segid "   B" and resid  224 and name  HE2) 3.524 1.552 1.552 weight 1.000 ! spec=13C, no=7384, id=6580, vol=3.770000e+04
assign (segid "   B" and resid  225 and name  HG1) (segid "   B" and resid  225 and name   HB) 3.468 1.503 1.503 weight 1.000 ! spec=13C, no=7386, id=6582, vol=4.150000e+04
assign (segid "   B" and resid  225 and name  HG1) (segid "   B" and resid  225 and name   HA) 2.564 0.822 0.822 weight 1.000 ! spec=13C, no=7387, id=6583, vol=2.540000e+05
assign (segid "   B" and resid  226 and name  HB1) (segid "   B" and resid  226 and name  HB2) 2.504 0.783 0.783 weight 1.000 ! spec=13C, no=7389, id=6584, vol=2.930000e+05
assign (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   44 and name  HB1) 3.679 1.692 1.692 weight 1.000 ! spec=13C, no=7392, id=6586, vol=2.910000e+04
assign (segid "   A" and resid   44 and name  HB2) (segid "   A" and resid   44 and name  HB1) 2.391 0.715 0.715 weight 1.000 ! spec=13C, no=7393, id=6587, vol=3.860000e+05
assign (segid "   B" and resid  227 and name HD12) (segid "   B" and resid  227 and name  HB1) 1.663 0.346 0.346 weight 1.000 ! spec=13C, no=7395, id=6588, vol=3.410000e+06
assign (segid "   B" and resid  227 and name HD22) (segid "   B" and resid  227 and name  HB1) 2.741 0.939 0.939 weight 1.000 ! spec=13C, no=7396, id=6589, vol=1.700000e+05
assign (segid "   B" and resid  227 and name HD12) (segid "   B" and resid  227 and name   HG) 2.187 0.598 0.598 weight 1.000 ! spec=13C, no=7400, id=6593, vol=6.600000e+05
assign (segid "   A" and resid   45 and name  HA1) (segid "   B" and resid  229 and name   HN) 5.156 3.323 3.323 weight 1.000 ! spec=13C, no=7410, id=6599, vol=3.840000e+03
assign (segid "   B" and resid  229 and name  HG1) (segid "   B" and resid  229 and name   HN) 2.985 1.114 1.114 weight 1.000 ! spec=13C, no=7412, id=6601, vol=1.020000e+05
assign (segid "   B" and resid  229 and name  HB1) (segid "   B" and resid  229 and name   HA) 2.614 0.854 0.854 weight 1.000 ! spec=13C, no=7413, id=6602, vol=2.260000e+05
assign (segid "   B" and resid  229 and name  HB1) (segid "   B" and resid  229 and name  HB2) 2.082 0.542 0.542 weight 1.000 ! spec=13C, no=7415, id=6604, vol=8.850000e+05
assign (segid "   B" and resid  229 and name  HG1) (segid "   B" and resid  229 and name  HB2) 3.075 1.182 1.182 weight 1.000 ! spec=13C, no=7416, id=6605, vol=8.530000e+04
assign (segid "   B" and resid  229 and name  HB1) (segid "   B" and resid  229 and name  HG2) 2.100 0.552 0.552 weight 1.000 ! spec=13C, no=7420, id=6608, vol=8.400000e+05
assign (segid "   B" and resid  229 and name  HG1) (segid "   B" and resid  229 and name   HA) 2.913 1.061 1.061 weight 1.000 ! spec=13C, no=7421, id=6609, vol=1.180000e+05
assign (segid "   B" and resid  229 and name  HB1) (segid "   B" and resid  229 and name  HG1) 2.057 0.529 0.529 weight 1.000 ! spec=13C, no=7422, id=6610, vol=9.520000e+05
assign (segid "   B" and resid  230 and name  HD1) (segid "   B" and resid  230 and name  HB2) 2.264 0.641 0.641 weight 1.000 ! spec=13C, no=7424, id=6611, vol=5.360000e+05
assign (segid "   B" and resid  230 and name  HG1) (segid "   B" and resid  230 and name  HB2) 2.213 0.612 0.612 weight 1.000 ! spec=13C, no=7425, id=6612, vol=6.150000e+05
assign (segid "   B" and resid  230 and name  HD1) (segid "   B" and resid  230 and name  HD2) 2.603 0.847 0.847 weight 1.000 ! spec=13C, no=7426, id=6613, vol=2.320000e+05
assign (segid "   B" and resid  230 and name  HG1) (segid "   B" and resid  230 and name  HD2) 2.041 0.521 0.521 weight 1.000 ! spec=13C, no=7427, id=6614, vol=9.970000e+05
assign (segid "   B" and resid  230 and name  HG2) (segid "   B" and resid  230 and name  HD1) 2.870 1.030 1.030 weight 1.000 ! spec=13C, no=7430, id=6616, vol=1.290000e+05
