NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
626236 5yz9 36143 cing 1-original 2 XPLOR/CNS distance NOE simple


# Restraints file 2: unambig_1119-ed
assign (segid "    " and resid    2 and name   HB) (segid "    " and resid    2 and name   HA) 2.570 0.826 0.826 weight 1.000 ! spec=CNOE, no=16, id=13, vol=6.871543e+07
assign (segid "    " and resid    2 and name   HB) (segid "    " and resid    2 and name HD1*) 2.823 0.796 0.796 weight 1.000 ! spec=CNOE, no=172, id=123, vol=7.678576e+07
assign (segid "    " and resid    2 and name   HB) (segid "    " and resid    2 and name HG2*) 2.390 0.714 0.714 weight 1.000 ! spec=CNOE, no=19, id=16, vol=1.062543e+08
assign (segid "    " and resid    2 and name   HB) (segid "    " and resid    2 and name   HN) 2.716 0.922 0.922 weight 1.000 ! spec=NNOE, no=11, id=429, vol=2.058098e+08
assign (segid "    " and resid    2 and name HD1*) (segid "    " and resid    2 and name   HA) 2.708 0.916 0.916 weight 1.000 ! spec=CNOE, no=17, id=14, vol=5.024022e+07
assign (segid "    " and resid    2 and name HD1*) (segid "    " and resid    2 and name   HN) 3.559 1.094 1.094 weight 1.000 ! spec=CNOE, no=791, id=420, vol=2.949732e+07
assign (segid "    " and resid    2 and name HD1*) (segid "    " and resid    3 and name HG2*) 2.853 1.000 1.000 weight 1.000 ! spec=CNOE, no=670, id=358, vol=1.988637e+08
assign (segid "    " and resid    2 and name HD1*) (segid "    " and resid    5 and name  HG1) 3.287 0.837 0.837 weight 1.000 ! spec=CNOE, no=173, id=124, vol=6.601563e+07
assign (segid "    " and resid    2 and name HG2*) (segid "    " and resid    2 and name   HA) 2.685 0.901 0.901 weight 1.000 ! spec=CNOE, no=18, id=15, vol=5.284619e+07
assign (segid "    " and resid    2 and name HG2*) (segid "    " and resid    2 and name HD1*) 3.000 0.800 0.800 weight 1.000 ! spec=CNOE, no=246, id=167, vol=2.148650e+08
assign (segid "    " and resid    2 and name HG2*) (segid "    " and resid    2 and name   HN) 3.093 1.196 1.196 weight 1.000 ! spec=CNOE, no=530, id=293, vol=2.260300e+07
assign (segid "    " and resid    2 and name HG2*) (segid "    " and resid    3 and name HG2*) 2.829 0.678 0.678 weight 1.000 ! spec=CNOE, no=245, id=166, vol=1.240359e+08
assign (segid "    " and resid    2 and name HG2*) (segid "    " and resid    3 and name   HN) 2.842 1.009 1.009 weight 1.000 ! spec=CNOE, no=528, id=291, vol=3.757767e+07
assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    2 and name   HA) 3.245 1.316 1.316 weight 1.000 ! spec=NNOE, no=17, id=434, vol=7.076658e+07
assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    2 and name HD1*) 3.214 1.292 1.292 weight 1.000 ! spec=NNOE, no=15, id=432, vol=7.487875e+07
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name   HB) 2.461 0.757 0.757 weight 1.000 ! spec=CNOE, no=25, id=22, vol=8.910127e+07
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name HG1*) 2.800 0.649 0.649 weight 1.000 ! spec=CNOE, no=268, id=177, vol=1.416171e+08
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name   HN) 2.630 0.865 0.865 weight 1.000 ! spec=CNOE, no=22, id=19, vol=5.980399e+07
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    6 and name  HB1) 3.500 0.900 0.900 weight 1.000 ! spec=CNOE, no=24, id=21, vol=5.487608e+07
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    6 and name  HB2) 3.200 0.800 0.800 weight 1.000 ! spec=CNOE, no=799, id=420, vol=2.949732e+07
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    6 and name   HN) 2.744 0.941 0.941 weight 1.000 ! spec=CNOE, no=736, id=392, vol=4.639843e+07
assign (segid "    " and resid    3 and name   HB) (segid "    " and resid    3 and name HG1*) 2.865 0.586 0.586 weight 1.000 ! spec=CNOE, no=266, id=176, vol=1.920851e+08
assign (segid "    " and resid    3 and name   HB) (segid "    " and resid    3 and name HG2*) 2.838 0.626 0.626 weight 1.000 ! spec=CNOE, no=31, id=27, vol=1.576967e+08
assign (segid "    " and resid    3 and name   HB) (segid "    " and resid    3 and name   HN) 2.872 0.704 0.704 weight 1.000 ! spec=CNOE, no=28, id=25, vol=1.110157e+08
assign (segid "    " and resid    3 and name HG1*) (segid "    " and resid   17 and (name  HD* or name HE*)) 3.200 0.800 0.800 weight 1.000 ! spec=CNOE, no=77, id=58, vol=1.176262e+08
assign (segid "    " and resid    3 and name HG1*) (segid "    " and resid    3 and name   HN) 3.000 0.617 0.617 weight 1.000 ! spec=CNOE, no=270, id=178, vol=1.642622e+08
assign (segid "    " and resid    3 and name HG2*) (segid "    " and resid    2 and name HG2*) 3.000 0.800 0.800 weight 1.000 ! spec=CNOE, no=858, id=420, vol=2.949732e+07
assign (segid "    " and resid    3 and name HG2*) (segid "    " and resid    2 and name   HN) 2.829 1.001 1.001 weight 1.000 ! spec=CNOE, no=548, id=296, vol=3.858129e+07
assign (segid "    " and resid    3 and name HG2*) (segid "    " and resid    3 and name   HN) 3.200 1.000 1.000 weight 1.000 ! spec=CNOE, no=273, id=180, vol=1.052009e+08
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    2 and name   HB) 2.813 0.989 0.989 weight 1.000 ! spec=NNOE, no=27, id=443, vol=1.668244e+08
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    7 and name  HB2) 2.023 0.511 0.511 weight 1.000 ! spec=CNOE, no=739, id=393, vol=2.890591e+08
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name   HA) 2.806 0.665 0.665 weight 1.000 ! spec=CNOE, no=38, id=30, vol=1.315596e+08
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name   HN) 2.460 0.756 0.756 weight 1.000 ! spec=CNOE, no=37, id=29, vol=8.939988e+07
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name   HA) 2.810 0.667 0.667 weight 1.000 ! spec=CNOE, no=39, id=31, vol=1.301354e+08
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name   HN) 2.802 0.782 0.782 weight 1.000 ! spec=CNOE, no=35, id=28, vol=8.077478e+07
assign (segid "    " and resid    4 and name  HG1) (segid "    " and resid    4 and name   HA) 2.861 0.757 0.757 weight 1.000 ! spec=CNOE, no=48, id=36, vol=8.903581e+07
assign (segid "    " and resid    4 and name  HG1) (segid "    " and resid    4 and name   HN) 2.642 0.872 0.872 weight 1.000 ! spec=CNOE, no=52, id=39, vol=5.822240e+07
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name   HN) 2.605 0.848 0.848 weight 1.000 ! spec=CNOE, no=51, id=38, vol=6.338511e+07