assign (segid "   B" and resid  230 and name  HG1) (segid "   B" and resid  230 and name  HD1) 2.202 0.606 0.606 weight 1.000 ! spec=13C, no=7431, id=6617, vol=6.330000e+05
assign (segid "   B" and resid  230 and name   HA) (segid "   B" and resid  230 and name  HE2) 3.427 1.468 1.468 weight 1.000 ! spec=13C, no=7432, id=6618, vol=4.450000e+04
assign (segid "   B" and resid  230 and name  HG1) (segid "   B" and resid  230 and name  HG2) 1.971 0.486 0.486 weight 1.000 ! spec=13C, no=7433, id=6619, vol=1.230000e+06
assign (segid "   B" and resid  231 and name HD22) (segid "   B" and resid  231 and name  HB2) 2.897 1.049 1.049 weight 1.000 ! spec=13C, no=7437, id=6622, vol=1.220000e+05
assign (segid "   B" and resid  231 and name HD22) (segid "   B" and resid  231 and name   HG) 2.620 0.858 0.858 weight 1.000 ! spec=13C, no=7446, id=6628, vol=2.230000e+05
assign (segid "   B" and resid  232 and name  HG1) (segid "   B" and resid  232 and name   HA) 2.541 0.807 0.807 weight 1.000 ! spec=13C, no=7447, id=6629, vol=2.680000e+05
assign (segid "   B" and resid  232 and name  HG1) (segid "   B" and resid  232 and name   HB) 2.350 0.691 0.691 weight 1.000 ! spec=13C, no=7448, id=6630, vol=4.280000e+05
assign (segid "   B" and resid  233 and name  HB1) (segid "   B" and resid  233 and name   HA) 2.435 0.741 0.741 weight 1.000 ! spec=13C, no=7451, id=6632, vol=3.460000e+05
assign (segid "   B" and resid  233 and name  HB2) (segid "   B" and resid  233 and name  HB1) 1.956 0.478 0.478 weight 1.000 ! spec=13C, no=7452, id=6633, vol=1.290000e+06
assign (segid "   B" and resid  235 and name  HB1) (segid "   B" and resid  235 and name   HA) 2.867 1.027 1.027 weight 1.000 ! spec=13C, no=7454, id=6634, vol=1.300000e+05
assign (segid "   B" and resid  235 and name  HB1) (segid "   B" and resid  235 and name  HG2) 2.243 0.629 0.629 weight 1.000 ! spec=13C, no=7458, id=6637, vol=5.660000e+05
assign (segid "   B" and resid  235 and name  HB2) (segid "   B" and resid  235 and name  HG1) 2.909 1.058 1.058 weight 1.000 ! spec=13C, no=7460, id=6639, vol=1.190000e+05
assign (segid "   B" and resid  235 and name  HG1) (segid "   B" and resid  235 and name  HB1) 1.800 0.405 0.405 weight 1.000 ! spec=13C, no=7461, id=6640, vol=2.120000e+06
assign (segid "   B" and resid  236 and name HG22) (segid "   B" and resid  236 and name   HB) 2.412 0.727 0.727 weight 1.000 ! spec=13C, no=7464, id=6642, vol=3.660000e+05
assign (segid "   B" and resid  236 and name HG12) (segid "   B" and resid  236 and name   HB) 2.567 0.824 0.824 weight 1.000 ! spec=13C, no=7465, id=6643, vol=2.520000e+05
assign (segid "   B" and resid  236 and name HG22) (segid "   B" and resid  236 and name HG12) 1.993 0.497 0.497 weight 1.000 ! spec=13C, no=7468, id=6645, vol=1.150000e+06
assign (segid "   B" and resid  237 and name  HB1) (segid "   B" and resid  237 and name   HA) 3.305 1.365 1.365 weight 1.000 ! spec=13C, no=7471, id=6647, vol=5.540000e+04
assign (segid "   B" and resid  238 and name  HG1) (segid "   B" and resid  238 and name   HA) 3.055 1.166 1.166 weight 1.000 ! spec=13C, no=7474, id=6649, vol=8.880000e+04
assign (segid "   B" and resid  238 and name  HG1) (segid "   B" and resid  238 and name  HG2) 1.567 0.307 0.307 weight 1.000 ! spec=13C, no=7475, id=6650, vol=4.880000e+06
assign (segid "   B" and resid  240 and name HG12) (segid "   B" and resid  240 and name   HN) 2.384 0.710 0.710 weight 1.000 ! spec=13C, no=7479, id=6653, vol=3.930000e+05
assign (segid "   B" and resid  240 and name HG12) (segid "   B" and resid  240 and name   HB) 2.457 0.755 0.755 weight 1.000 ! spec=13C, no=7481, id=6655, vol=3.280000e+05