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    2 and name   HA) 3.190 1.272 1.272 weight 1.000 ! spec=NNOE, no=35, id=450, vol=7.832700e+07
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    3 and name   HB) 2.303 0.663 0.663 weight 1.000 ! spec=NNOE, no=30, id=446, vol=5.540119e+08
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    3 and name HG1*) 3.247 1.318 1.318 weight 1.000 ! spec=NNOE, no=31, id=447, vol=7.045531e+07
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    3 and name HG2*) 3.050 1.163 1.163 weight 1.000 ! spec=NNOE, no=32, id=448, vol=1.025794e+08
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    4 and name   HA) 2.873 1.032 1.032 weight 1.000 ! spec=NNOE, no=36, id=451, vol=1.467734e+08
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name   HN) 2.828 0.737 0.737 weight 1.000 ! spec=CNOE, no=54, id=40, vol=9.662951e+07
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name   HN) 2.618 0.857 0.857 weight 1.000 ! spec=CNOE, no=56, id=42, vol=6.151769e+07
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name   HA) 2.170 0.588 0.588 weight 1.000 ! spec=CNOE, no=620, id=331, vol=1.897985e+08
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name   HN) 2.625 0.861 0.861 weight 1.000 ! spec=CNOE, no=55, id=41, vol=6.051795e+07
assign (segid "    " and resid    5 and name  HG1) (segid "    " and resid    5 and name   HN) 2.581 0.833 0.833 weight 1.000 ! spec=NNOE, no=42, id=455, vol=2.794714e+08
assign (segid "    " and resid    5 and name  HG2) (segid "    " and resid    5 and name   HN) 2.918 1.064 1.064 weight 1.000 ! spec=CNOE, no=59, id=45, vol=3.207674e+07
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    2 and name   HA) 3.346 1.400 1.400 weight 1.000 ! spec=NNOE, no=41, id=454, vol=5.882956e+07
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    2 and name HD1*) 3.611 1.630 1.630 weight 1.000 ! spec=NNOE, no=527, id=830, vol=3.724909e+07
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name   HA) 2.935 1.077 1.077 weight 1.000 ! spec=NNOE, no=39, id=452, vol=1.291190e+08
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name  HB1) 2.906 1.056 1.056 weight 1.000 ! spec=NNOE, no=40, id=453, vol=1.370607e+08
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name  HB1) 3.500 1.200 1.200 weight 1.000 ! spec=CNOE, no=840, id=420, vol=2.949732e+07
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    2 and name HD1*) 3.344 1.398 1.398 weight 1.000 ! spec=NNOE, no=56, id=466, vol=5.907854e+07
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    3 and name HG2*) 3.800 1.500 1.500 weight 1.000 ! spec=NNOE, no=55, id=465, vol=4.825324e+07
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name  HB1) 2.789 0.972 0.972 weight 1.000 ! spec=NNOE, no=53, id=463, vol=1.754753e+08
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name  HG2) 3.390 1.437 1.437 weight 1.000 ! spec=NNOE, no=59, id=468, vol=5.438400e+07
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name   HA) 2.860 1.022 1.022 weight 1.000 ! spec=NNOE, no=49, id=460, vol=1.510474e+08
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name  HB1) 2.659 0.884 0.884 weight 1.000 ! spec=NNOE, no=52, id=462, vol=2.338340e+08
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name  HB2) 2.755 0.949 0.949 weight 1.000 ! spec=NNOE, no=57, id=467, vol=1.890437e+08
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name  HD*) 3.260 1.022 1.022 weight 1.000 ! spec=NNOE, no=48, id=460, vol=1.510474e+08
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    7 and name   HN) 2.966 1.099 1.099 weight 1.000 ! spec=NNOE, no=47, id=458, vol=1.214490e+08
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    7 and name  HB1) 3.160 1.248 1.248 weight 1.000 ! spec=NNOE, no=588, id=860, vol=8.294955e+07
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    7 and name  HB2) 2.572 0.827 0.827 weight 1.000 ! spec=NNOE, no=62, id=470, vol=2.854770e+08
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    7 and name  HD2) 3.497 1.528 1.528 weight 1.000 ! spec=NNOE, no=589, id=861, vol=4.520532e+07
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    5 and name   HA) 2.968 1.101 1.101 weight 1.000 ! spec=NNOE, no=593, id=864, vol=1.208486e+08
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name  HB1) 2.872 1.031 1.031 weight 1.000 ! spec=NNOE, no=68, id=474, vol=1.471178e+08
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name  HB2) 3.118 1.215 1.215 weight 1.000 ! spec=NNOE, no=138, id=526, vol=8.989051e+07
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name   HA) 3.190 1.272 1.272 weight 1.000 ! spec=NNOE, no=72, id=475, vol=7.835499e+07
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name  HB2) 2.911 1.059 1.059 weight 1.000 ! spec=NNOE, no=73, id=476, vol=1.357987e+08
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name  HG2) 3.029 1.147 1.647 weight 1.000 ! spec=NNOE, no=74, id=477, vol=1.069492e+08
assign (segid "    " and resid   10 and name  HA1) (segid "    " and resid   10 and name   HN) 2.682 0.899 0.899 weight 1.000 ! spec=CNOE, no=427, id=237, vol=5.319790e+07
assign (segid "    " and resid   10 and name  HA2) (segid "    " and resid   10 and name   HN) 2.442 0.746 0.746 weight 1.000 ! spec=CNOE, no=428, id=238, vol=9.327220e+07
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name   HN) 2.415 0.729 0.729 weight 1.000 ! spec=CNOE, no=441, id=247, vol=9.985751e+07
assign (segid "    " and resid   11 and name  HD1) (segid "    " and resid   11 and name  HB1) 3.800 1.200 1.200 weight 1.000 ! spec=CNOE, no=809, id=420, vol=2.949732e+07
assign (segid "    " and resid   11 and name  HD1) (segid "    " and resid   11 and name  HG1) 2.748 0.944 0.944 weight 1.000 ! spec=CNOE, no=145, id=105, vol=4.598073e+07
assign (segid "    " and resid   11 and name  HG1) (segid "    " and resid   11 and name  HD1) 2.875 0.705 0.705 weight 1.000 ! spec=CNOE, no=294, id=182, vol=1.102515e+08
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   11 and name  HD1) 2.875 0.705 0.705 weight 1.000 ! spec=CNOE, no=295, id=182, vol=1.102515e+08
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HB*) 2.980 0.490 0.490 weight 1.000 ! spec=CNOE, no=228, id=157, vol=3.287932e+08
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name  HB2) 3.356 1.408 1.408 weight 1.000 ! spec=NNOE, no=78, id=480, vol=5.782797e+07
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name   HA) 2.524 0.797 0.797 weight 1.000 ! spec=CNOE, no=431, id=240, vol=7.646507e+07
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name   HN) 2.902 1.053 1.053 weight 1.000 ! spec=CNOE, no=433, id=242, vol=3.312881e+07
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name   HN) 2.984 1.113 1.113 weight 1.000 ! spec=NNOE, no=80, id=482, vol=1.169157e+08
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   14 and name   HN) 3.500 1.200 1.200 weight 1.000 ! spec=NNOE, no=83, id=484, vol=1.411409e+08
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name   HA) 2.522 0.795 0.795 weight 1.000 ! spec=CNOE, no=429, id=239, vol=7.698650e+07
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name   HN) 2.886 1.041 1.041 weight 1.000 ! spec=CNOE, no=432, id=241, vol=3.426365e+07
assign (segid "    " and resid   13 and name  HG1) (segid "    " and resid   13 and name   HA) 3.200 0.800 0.800 weight 1.000 ! spec=CNOE, no=325, id=192, vol=1.070869e+08
assign (segid "    " and resid   13 and name  HG1) (segid "    " and resid   13 and name   HN) 3.537 1.200 1.200 weight 1.000 ! spec=CNOE, no=596, id=315, vol=1.578274e+08
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   13 and name   HA) 2.833 1.003 1.003 weight 1.000 ! spec=NNOE, no=79, id=481, vol=1.598448e+08
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   13 and name  HG2) 3.084 1.189 1.189 weight 1.000 ! spec=NNOE, no=82, id=483, vol=9.603496e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name   HB) 2.771 0.960 0.960 weight 1.000 ! spec=CNOE, no=634, id=297, vol=4.373847e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name HG1*) 2.804 0.800 0.800 weight 1.000 ! spec=CNOE, no=633, id=335, vol=2.281200e+08
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name   HN) 2.881 0.800 0.800 weight 1.000 ! spec=CNOE, no=68, id=50, vol=3.462230e+07
assign (segid "    " and resid   14 and name   HB) (segid "    " and resid   14 and name   HA) 2.815 0.990 0.990 weight 1.000 ! spec=CNOE, no=323, id=190, vol=3.979669e+07
assign (segid "    " and resid   14 and name   HB) (segid "    " and resid   14 and name HG2*) 2.815 0.990 0.990 weight 1.000 ! spec=CNOE, no=318, id=190, vol=3.979669e+07
assign (segid "    " and resid   14 and name   HB) (segid "    " and resid   14 and name   HN) 2.850 1.000 1.000 weight 1.000 ! spec=CNOE, no=699, id=373, vol=3.690464e+07
assign (segid "    " and resid   14 and name HG1*) (segid "    " and resid   14 and name   HA) 2.856 0.581 0.581 weight 1.000 ! spec=CNOE, no=238, id=158, vol=1.969637e+08
assign (segid "    " and resid   14 and name HG1*) (segid "    " and resid   14 and name   HB) 2.856 0.581 0.581 weight 1.000 ! spec=CNOE, no=236, id=158, vol=1.969637e+08
assign (segid "    " and resid   14 and name HG1*) (segid "    " and resid   14 and name   HN) 2.856 0.581 0.581 weight 1.000 ! spec=CNOE, no=235, id=158, vol=1.969637e+08
assign (segid "    " and resid   14 and name HG1*) (segid "    " and resid   15 and name   HA) 3.256 0.800 0.800 weight 1.000 ! spec=CNOE, no=393, id=158, vol=1.969637e+08
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name   HA) 2.786 0.970 0.970 weight 1.000 ! spec=NNOE, no=85, id=485, vol=1.765096e+08
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name HG1*) 2.926 1.070 1.070 weight 1.000 ! spec=NNOE, no=90, id=488, vol=1.317065e+08
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name   HN) 2.800 0.800 0.800 weight 1.000 ! spec=CNOE, no=612, id=326, vol=4.358850e+08
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name   HN) 2.352 0.691 0.691 weight 1.000 ! spec=NNOE, no=93, id=490, vol=4.880232e+08
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name   HN) 3.200 0.800 0.800 weight 1.000 ! spec=CNOE, no=611, id=325, vol=3.799844e+08
assign (segid "    " and resid   15 and name  HG2) (segid "    " and resid   15 and name   HA) 2.194 0.602 0.602 weight 1.000 ! spec=CNOE, no=394, id=220, vol=1.773987e+08
assign (segid "    " and resid   15 and name  HG2) (segid "    " and resid   15 and name   HN) 2.571 0.826 0.826 weight 1.000 ! spec=CNOE, no=437, id=244, vol=6.856434e+07
assign (segid "    " and resid   15 and name  HG2) (segid "    " and resid   16 and name   HN) 3.500 1.200 1.200 weight 1.000 ! spec=CNOE, no=438, id=245, vol=4.634504e+07
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name   HA) 2.800 0.400 0.400 weight 1.000 ! spec=CNOE, no=606, id=321, vol=5.888007e+08
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   16 and name   HA) 2.886 0.598 0.598 weight 1.000 ! spec=CNOE, no=134, id=99, vol=1.811647e+08
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   16 and name   HN) 2.845 0.688 0.688 weight 1.000 ! spec=CNOE, no=136, id=100, vol=1.189285e+08
assign (segid "    " and resid   16 and name  HG1) (segid "    " and resid   16 and name   HA) 2.887 0.773 0.773 weight 1.000 ! spec=CNOE, no=138, id=102, vol=8.355663e+07
assign (segid "    " and resid   16 and name  HG1) (segid "    " and resid   16 and name   HN) 2.748 0.944 0.944 weight 1.000 ! spec=CNOE, no=141, id=105, vol=4.598073e+07
assign (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name   HA) 2.802 0.663 0.663 weight 1.000 ! spec=CNOE, no=139, id=103, vol=1.328836e+08
assign (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name   HN) 2.582 0.833 0.833 weight 1.000 ! spec=CNOE, no=140, id=104, vol=6.679840e+07
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   17 and name   HN) 3.275 1.341 1.341 weight 1.000 ! spec=NNOE, no=91, id=489, vol=6.694065e+07
assign (segid "    " and resid   17 and name  HD*) (segid "    " and resid   17 and name  HB1) 3.800 1.200 1.200 weight 1.000 ! spec=CNOE, no=809, id=420, vol=2.949732e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   16 and name   HA) 2.752 0.947 0.947 weight 1.000 ! spec=NNOE, no=99, id=495, vol=1.901592e+08
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   16 and name  HB2) 3.167 1.254 1.254 weight 1.000 ! spec=NNOE, no=102, id=498, vol=8.180321e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name  HB1) 3.261 1.329 1.329 weight 1.000 ! spec=NNOE, no=101, id=497, vol=6.873666e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name  HB2) 3.421 1.463 1.463 weight 1.000 ! spec=NNOE, no=100, id=496, vol=5.156141e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name  HD1) 3.418 1.460 1.460 weight 1.000 ! spec=NNOE, no=98, id=494, vol=5.180448e+07