assign (segid "   B" and resid  240 and name HG11) (segid "   B" and resid  240 and name   HB) 2.382 0.709 0.709 weight 1.000 ! spec=13C, no=7482, id=6656, vol=3.950000e+05
assign (segid "   B" and resid  240 and name HD12) (segid "   B" and resid  240 and name   HB) 2.948 1.086 1.086 weight 1.000 ! spec=13C, no=7483, id=6657, vol=1.100000e+05
assign (segid "   B" and resid  240 and name HG22) (segid "   B" and resid  240 and name HG11) 2.870 1.030 1.030 weight 1.000 ! spec=13C, no=7489, id=6662, vol=1.290000e+05
assign (segid "   B" and resid  240 and name HG11) (segid "   B" and resid  240 and name HG12) 1.717 0.368 0.368 weight 1.000 ! spec=13C, no=7492, id=6664, vol=2.820000e+06
assign (segid "   B" and resid  240 and name HD12) (segid "   B" and resid  240 and name HG22) 2.258 0.637 0.637 weight 1.000 ! spec=13C, no=7495, id=6665, vol=5.440000e+05
assign (segid "   B" and resid  240 and name HD12) (segid "   B" and resid  240 and name HG12) 2.758 0.951 0.951 weight 1.000 ! spec=13C, no=7497, id=6667, vol=1.640000e+05
assign (segid "   B" and resid  241 and name  HB1) (segid "   B" and resid  241 and name   HA) 2.975 1.107 1.107 weight 1.000 ! spec=13C, no=7500, id=6669, vol=1.040000e+05
assign (segid "   B" and resid  241 and name  HB1) (segid "   B" and resid  241 and name  HB2) 2.378 0.707 0.707 weight 1.000 ! spec=13C, no=7501, id=6670, vol=3.990000e+05
assign (segid "   B" and resid  241 and name  HD2) (segid "   B" and resid  241 and name  HB1) 2.718 0.923 0.923 weight 1.000 ! spec=13C, no=7504, id=6672, vol=1.790000e+05
assign (segid "   B" and resid  241 and name  HG2) (segid "   B" and resid  241 and name   HE) 2.948 1.086 1.086 weight 1.000 ! spec=13C, no=7507, id=6675, vol=1.100000e+05
assign (segid "   B" and resid  241 and name  HG2) (segid "   B" and resid  241 and name  HB1) 2.303 0.663 0.663 weight 1.000 ! spec=13C, no=7508, id=6676, vol=4.840000e+05
assign (segid "   B" and resid  242 and name  HG1) (segid "   B" and resid  242 and name  HB2) 2.526 0.797 0.797 weight 1.000 ! spec=13C, no=7510, id=6678, vol=2.780000e+05
assign (segid "   B" and resid  244 and name  HB1) (segid "   B" and resid  244 and name  HB2) 2.104 0.553 0.553 weight 1.000 ! spec=13C, no=7512, id=6679, vol=8.310000e+05
assign (segid "   B" and resid  244 and name   HA) (segid "   B" and resid  244 and name  HB1) 1.946 0.473 0.473 weight 1.000 ! spec=13C, no=7513, id=6680, vol=1.330000e+06
assign (segid "   B" and resid  245 and name HD12) (segid "   B" and resid  245 and name   HN) 2.863 1.025 1.025 weight 1.000 ! spec=13C, no=7516, id=6682, vol=1.310000e+05
assign (segid "   B" and resid  245 and name HG22) (segid "   B" and resid  245 and name   HB) 3.086 1.190 1.190 weight 1.000 ! spec=13C, no=7519, id=6685, vol=8.360000e+04
assign (segid "   B" and resid  245 and name HG12) (segid "   B" and resid  245 and name   HB) 2.057 0.529 0.529 weight 1.000 ! spec=13C, no=7520, id=6686, vol=9.510000e+05
assign (segid "   B" and resid  245 and name HG11) (segid "   B" and resid  245 and name   HB) 1.850 0.428 0.428 weight 1.000 ! spec=13C, no=7521, id=6687, vol=1.800000e+06
assign (segid "   B" and resid  245 and name HD12) (segid "   B" and resid  245 and name   HB) 2.291 0.656 0.656 weight 1.000 ! spec=13C, no=7522, id=6688, vol=4.990000e+05
assign (segid "   B" and resid  245 and name HG12) (segid "   B" and resid  245 and name   HA) 2.571 0.826 0.826 weight 1.000 ! spec=13C, no=7526, id=6692, vol=2.500000e+05
assign (segid "   B" and resid  245 and name HG11) (segid "   B" and resid  245 and name HG12) 2.267 0.642 0.642 weight 1.000 ! spec=13C, no=7530, id=6695, vol=5.320000e+05
assign (segid "   B" and resid  245 and name HD12) (segid "   B" and resid  245 and name HG12) 2.236 0.625 0.625 weight 1.000 ! spec=13C, no=7533, id=6697, vol=5.780000e+05
assign (segid "   B" and resid  245 and name HG11) (segid "   B" and resid  245 and name   HA) 2.684 0.900 0.900 weight 1.000 ! spec=13C, no=7534, id=6698, vol=1.930000e+05
assign (segid "   B" and resid  245 and name HG22) (segid "   B" and resid  245 and name HG12) 2.744 0.941 0.941 weight 1.000 ! spec=13C, no=7544, id=6705, vol=1.690000e+05
assign (segid "   B" and resid  245 and name HG22) (segid "   B" and resid  245 and name HG11) 2.378 0.707 0.707 weight 1.000 ! spec=13C, no=7545, id=6706, vol=3.990000e+05
assign (segid "   B" and resid  245 and name   HA) (segid "   B" and resid  245 and name HD12) 2.216 0.614 0.614 weight 1.000 ! spec=13C, no=7547, id=6708, vol=6.090000e+05
assign (segid "   B" and resid  245 and name HD12) (segid "   B" and resid  245 and name HG11) 2.040 0.520 0.520 weight 1.000 ! spec=13C, no=7554, id=6714, vol=1.000000e+06
assign (segid "   B" and resid  246 and name  HB1) (segid "   B" and resid  246 and name   HA) 2.657 0.883 0.883 weight 1.000 ! spec=13C, no=7557, id=6716, vol=2.050000e+05
assign (segid "   B" and resid  250 and name   HA) (segid "   B" and resid  250 and name  HB1) 2.659 0.884 0.884 weight 1.000 ! spec=13C, no=7563, id=6720, vol=2.040000e+05
assign (segid "   B" and resid  250 and name  HB1) (segid "   B" and resid  250 and name  HB2) 1.809 0.409 0.409 weight 1.000 ! spec=13C, no=7564, id=6721, vol=2.060000e+06
assign (segid "   B" and resid  250 and name  HG2) (segid "   B" and resid  250 and name  HB1) 2.435 0.741 0.741 weight 1.000 ! spec=13C, no=7566, id=6722, vol=3.460000e+05
assign (segid "   B" and resid  251 and name HG22) (segid "   B" and resid  251 and name   HA) 2.291 0.656 0.656 weight 1.000 ! spec=13C, no=7568, id=6724, vol=4.990000e+05
assign (segid "   B" and resid  251 and name HG12) (segid "   B" and resid  251 and name   HB) 3.479 1.513 1.513 weight 1.000 ! spec=13C, no=7569, id=6725, vol=4.070000e+04
assign (segid "   B" and resid  251 and name HG22) (segid "   B" and resid  251 and name   HB) 2.603 0.847 0.847 weight 1.000 ! spec=13C, no=7570, id=6726, vol=2.320000e+05
assign (segid "   B" and resid  251 and name HG22) (segid "   B" and resid  251 and name HG12) 2.045 0.523 0.523 weight 1.000 ! spec=13C, no=7573, id=6728, vol=9.870000e+05
assign (segid "   B" and resid  252 and name   HA) (segid "   B" and resid  252 and name HD21) 2.930 1.073 1.073 weight 1.000 ! spec=13C, no=7576, id=6729, vol=1.140000e+05
assign (segid "   B" and resid  252 and name  HB2) (segid "   B" and resid  252 and name HD21) 2.897 1.049 1.049 weight 1.000 ! spec=13C, no=7577, id=6730, vol=1.220000e+05
assign (segid "   B" and resid  252 and name  HB1) (segid "   B" and resid  252 and name HD21) 2.353 0.692 0.692 weight 1.000 ! spec=13C, no=7578, id=6731, vol=4.250000e+05
assign (segid "   B" and resid  252 and name  HB1) (segid "   B" and resid  252 and name HD22) 2.021 0.510 0.510 weight 1.000 ! spec=13C, no=7579, id=6732, vol=1.060000e+06
assign (segid "   B" and resid  253 and name  HB1) (segid "   B" and resid  253 and name   HA) 2.943 1.083 1.083 weight 1.000 ! spec=13C, no=7580, id=6733, vol=1.110000e+05
assign (segid "   B" and resid  253 and name  HB1) (segid "   B" and resid  253 and name  HB2) 1.618 0.327 0.327 weight 1.000 ! spec=13C, no=7581, id=6734, vol=4.020000e+06
assign (segid "   B" and resid  256 and name  HB1) (segid "   B" and resid  256 and name   HN) 2.653 0.880 0.880 weight 1.000 ! spec=13C, no=7584, id=6736, vol=2.070000e+05
assign (segid "   B" and resid  256 and name  HB1) (segid "   B" and resid  256 and name   HA) 2.664 0.887 0.887 weight 1.000 ! spec=13C, no=7585, id=6737, vol=2.020000e+05