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   18 and name   HN) 2.897 1.049 1.049 weight 1.000 ! spec=CNOE, no=461, id=258, vol=3.350569e+07
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name  HB2) 3.634 1.651 1.651 weight 1.000 ! spec=NNOE, no=105, id=501, vol=3.588292e+07
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name   HA) 3.516 1.545 1.545 weight 1.000 ! spec=NNOE, no=104, id=500, vol=4.374502e+07
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HB2) 2.967 1.100 1.100 weight 1.000 ! spec=NNOE, no=108, id=504, vol=1.211092e+08
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name   HA) 2.104 0.553 0.553 weight 1.000 ! spec=CNOE, no=625, id=335, vol=2.281200e+08
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name   HN) 2.897 1.049 1.049 weight 1.000 ! spec=CNOE, no=425, id=235, vol=3.348496e+07
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name   HN) 2.915 1.062 1.062 weight 1.000 ! spec=NNOE, no=115, id=509, vol=1.347739e+08
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name   HA) 2.458 0.755 0.755 weight 1.000 ! spec=CNOE, no=422, id=233, vol=8.981644e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name  HB1) 1.991 0.495 0.495 weight 1.000 ! spec=CNOE, no=426, id=236, vol=3.179524e+08
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name   HN) 2.897 1.049 1.049 weight 1.000 ! spec=CNOE, no=442, id=235, vol=3.348496e+07
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name   HA) 2.685 0.901 0.901 weight 1.000 ! spec=NNOE, no=113, id=507, vol=2.203886e+08
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name   HA) 2.877 1.035 1.035 weight 1.000 ! spec=NNOE, no=112, id=506, vol=1.455800e+08
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name  HB2) 3.085 1.190 1.190 weight 1.000 ! spec=NNOE, no=114, id=508, vol=9.575242e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name   HA) 2.754 0.948 0.948 weight 1.000 ! spec=CNOE, no=447, id=251, vol=4.540661e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name  HD1) 2.719 0.924 0.924 weight 1.000 ! spec=CNOE, no=444, id=249, vol=4.901208e+07
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name   HA) 2.747 0.943 0.943 weight 1.000 ! spec=CNOE, no=445, id=250, vol=4.609894e+07
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name  HD1) 2.820 0.994 0.994 weight 1.000 ! spec=CNOE, no=443, id=248, vol=3.936963e+07
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name   HA) 2.957 1.093 1.093 weight 1.000 ! spec=NNOE, no=119, id=513, vol=1.236627e+08
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name  HB2) 2.734 0.934 0.934 weight 1.000 ! spec=NNOE, no=117, id=511, vol=1.980188e+08
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name  HD1) 2.993 1.120 1.120 weight 1.000 ! spec=NNOE, no=121, id=515, vol=1.149730e+08
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   21 and name   HN) 2.782 0.968 0.968 weight 1.000 ! spec=NNOE, no=120, id=514, vol=1.780837e+08
assign (segid "    " and resid   21 and name  HA1) (segid "    " and resid   21 and name  HA2) 2.251 0.634 0.634 weight 1.000 ! spec=CNOE, no=64, id=48, vol=1.520426e+08
assign (segid "    " and resid   21 and name  HA1) (segid "    " and resid   21 and name   HN) 2.615 0.855 0.855 weight 1.000 ! spec=CNOE, no=63, id=47, vol=6.194716e+07
assign (segid "    " and resid   21 and name  HA1) (segid "    " and resid   22 and name   HN) 2.935 1.077 1.077 weight 1.000 ! spec=NNOE, no=67, id=473, vol=1.292477e+08
assign (segid "    " and resid   21 and name  HA2) (segid "    " and resid   21 and name   HN) 2.629 0.864 0.864 weight 1.000 ! spec=CNOE, no=62, id=46, vol=5.989640e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name  HB1) 3.317 1.375 1.375 weight 1.000 ! spec=NNOE, no=128, id=520, vol=6.201192e+07
assign (segid "    " and resid   22 and name HG2*) (segid "    " and resid   22 and name   HA) 2.882 0.542 0.542 weight 1.000 ! spec=CNOE, no=81, id=61, vol=2.433037e+08
assign (segid "    " and resid   22 and name HG2*) (segid "    " and resid   22 and name   HN) 2.451 0.751 0.751 weight 1.000 ! spec=CNOE, no=76, id=57, vol=9.119764e+07
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name   HA) 2.810 0.987 0.987 weight 1.000 ! spec=NNOE, no=136, id=524, vol=1.678569e+08
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name   HN) 2.925 1.069 1.069 weight 1.000 ! spec=CNOE, no=457, id=256, vol=3.163085e+07
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   24 and name   HN) 2.857 1.020 1.020 weight 1.000 ! spec=CNOE, no=456, id=255, vol=3.638966e+07
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name   HN) 2.894 1.047 1.047 weight 1.000 ! spec=NNOE, no=139, id=527, vol=1.406465e+08
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name   HN) 3.014 1.136 1.136 weight 1.000 ! spec=CNOE, no=451, id=253, vol=2.639742e+07
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   24 and name   HN) 2.757 0.950 0.950 weight 1.000 ! spec=CNOE, no=453, id=254, vol=4.510316e+07
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name   HA) 2.726 0.929 0.929 weight 1.000 ! spec=NNOE, no=142, id=529, vol=2.013817e+08
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name  HD2) 2.894 1.047 1.047 weight 1.000 ! spec=NNOE, no=145, id=532, vol=1.406465e+08
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name  HG2) 2.976 1.107 1.107 weight 1.000 ! spec=NNOE, no=140, id=528, vol=1.189590e+08
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name   HN) 2.399 0.720 0.720 weight 1.000 ! spec=CNOE, no=83, id=62, vol=1.037774e+08
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   27 and name  HB1) 1.954 0.478 1.478 weight 1.000 ! spec=CNOE, no=740, id=394, vol=3.550647e+08
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   27 and name  HB2) 1.905 0.454 1.454 weight 1.000 ! spec=CNOE, no=747, id=396, vol=4.139728e+08
assign (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name   HN) 2.461 0.757 0.757 weight 1.000 ! spec=NNOE, no=149, id=534, vol=3.718304e+08
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name   HA) 2.828 0.621 0.621 weight 1.000 ! spec=CNOE, no=308, id=186, vol=1.616452e+08