assign (segid "   B" and resid  256 and name  HB1) (segid "   B" and resid  256 and name  HD1) 2.905 1.055 1.055 weight 1.000 ! spec=13C, no=7587, id=6738, vol=1.200000e+05
assign (segid "   B" and resid  257 and name HG12) (segid "   B" and resid  257 and name   HN) 2.666 0.888 0.888 weight 1.000 ! spec=13C, no=7589, id=6740, vol=2.010000e+05
assign (segid "   B" and resid  257 and name HG12) (segid "   B" and resid  257 and name   HB) 2.340 0.684 0.684 weight 1.000 ! spec=13C, no=7592, id=6743, vol=4.400000e+05
assign (segid "   B" and resid  257 and name   HB) (segid "   B" and resid  257 and name HG22) 2.314 0.669 0.669 weight 1.000 ! spec=13C, no=7595, id=6745, vol=4.700000e+05
assign (segid "   B" and resid  258 and name  HB2) (segid "   B" and resid  258 and name  HB1) 1.517 0.288 0.288 weight 1.000 ! spec=13C, no=7598, id=6747, vol=5.920000e+06
assign (segid "   B" and resid  259 and name  HB1) (segid "   B" and resid  259 and name   HN) 2.193 0.601 0.601 weight 1.000 ! spec=13C, no=7601, id=6749, vol=6.490000e+05
assign (segid "   B" and resid  259 and name  HB1) (segid "   B" and resid  259 and name   HA) 2.562 0.821 0.821 weight 1.000 ! spec=13C, no=7602, id=6750, vol=2.550000e+05
assign (segid "   B" and resid  259 and name  HB1) (segid "   B" and resid  259 and name  HB2) 1.432 0.256 0.256 weight 1.000 ! spec=13C, no=7603, id=6751, vol=8.350000e+06
assign (segid "   B" and resid  259 and name  HB1) (segid "   B" and resid  259 and name  HE2) 2.401 0.720 0.720 weight 1.000 ! spec=13C, no=7608, id=6755, vol=3.770000e+05
assign (segid "   B" and resid  260 and name  HE2) (segid "   B" and resid  260 and name  HB1) 2.710 0.918 0.918 weight 1.000 ! spec=13C, no=7611, id=6757, vol=1.820000e+05
assign (segid "   B" and resid  260 and name  HG2) (segid "   B" and resid  260 and name  HB1) 2.301 0.662 0.662 weight 1.000 ! spec=13C, no=7612, id=6758, vol=4.860000e+05
assign (segid "   A" and resid   51 and name   HA) (segid "   B" and resid  260 and name  HE2) 3.376 1.425 1.425 weight 1.000 ! spec=13C, no=7614, id=6760, vol=4.870000e+04
assign (segid "   B" and resid  261 and name  HG1) (segid "   B" and resid  261 and name   HN) 1.901 0.452 0.452 weight 1.000 ! spec=13C, no=7616, id=6762, vol=1.530000e+06
assign (segid "   B" and resid  261 and name  HG1) (segid "   B" and resid  261 and name   HB) 2.042 0.521 0.521 weight 1.000 ! spec=13C, no=7618, id=6764, vol=9.950000e+05
assign (segid "   B" and resid  262 and name  HB2) (segid "   B" and resid  262 and name   HA) 2.552 0.814 0.814 weight 1.000 ! spec=13C, no=7620, id=6765, vol=2.610000e+05
assign (segid "   B" and resid  123 and name   HA) (segid "   B" and resid  127 and name  HD1) 3.603 1.622 1.622 weight 1.000 ! spec=13C, no=7622, id=6766, vol=3.300000e+04
assign (segid "   B" and resid  123 and name  HB2) (segid "   B" and resid  127 and name  HD1) 3.081 1.186 1.186 weight 1.000 ! spec=13C, no=7623, id=6767, vol=8.440000e+04
assign (segid "   B" and resid  123 and name  HG2) (segid "   B" and resid  127 and name  HD1) 2.526 0.797 0.797 weight 1.000 ! spec=13C, no=7624, id=6768, vol=2.780000e+05
assign (segid "   B" and resid  124 and name   HA) (segid "   B" and resid  127 and name  HD1) 5.808 4.216 4.216 weight 1.000 ! spec=13C, no=7625, id=6769, vol=1.880000e+03
assign (segid "   B" and resid  127 and name   HA) (segid "   B" and resid  127 and name  HD1) 3.590 1.611 1.611 weight 1.000 ! spec=13C, no=7627, id=6771, vol=3.370000e+04
assign (segid "   B" and resid  127 and name  HB2) (segid "   B" and resid  127 and name  HD1) 3.687 1.700 1.700 weight 1.000 ! spec=13C, no=7628, id=6772, vol=2.870000e+04