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name   HN) 2.541 0.807 0.807 weight 1.000 ! spec=CNOE, no=86, id=64, vol=7.349207e+07
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name   HA) 2.247 0.631 0.631 weight 1.000 ! spec=CNOE, no=49, id=37, vol=1.538965e+08
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name   HN) 2.594 0.841 0.841 weight 1.000 ! spec=NNOE, no=151, id=536, vol=2.711874e+08
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name   HN) 3.092 1.195 1.195 weight 1.000 ! spec=NNOE, no=564, id=854, vol=9.452115e+07
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   28 and name  HB2) 2.948 0.474 0.474 weight 1.000 ! spec=CNOE, no=618, id=330, vol=3.623731e+08
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name   HN) 2.878 1.036 1.036 weight 1.000 ! spec=NNOE, no=23, id=439, vol=1.453050e+08
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   26 and name   HN) 2.661 0.885 0.885 weight 1.000 ! spec=NNOE, no=24, id=440, vol=2.325030e+08
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   27 and name   HN) 2.951 1.089 1.089 weight 1.000 ! spec=NNOE, no=22, id=438, vol=1.250375e+08
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name  HB2) 2.498 0.780 0.780 weight 1.000 ! spec=CNOE, no=636, id=340, vol=8.154624e+07
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name   HN) 2.433 0.740 0.740 weight 1.000 ! spec=CNOE, no=724, id=389, vol=9.531355e+07
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name   HN) 2.773 0.961 0.961 weight 1.000 ! spec=NNOE, no=590, id=862, vol=1.817533e+08
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name   HN) 2.730 0.931 0.931 weight 1.000 ! spec=CNOE, no=314, id=189, vol=4.785678e+07
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name   HA) 3.275 1.341 1.341 weight 1.000 ! spec=NNOE, no=158, id=542, vol=6.695536e+07
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name   HN) 2.514 0.790 0.790 weight 1.000 ! spec=NNOE, no=168, id=550, vol=3.269039e+08
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name   HN) 2.422 0.733 0.733 weight 1.000 ! spec=NNOE, no=167, id=549, vol=4.096212e+08
assign (segid "    " and resid   27 and name  HG2) (segid "    " and resid   27 and name   HN) 3.500 0.966 0.966 weight 1.000 ! spec=CNOE, no=701, id=377, vol=4.285174e+07
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name  HB1) 2.786 0.970 0.970 weight 1.000 ! spec=NNOE, no=165, id=547, vol=1.768424e+08
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name   HA) 2.723 0.927 0.927 weight 1.000 ! spec=NNOE, no=164, id=546, vol=2.024324e+08
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   28 and name   HN) 2.925 1.070 1.070 weight 1.000 ! spec=NNOE, no=163, id=545, vol=1.318368e+08
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name  HB2) 2.140 0.572 0.572 weight 1.000 ! spec=CNOE, no=46, id=35, vol=2.063188e+08
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name  HB2) 2.827 0.566 0.566 weight 1.000 ! spec=CNOE, no=349, id=200, vol=2.134827e+08
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name   HN) 2.533 0.802 0.802 weight 1.000 ! spec=CNOE, no=694, id=371, vol=7.489053e+07
assign (segid "    " and resid   28 and name  HB2) (segid "    " and resid   28 and name   HN) 2.340 0.685 0.685 weight 1.000 ! spec=NNOE, no=169, id=551, vol=5.029915e+08
assign (segid "    " and resid   28 and name  HB2) (segid "    " and resid   29 and name   HN) 2.547 0.811 0.811 weight 1.000 ! spec=NNOE, no=173, id=555, vol=3.028893e+08
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name  HG2) 2.977 1.108 1.108 weight 1.000 ! spec=NNOE, no=170, id=552, vol=1.186488e+08
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   29 and name   HN) 2.307 0.665 0.665 weight 1.000 ! spec=CNOE, no=116, id=87, vol=1.313558e+08
assign (segid "    " and resid   29 and name  HB*) (segid "    " and resid   26 and name   HA) 2.714 0.921 0.921 weight 1.000 ! spec=CNOE, no=217, id=150, vol=4.956114e+07
assign (segid "    " and resid   29 and name  HB*) (segid "    " and resid   29 and name   HA) 2.856 0.478 0.478 weight 1.000 ! spec=CNOE, no=212, id=146, vol=3.531441e+08
assign (segid "    " and resid   29 and name  HB*) (segid "    " and resid   29 and name   HN) 2.011 0.505 0.505 weight 1.000 ! spec=CNOE, no=213, id=147, vol=2.994306e+08
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   26 and name   HA) 3.235 1.308 1.308 weight 1.000 ! spec=NNOE, no=592, id=863, vol=7.212301e+07
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name   HN) 2.286 0.653 0.653 weight 1.000 ! spec=CNOE, no=584, id=313, vol=1.388029e+08
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   29 and name  HB*) 2.726 0.929 0.929 weight 1.000 ! spec=NNOE, no=181, id=561, vol=2.014953e+08
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   31 and name   HN) 2.697 0.909 0.909 weight 1.000 ! spec=NNOE, no=178, id=558, vol=2.145374e+08
assign (segid "    " and resid   31 and name  HB1) (segid "    " and resid   31 and name   HA) 2.815 0.613 0.613 weight 1.000 ! spec=CNOE, no=609, id=323, vol=1.674450e+08
assign (segid "    " and resid   31 and name  HB1) (segid "    " and resid   31 and name  HB2) 2.000 0.397 0.397 weight 1.000 ! spec=CNOE, no=91, id=69, vol=6.172305e+08
assign (segid "    " and resid   31 and name  HB2) (segid "    " and resid   31 and name   HA) 2.298 0.660 0.660 weight 1.000 ! spec=CNOE, no=93, id=70, vol=1.343341e+08
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   30 and name   HA) 2.684 0.900 0.900 weight 1.000 ! spec=NNOE, no=183, id=563, vol=2.210776e+08
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name   HA) 2.255 0.636 0.636 weight 1.000 ! spec=NNOE, no=182, id=562, vol=6.284587e+08
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name  HB1) 3.033 1.150 1.150 weight 1.000 ! spec=NNOE, no=184, id=564, vol=1.062192e+08
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name  HB2) 2.906 1.056 1.056 weight 1.000 ! spec=NNOE, no=185, id=565, vol=1.370835e+08
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name   HN) 2.800 0.661 0.661 weight 1.000 ! spec=CNOE, no=389, id=217, vol=1.337947e+08
assign (segid "    " and resid   32 and name  HB*) (segid "    " and resid   32 and name   HA) 2.086 0.544 0.544 weight 1.000 ! spec=CNOE, no=390, id=218, vol=2.405058e+08