assign (segid "   B" and resid  184 and name  HB2) (segid "   B" and resid  127 and name  HD1) 4.732 2.798 2.798 weight 1.000 ! spec=13C, no=7629, id=6773, vol=6.430000e+03
assign (segid "   B" and resid  184 and name HD12) (segid "   B" and resid  127 and name  HD1) 4.012 2.012 2.012 weight 1.000 ! spec=13C, no=7630, id=6774, vol=1.730000e+04
assign (segid "   B" and resid  131 and name   HA) (segid "   B" and resid  131 and name  HD1) 3.863 1.866 1.866 weight 1.000 ! spec=13C, no=7632, id=6776, vol=2.170000e+04
assign (segid "   B" and resid  131 and name  HB2) (segid "   B" and resid  131 and name  HD1) 3.149 1.239 1.239 weight 1.000 ! spec=13C, no=7633, id=6777, vol=7.400000e+04
assign (segid "   B" and resid  134 and name  HB2) (segid "   B" and resid  131 and name  HD1) 3.468 1.503 1.503 weight 1.000 ! spec=13C, no=7634, id=6778, vol=4.150000e+04
assign (segid "   B" and resid  183 and name  HB2) (segid "   B" and resid  131 and name  HD1) 2.634 0.867 0.867 weight 1.000 ! spec=13C, no=7635, id=6779, vol=2.160000e+05
assign (segid "   B" and resid  133 and name   HA) (segid "   B" and resid  134 and name  HD2) 3.238 1.311 1.311 weight 1.000 ! spec=13C, no=7636, id=6780, vol=6.260000e+04
assign (segid "   B" and resid  133 and name  HB2) (segid "   B" and resid  134 and name  HD2) 3.821 1.825 1.825 weight 1.000 ! spec=13C, no=7637, id=6781, vol=2.320000e+04
assign (segid "   B" and resid  133 and name   HG) (segid "   B" and resid  134 and name  HD2) 3.878 1.880 1.880 weight 1.000 ! spec=13C, no=7638, id=6782, vol=2.120000e+04
assign (segid "   B" and resid  134 and name   HA) (segid "   B" and resid  134 and name  HD2) 3.192 1.274 1.274 weight 1.000 ! spec=13C, no=7639, id=6783, vol=6.820000e+04
assign (segid "   B" and resid  134 and name  HB2) (segid "   B" and resid  134 and name  HD2) 3.960 1.960 1.960 weight 1.000 ! spec=13C, no=7640, id=6784, vol=1.870000e+04
assign (segid "   B" and resid  150 and name   HB) (segid "   B" and resid  134 and name  HD2) 4.326 2.340 2.340 weight 1.000 ! spec=13C, no=7641, id=6785, vol=1.100000e+04
assign (segid "   B" and resid  151 and name  HE2) (segid "   B" and resid  151 and name   HA) 3.190 1.272 1.272 weight 1.000 ! spec=13C, no=7643, id=6787, vol=6.850000e+04
assign (segid "   B" and resid  164 and name  HB2) (segid "   B" and resid  161 and name   HA) 3.133 1.227 1.227 weight 1.000 ! spec=13C, no=7644, id=6788, vol=7.630000e+04
assign (segid "   B" and resid  163 and name   HA) (segid "   B" and resid  164 and name  HB2) 4.028 2.028 2.028 weight 1.000 ! spec=13C, no=7648, id=6792, vol=1.690000e+04
assign (segid "   B" and resid  164 and name  HB2) (segid "   B" and resid  164 and name   HA) 2.859 1.022 1.022 weight 1.000 ! spec=13C, no=7649, id=6793, vol=1.320000e+05
assign (segid "   B" and resid  164 and name  HG2) (segid "   B" and resid  164 and name  HB2) 1.879 0.441 0.441 weight 1.000 ! spec=13C, no=7651, id=6794, vol=1.640000e+06
assign (segid "   B" and resid  165 and name  HB2) (segid "   B" and resid  164 and name  HB2) 3.700 1.712 1.712 weight 1.000 ! spec=13C, no=7653, id=6796, vol=2.810000e+04
assign (segid "   B" and resid  165 and name   HA) (segid "   B" and resid  164 and name  HB2) 3.399 1.444 1.444 weight 1.000 ! spec=13C, no=7656, id=6799, vol=4.680000e+04
assign (segid "   B" and resid  164 and name  HB2) (segid "   B" and resid  167 and name   HB) 3.559 1.583 1.583 weight 1.000 ! spec=13C, no=7658, id=6801, vol=3.550000e+04
assign (segid "   B" and resid  128 and name   HA) (segid "   B" and resid  180 and name  HD2) 3.198 1.278 1.278 weight 1.000 ! spec=13C, no=7659, id=6802, vol=6.750000e+04
assign (segid "   B" and resid  131 and name   HA) (segid "   B" and resid  180 and name  HD2) 4.346 2.361 2.361 weight 1.000 ! spec=13C, no=7660, id=6803, vol=1.070000e+04
assign (segid "   B" and resid  131 and name  HB2) (segid "   B" and resid  180 and name  HD2) 4.137 2.139 2.139 weight 1.000 ! spec=13C, no=7661, id=6804, vol=1.440000e+04
assign (segid "   B" and resid  183 and name  HB2) (segid "   B" and resid  180 and name  HD2) 2.961 1.096 1.096 weight 1.000 ! spec=13C, no=7662, id=6805, vol=1.070000e+05
assign (segid "   B" and resid  184 and name   HG) (segid "   B" and resid  180 and name  HD2) 3.552 1.577 1.577 weight 1.000 ! spec=13C, no=7663, id=6806, vol=3.590000e+04
assign (segid "   B" and resid  131 and name   HA) (segid "   B" and resid  183 and name  HD2) 4.208 2.213 2.213 weight 1.000 ! spec=13C, no=7664, id=6807, vol=1.300000e+04
assign (segid "   B" and resid  131 and name  HB2) (segid "   B" and resid  183 and name  HD2) 3.623 1.641 1.641 weight 1.000 ! spec=13C, no=7665, id=6808, vol=3.190000e+04
assign (segid "   B" and resid  183 and name   HA) (segid "   B" and resid  183 and name  HD2) 3.461 1.497 1.497 weight 1.000 ! spec=13C, no=7666, id=6809, vol=4.200000e+04
assign (segid "   B" and resid  183 and name  HB2) (segid "   B" and resid  183 and name  HD2) 3.472 1.507 1.507 weight 1.000 ! spec=13C, no=7667, id=6810, vol=4.120000e+04
assign (segid "   B" and resid  184 and name   HG) (segid "   B" and resid  183 and name  HD2) 3.527 1.555 1.555 weight 1.000 ! spec=13C, no=7668, id=6811, vol=3.750000e+04
assign (segid "   B" and resid  186 and name  HE2) (segid "   B" and resid  170 and name   HA) 2.222 0.617 0.617 weight 1.000 ! spec=13C, no=7671, id=6814, vol=5.990000e+05
assign (segid "   B" and resid  170 and name   HB) (segid "   B" and resid  186 and name  HE2) 3.569 1.592 1.592 weight 1.000 ! spec=13C, no=7672, id=6815, vol=3.490000e+04
assign (segid "   B" and resid  192 and name  HD2) (segid "   B" and resid  191 and name  HE2) 3.054 1.166 1.166 weight 1.000 ! spec=13C, no=7673, id=6816, vol=8.890000e+04
assign (segid "   B" and resid  204 and name   HA) (segid "   B" and resid  204 and name  HD2) 3.533 1.560 1.560 weight 1.000 ! spec=13C, no=7675, id=6818, vol=3.710000e+04
assign (segid "   B" and resid  204 and name  HB2) (segid "   B" and resid  204 and name  HD2) 3.594 1.614 1.614 weight 1.000 ! spec=13C, no=7676, id=6819, vol=3.350000e+04
assign (segid "   B" and resid  253 and name  HB2) (segid "   B" and resid  204 and name  HD2) 3.457 1.493 1.493 weight 1.000 ! spec=13C, no=7679, id=6822, vol=4.230000e+04
assign (segid "   B" and resid  204 and name   HA) (segid "   B" and resid  207 and name  HD2) 4.614 2.661 2.661 weight 1.000 ! spec=13C, no=7680, id=6823, vol=7.480000e+03
assign (segid "   B" and resid  204 and name  HB2) (segid "   B" and resid  207 and name  HD2) 3.673 1.686 1.686 weight 1.000 ! spec=13C, no=7681, id=6824, vol=2.940000e+04
assign (segid "   B" and resid  207 and name   HA) (segid "   B" and resid  207 and name  HD2) 3.026 1.145 1.145 weight 1.000 ! spec=13C, no=7682, id=6825, vol=9.390000e+04
assign (segid "   B" and resid  207 and name  HB2) (segid "   B" and resid  207 and name  HD2) 3.749 1.757 1.757 weight 1.000 ! spec=13C, no=7683, id=6826, vol=2.600000e+04
assign (segid "   B" and resid  223 and name   HB) (segid "   B" and resid  207 and name  HD2) 3.422 1.464 1.464 weight 1.000 ! spec=13C, no=7684, id=6827, vol=4.490000e+04
assign (segid "   B" and resid  212 and name  HB2) (segid "   B" and resid  214 and name  HD2) 3.386 1.433 1.433 weight 1.000 ! spec=13C, no=7686, id=6829, vol=4.790000e+04
assign (segid "   B" and resid  213 and name  HA1) (segid "   B" and resid  214 and name  HD2) 4.502 2.533 2.533 weight 1.000 ! spec=13C, no=7687, id=6830, vol=8.670000e+03