assign (segid "    " and resid   32 and name  HB*) (segid "    " and resid   32 and name   HN) 2.029 0.515 0.515 weight 1.000 ! spec=CNOE, no=2, id=0, vol=2.835799e+08
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   31 and name   HA) 2.415 0.729 0.729 weight 1.000 ! spec=NNOE, no=187, id=567, vol=4.161958e+08
assign (segid "    " and resid   33 and name  HB1) (segid "    " and resid   33 and name   HA) 2.823 0.563 0.563 weight 1.000 ! spec=CNOE, no=100, id=74, vol=2.163286e+08
assign (segid "    " and resid   33 and name  HB1) (segid "    " and resid   33 and name   HN) 2.724 0.928 0.928 weight 1.000 ! spec=CNOE, no=96, id=72, vol=4.844676e+07
assign (segid "    " and resid   33 and name  HB2) (segid "    " and resid   33 and name   HA) 2.981 0.491 0.491 weight 1.000 ! spec=CNOE, no=646, id=347, vol=3.272697e+08
assign (segid "    " and resid   33 and name  HB2) (segid "    " and resid   33 and name   HN) 2.542 0.808 0.808 weight 1.000 ! spec=NNOE, no=193, id=572, vol=3.063218e+08
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name   HA) 2.076 0.539 0.539 weight 1.000 ! spec=NNOE, no=189, id=569, vol=1.031580e+09
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name  HB*) 3.200 0.800 0.800 weight 1.000 ! spec=NNOE, no=191, id=570, vol=4.081759e+08
assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid   34 and name   HN) 2.825 0.998 0.998 weight 1.000 ! spec=NNOE, no=200, id=577, vol=1.623939e+08
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   34 and name   HN) 2.800 1.000 1.000 weight 1.000 ! spec=NNOE, no=201, id=578, vol=4.083681e+08
assign (segid "    " and resid   34 and name  HG2) (segid "    " and resid   34 and name   HA) 2.774 0.962 0.962 weight 1.000 ! spec=CNOE, no=712, id=384, vol=4.346705e+07
assign (segid "    " and resid   34 and name  HG2) (segid "    " and resid   34 and name   HN) 2.406 0.724 0.724 weight 1.000 ! spec=NNOE, no=204, id=581, vol=4.255416e+08
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   33 and name  HB1) 3.291 1.354 1.354 weight 1.000 ! spec=NNOE, no=202, id=579, vol=6.499801e+07
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   33 and name  HB2) 3.285 1.349 1.349 weight 1.000 ! spec=NNOE, no=203, id=580, vol=6.579539e+07
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   33 and name   HN) 2.706 0.916 0.916 weight 1.000 ! spec=NNOE, no=206, id=583, vol=2.102205e+08
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name   HA) 2.959 1.094 1.094 weight 1.000 ! spec=NNOE, no=195, id=573, vol=1.231269e+08
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name  HD2) 3.688 1.700 1.700 weight 1.000 ! spec=NNOE, no=198, id=576, vol=3.284940e+07
assign (segid "    " and resid   36 and name  HB2) (segid "    " and resid   36 and name  HB1) 2.070 0.536 0.536 weight 1.000 ! spec=CNOE, no=587, id=314, vol=2.513908e+08
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name   HA) 2.747 0.943 0.943 weight 1.000 ! spec=NNOE, no=209, id=585, vol=1.922153e+08
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name   HA) 2.648 0.876 0.876 weight 1.000 ! spec=NNOE, no=208, id=584, vol=2.397793e+08
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name  HB1) 3.049 1.162 1.162 weight 1.000 ! spec=NNOE, no=210, id=586, vol=1.028762e+08
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name  HB2) 3.097 1.199 1.199 weight 1.000 ! spec=NNOE, no=211, id=587, vol=9.364645e+07
assign (segid "    " and resid   37 and name   HA) (segid "    " and resid   37 and name  HB2) 2.804 0.607 0.607 weight 1.000 ! spec=CNOE, no=607, id=322, vol=1.726520e+08
assign (segid "    " and resid   37 and name  HB*) (segid "    " and resid   37 and name   HN) 2.237 0.626 0.626 weight 1.000 ! spec=CNOE, no=588, id=315, vol=1.578274e+08
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name  HB1) 3.173 1.258 1.258 weight 1.000 ! spec=NNOE, no=214, id=589, vol=8.100257e+07
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name  HG2) 3.200 0.800 0.800 weight 1.000 ! spec=NNOE, no=213, id=588, vol=1.925992e+08
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   38 and name   HN) 2.969 1.102 1.102 weight 1.000 ! spec=NNOE, no=223, id=596, vol=1.204984e+08
assign (segid "    " and resid   38 and name  HG2) (segid "    " and resid   39 and name   HN) 3.018 1.138 1.138 weight 1.000 ! spec=CNOE, no=467, id=261, vol=2.621589e+07
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   37 and name   HA) 3.191 1.273 1.273 weight 1.000 ! spec=NNOE, no=222, id=595, vol=7.829195e+07
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   38 and name   HA) 3.039 1.154 1.154 weight 1.000 ! spec=NNOE, no=220, id=594, vol=1.049054e+08
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   39 and name   HN) 3.483 1.517 1.517 weight 1.000 ! spec=NNOE, no=224, id=597, vol=4.623600e+07
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   39 and name HD2*) 2.331 0.679 0.679 weight 1.000 ! spec=CNOE, no=102, id=76, vol=1.233952e+08
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   39 and name   HN) 2.439 0.743 0.743 weight 1.000 ! spec=CNOE, no=101, id=75, vol=9.411942e+07
assign (segid "    " and resid   39 and name  HB2) (segid "    " and resid   40 and name   HN) 3.438 1.477 1.477 weight 1.000 ! spec=CNOE, no=484, id=269, vol=1.199299e+07
assign (segid "    " and resid   39 and name HD1*) (segid "    " and resid   39 and name HD2*) 2.809 0.610 0.610 weight 1.000 ! spec=CNOE, no=475, id=264, vol=1.704456e+08
assign (segid "    " and resid   39 and name HD1*) (segid "    " and resid   39 and name   HN) 2.754 0.948 0.948 weight 1.000 ! spec=CNOE, no=472, id=262, vol=4.532869e+07
assign (segid "    " and resid   39 and name HD2*) (segid "    " and resid   39 and name   HA) 2.959 1.095 1.095 weight 1.000 ! spec=CNOE, no=482, id=268, vol=2.947598e+07
assign (segid "    " and resid   39 and name HD2*) (segid "    " and resid   39 and name  HB2) 2.326 0.676 0.676 weight 1.000 ! spec=CNOE, no=479, id=266, vol=1.249918e+08
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   38 and name   HA) 2.641 0.872 0.872 weight 1.000 ! spec=NNOE, no=231, id=604, vol=2.434334e+08
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   39 and name  HB2) 2.452 0.751 0.751 weight 1.000 ! spec=NNOE, no=237, id=609, vol=3.803247e+08
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   39 and name   HA) 2.669 0.891 0.891 weight 1.000 ! spec=NNOE, no=244, id=613, vol=2.282875e+08
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   40 and name   HA) 3.579 1.601 1.601 weight 1.000 ! spec=NNOE, no=243, id=612, vol=3.929123e+07
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   40 and name  HB2) 3.388 1.435 1.435 weight 1.000 ! spec=NNOE, no=246, id=615, vol=5.458489e+07
assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   41 and name  HB1) 2.850 1.000 1.000 weight 1.000 ! spec=CNOE, no=697, id=373, vol=3.690464e+07
assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   41 and name  HB2) 2.753 0.947 0.947 weight 1.000 ! spec=CNOE, no=685, id=367, vol=4.548160e+07
assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   42 and name   HN) 2.814 0.990 0.990 weight 1.000 ! spec=CNOE, no=573, id=305, vol=3.982344e+07
assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   76 and name   HN) 3.547 0.944 0.944 weight 1.000 ! spec=CNOE, no=689, id=368, vol=4.602141e+07
assign (segid "    " and resid   41 and name  HB2) (segid "    " and resid   41 and name  HD1) 2.773 0.961 0.961 weight 1.000 ! spec=CNOE, no=518, id=284, vol=4.356898e+07
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   40 and name   HA) 2.589 0.838 0.838 weight 1.000 ! spec=NNOE, no=252, id=616, vol=2.744108e+08
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   40 and name  HB2) 3.016 1.137 1.137 weight 1.000 ! spec=NNOE, no=257, id=618, vol=1.098098e+08
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   41 and name   HA) 3.314 1.373 1.373 weight 1.000 ! spec=NNOE, no=10, id=428, vol=6.235690e+07
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   41 and name  HB1) 3.296 1.358 1.358 weight 1.000 ! spec=NNOE, no=256, id=617, vol=6.440962e+07
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   41 and name  HB2) 3.276 1.342 1.342 weight 1.000 ! spec=NNOE, no=601, id=869, vol=6.679870e+07
assign (segid "    " and resid   42 and name   HA) (segid "    " and resid   42 and name  HB*) 2.272 0.645 0.645 weight 1.000 ! spec=CNOE, no=616, id=329, vol=1.438503e+08
assign (segid "    " and resid   42 and name  HB2) (segid "    " and resid   42 and name   HA) 2.602 0.846 0.846 weight 1.000 ! spec=CNOE, no=485, id=270, vol=6.380103e+07
assign (segid "    " and resid   42 and name  HB*) (segid "    " and resid   76 and name   HN) 3.800 1.800 1.800 weight 1.000 ! spec=NNOE, no=8, id=861, vol=4.520532e+07
assign (segid "    " and resid   42 and name  HD2) (segid "    " and resid   42 and name  HB*) 3.200 0.600 0.600 weight 1.000 ! spec=CNOE, no=450, id=252, vol=1.790719e+08
assign (segid "    " and resid   42 and name  HG1) (segid "    " and resid   42 and name   HN) 3.006 1.129 1.129 weight 1.000 ! spec=CNOE, no=493, id=272, vol=2.683768e+07
assign (segid "    " and resid   42 and name  HG2) (segid "    " and resid   42 and name   HA) 3.015 1.136 1.136 weight 1.000 ! spec=CNOE, no=494, id=273, vol=2.636079e+07
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   41 and name  HB1) 3.105 1.205 1.205 weight 1.000 ! spec=NNOE, no=4, id=422, vol=9.224126e+07
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   42 and name   HA) 3.391 1.437 1.437 weight 1.000 ! spec=NNOE, no=8, id=426, vol=5.437076e+07
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   42 and name  HB2) 3.182 1.265 1.265 weight 1.000 ! spec=NNOE, no=6, id=424, vol=7.961292e+07
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   42 and name  HG*) 3.236 1.309 1.309 weight 1.000 ! spec=NNOE, no=7, id=425, vol=7.192188e+07
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   75 and name   HA) 3.800 0.800 0.800 weight 1.000 ! spec=NNOE, no=605, id=869, vol=6.679870e+07
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   76 and name   HN) 2.800 0.800 0.800 weight 1.000 ! spec=NNOE, no=596, id=866, vol=9.818311e+07
assign (segid "    " and resid   43 and name  HB1) (segid "    " and resid   43 and name   HN) 2.563 0.821 0.821 weight 1.000 ! spec=NNOE, no=268, id=624, vol=2.914698e+08
assign (segid "    " and resid   43 and name  HB2) (segid "    " and resid   43 and name   HN) 2.815 0.990 0.990 weight 1.000 ! spec=CNOE, no=321, id=190, vol=3.979669e+07
assign (segid "    " and resid   43 and name  HD2) (segid "    " and resid   43 and name  HG2) 2.466 0.760 0.760 weight 1.000 ! spec=CNOE, no=499, id=276, vol=8.805234e+07
assign (segid "    " and resid   43 and name  HG1) (segid "    " and resid   43 and name   HN) 3.200 1.000 1.000 weight 1.000 ! spec=CNOE, no=498, id=275, vol=3.504434e+07
assign (segid "    " and resid   43 and name  HG2) (segid "    " and resid   43 and name   HN) 3.045 1.159 1.159 weight 1.000 ! spec=CNOE, no=496, id=274, vol=2.484346e+07
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   42 and name   HA) 2.585 0.836 0.836 weight 1.000 ! spec=NNOE, no=263, id=620, vol=2.765414e+08
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name   HA) 3.281 1.346 1.346 weight 1.000 ! spec=NNOE, no=264, id=621, vol=6.623283e+07
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name  HB2) 2.557 0.817 0.817 weight 1.000 ! spec=NNOE, no=269, id=625, vol=2.958037e+08
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name  HD2) 3.662 1.676 1.676 weight 1.000 ! spec=NNOE, no=265, id=622, vol=3.428120e+07
assign (segid "    " and resid   44 and name   HA) (segid "    " and resid   44 and name   HN) 2.097 0.550 0.550 weight 1.000 ! spec=CNOE, no=525, id=289, vol=2.326326e+08
assign (segid "    " and resid   44 and name   HB) (segid "    " and resid   44 and name   HN) 2.870 1.030 1.030 weight 1.000 ! spec=CNOE, no=401, id=223, vol=3.539329e+07
assign (segid "    " and resid   44 and name   HB) (segid "    " and resid   45 and name   HN) 3.230 1.304 1.304 weight 1.000 ! spec=NNOE, no=299, id=647, vol=7.270598e+07
assign (segid "    " and resid   44 and name HD1*) (segid "    " and resid   44 and name   HA) 3.200 1.000 1.000 weight 1.000 ! spec=CNOE, no=152, id=111, vol=5.780806e+07
assign (segid "    " and resid   44 and name HD1*) (segid "    " and resid   44 and name   HB) 2.519 0.793 0.793 weight 1.000 ! spec=CNOE, no=162, id=118, vol=7.738773e+07
assign (segid "    " and resid   44 and name HD1*) (segid "    " and resid   44 and name HG12) 2.834 0.624 0.624 weight 1.000 ! spec=CNOE, no=174, id=125, vol=1.590451e+08