assign (segid "   B" and resid  214 and name   HA) (segid "   B" and resid  214 and name  HD2) 4.208 2.213 2.213 weight 1.000 ! spec=13C, no=7688, id=6831, vol=1.300000e+04
assign (segid "   B" and resid  214 and name  HB2) (segid "   B" and resid  214 and name  HD2) 3.300 1.361 1.361 weight 1.000 ! spec=13C, no=7689, id=6832, vol=5.590000e+04
assign (segid "   B" and resid  259 and name  HB2) (segid "   B" and resid  239 and name  HE2) 3.574 1.597 1.597 weight 1.000 ! spec=13C, no=7691, id=6834, vol=3.460000e+04
assign (segid "   B" and resid  259 and name  HG2) (segid "   B" and resid  239 and name  HE2) 3.705 1.716 1.716 weight 1.000 ! spec=13C, no=7692, id=6835, vol=2.790000e+04
assign (segid "   B" and resid  213 and name  HA1) (segid "   B" and resid  253 and name  HD2) 3.265 1.333 1.333 weight 1.000 ! spec=13C, no=7693, id=6836, vol=5.950000e+04
assign (segid "   B" and resid  214 and name   HA) (segid "   B" and resid  253 and name  HD2) 4.118 2.119 2.119 weight 1.000 ! spec=13C, no=7694, id=6837, vol=1.480000e+04
assign (segid "   B" and resid  214 and name  HB2) (segid "   B" and resid  253 and name  HD2) 3.145 1.236 1.236 weight 1.000 ! spec=13C, no=7695, id=6838, vol=7.460000e+04
assign (segid "   B" and resid  215 and name   HA) (segid "   B" and resid  253 and name  HD2) 3.346 1.400 1.400 weight 1.000 ! spec=13C, no=7696, id=6839, vol=5.140000e+04
assign (segid "   B" and resid  215 and name   HB) (segid "   B" and resid  253 and name  HD2) 4.340 2.354 2.354 weight 1.000 ! spec=13C, no=7697, id=6840, vol=1.080000e+04
assign (segid "   B" and resid  252 and name   HA) (segid "   B" and resid  253 and name  HD2) 4.469 2.496 2.496 weight 1.000 ! spec=13C, no=7698, id=6841, vol=9.060000e+03
assign (segid "   B" and resid  253 and name   HA) (segid "   B" and resid  253 and name  HD2) 3.554 1.579 1.579 weight 1.000 ! spec=13C, no=7699, id=6842, vol=3.580000e+04
assign (segid "   B" and resid  253 and name  HB2) (segid "   B" and resid  253 and name  HD2) 3.231 1.305 1.305 weight 1.000 ! spec=13C, no=7700, id=6843, vol=6.340000e+04
assign (segid "   B" and resid  239 and name  HE2) (segid "   B" and resid  256 and name  HD2) 5.259 3.457 3.457 weight 1.000 ! spec=13C, no=7701, id=6844, vol=3.410000e+03
assign (segid "   B" and resid  256 and name   HA) (segid "   B" and resid  256 and name  HD2) 2.701 0.912 0.912 weight 1.000 ! spec=13C, no=7702, id=6845, vol=1.860000e+05
assign (segid "   B" and resid  256 and name  HB2) (segid "   B" and resid  256 and name  HD2) 4.482 2.511 2.511 weight 1.000 ! spec=13C, no=7703, id=6846, vol=8.900000e+03
assign (segid "   B" and resid  259 and name   HA) (segid "   B" and resid  256 and name  HD2) 3.652 1.667 1.667 weight 1.000 ! spec=13C, no=7704, id=6847, vol=3.040000e+04
assign (segid "   B" and resid  259 and name  HB2) (segid "   B" and resid  256 and name  HD2) 2.812 0.988 0.988 weight 1.000 ! spec=13C, no=7705, id=6848, vol=1.460000e+05
assign (segid "   B" and resid  259 and name  HE2) (segid "   B" and resid  256 and name  HD2) 4.060 2.061 2.061 weight 1.000 ! spec=13C, no=7706, id=6849, vol=1.610000e+04
assign (segid "   B" and resid  259 and name  HG2) (segid "   B" and resid  256 and name  HD2) 3.181 1.265 1.265 weight 1.000 ! spec=13C, no=7707, id=6850, vol=6.960000e+04
assign (segid "   B" and resid  260 and name  HE2) (segid "   B" and resid  256 and name  HD2) 3.551 1.576 1.576 weight 1.000 ! spec=13C, no=7708, id=6851, vol=3.600000e+04
assign (segid "   B" and resid  260 and name  HG2) (segid "   B" and resid  256 and name  HD2) 3.164 1.251 1.251 weight 1.000 ! spec=13C, no=7709, id=6852, vol=7.190000e+04

Contact the webmaster for help, if required. Sunday, May 5, 2024 7:15:53 PM GMT (wattos1)