assign (segid "    " and resid   44 and name HD1*) (segid "    " and resid   44 and name HG12) 2.893 0.601 0.601 weight 1.000 ! spec=CNOE, no=182, id=128, vol=1.778388e+08
assign (segid "    " and resid   44 and name HD1*) (segid "    " and resid   44 and name   HN) 2.759 0.952 0.952 weight 1.000 ! spec=NNOE, no=289, id=639, vol=1.872629e+08
assign (segid "    " and resid   44 and name HD1*) (segid "    " and resid   72 and name  HB1) 3.859 1.094 1.094 weight 1.000 ! spec=CNOE, no=795, id=420, vol=2.949732e+07
assign (segid "    " and resid   44 and name HD1*) (segid "    " and resid   72 and name  HB2) 3.859 1.094 1.094 weight 1.000 ! spec=CNOE, no=793, id=420, vol=2.949732e+07
assign (segid "    " and resid   44 and name HD1*) (segid "    " and resid   73 and name   HA) 3.339 1.393 1.393 weight 1.000 ! spec=CNOE, no=776, id=410, vol=1.429073e+07
assign (segid "    " and resid   44 and name HD1*) (segid "    " and resid   74 and name  HB*) 3.200 1.000 1.000 weight 1.000 ! spec=CNOE, no=768, id=406, vol=8.900780e+07
assign (segid "    " and resid   44 and name HD1*) (segid "    " and resid   74 and name  HG*) 4.200 1.800 1.800 weight 1.000 ! spec=CNOE, no=164, id=119, vol=4.932211e+07
assign (segid "    " and resid   44 and name HG11) (segid "    " and resid   44 and name   HN) 2.647 0.876 0.876 weight 1.000 ! spec=NNOE, no=288, id=638, vol=2.403729e+08
assign (segid "    " and resid   44 and name HG12) (segid "    " and resid   44 and name   HA) 3.255 0.881 0.881 weight 1.000 ! spec=CNOE, no=177, id=126, vol=5.657157e+07
assign (segid "    " and resid   44 and name HG2*) (segid "    " and resid   44 and name   HA) 2.396 0.717 0.717 weight 1.000 ! spec=CNOE, no=224, id=154, vol=1.047451e+08
assign (segid "    " and resid   44 and name HG2*) (segid "    " and resid   44 and name   HB) 2.872 0.645 0.645 weight 1.000 ! spec=CNOE, no=218, id=151, vol=1.439964e+08
assign (segid "    " and resid   44 and name HG2*) (segid "    " and resid   44 and name   HN) 3.200 0.800 0.800 weight 1.000 ! spec=CNOE, no=215, id=149, vol=7.880777e+07
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name   HA) 2.348 0.689 0.689 weight 1.000 ! spec=NNOE, no=286, id=636, vol=4.925922e+08
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name HG12) 2.938 1.079 1.079 weight 1.000 ! spec=NNOE, no=291, id=640, vol=1.284757e+08
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   74 and name   HN) 3.276 0.800 0.800 weight 1.000 ! spec=NNOE, no=605, id=869, vol=6.679870e+07
assign (segid "    " and resid   45 and name   HB) (segid "    " and resid   45 and name HG12) 2.546 0.810 0.810 weight 1.000 ! spec=CNOE, no=653, id=351, vol=7.266077e+07
assign (segid "    " and resid   45 and name HD1*) (segid "    " and resid   45 and name   HA) 3.607 0.849 0.849 weight 1.000 ! +1A spec=CNOE, no=151, id=110, vol=6.311696e+07
assign (segid "    " and resid   45 and name HD1*) (segid "    " and resid   45 and name   HB) 2.856 0.754 0.754 weight 1.000 ! spec=CNOE, no=157, id=115, vol=9.018001e+07
assign (segid "    " and resid   45 and name HD1*) (segid "    " and resid   45 and name HG12) 2.822 0.617 0.617 weight 1.000 ! spec=CNOE, no=158, id=116, vol=1.643322e+08
assign (segid "    " and resid   45 and name HD1*) (segid "    " and resid   45 and name   HN) 3.061 1.171 2.171 weight 1.000 ! spec=CNOE, no=156, id=114, vol=2.408435e+07
assign (segid "    " and resid   45 and name HG2*) (segid "    " and resid   45 and name   HA) 2.314 0.669 0.669 weight 1.000 ! spec=CNOE, no=210, id=144, vol=1.288621e+08
assign (segid "    " and resid   45 and name HG2*) (segid "    " and resid   45 and name   HB) 2.043 0.522 0.522 weight 1.000 ! spec=CNOE, no=194, id=136, vol=2.724561e+08
assign (segid "    " and resid   45 and name HG2*) (segid "    " and resid   45 and name   HN) 2.560 0.819 0.819 weight 1.000 ! spec=CNOE, no=214, id=148, vol=7.038910e+07
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   44 and name   HA) 2.260 0.638 0.638 weight 1.000 ! spec=NNOE, no=295, id=643, vol=6.207219e+08
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   45 and name   HB) 2.697 0.909 0.909 weight 1.000 ! spec=NNOE, no=296, id=644, vol=2.147515e+08
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   45 and name HD1*) 2.583 0.834 1.334 weight 1.000 ! spec=NNOE, no=298, id=646, vol=2.783985e+08
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   45 and name HG12) 2.762 0.954 0.954 weight 1.000 ! spec=NNOE, no=297, id=645, vol=1.859111e+08
assign (segid "    " and resid   46 and name  HB1) (segid "    " and resid   46 and name   HA) 2.794 0.976 0.976 weight 1.000 ! spec=CNOE, no=502, id=278, vol=4.158022e+07
assign (segid "    " and resid   46 and name  HB2) (segid "    " and resid   46 and name   HA) 2.580 0.832 0.832 weight 1.000 ! spec=CNOE, no=501, id=277, vol=6.704866e+07
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   45 and name   HA) 2.356 0.694 0.694 weight 1.000 ! spec=NNOE, no=277, id=629, vol=4.826431e+08
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   45 and name   HB) 3.312 1.371 1.371 weight 1.000 ! spec=NNOE, no=280, id=632, vol=6.263371e+07
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name   HA) 3.292 1.355 1.355 weight 1.000 ! spec=NNOE, no=273, id=627, vol=6.491167e+07
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name  HB1) 3.147 1.238 1.238 weight 1.000 ! spec=NNOE, no=279, id=631, vol=8.500052e+07
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name  HB2) 3.277 1.342 1.342 weight 1.000 ! spec=NNOE, no=278, id=630, vol=6.672401e+07
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name HD21) 3.320 1.378 1.378 weight 1.000 ! spec=NNOE, no=275, id=628, vol=6.164823e+07
assign (segid "    " and resid   48 and name  HB1) (segid "    " and resid   48 and name   HA) 2.873 0.828 0.828 weight 1.000 ! spec=CNOE, no=131, id=97, vol=6.816474e+07
assign (segid "    " and resid   48 and name  HB1) (segid "    " and resid   48 and name  HB2) 2.771 0.960 0.960 weight 1.000 ! spec=CNOE, no=563, id=297, vol=4.373847e+07
assign (segid "    " and resid   48 and name  HB2) (segid "    " and resid   48 and name   HA) 2.800 1.200 1.200 weight 1.000 ! spec=CNOE, no=831, id=420, vol=2.949732e+07
assign (segid "    " and resid   49 and name   HA) (segid "    " and resid   50 and name   HN) 2.338 0.683 0.683 weight 1.000 ! spec=CNOE, no=582, id=311, vol=1.211381e+08
assign (segid "    " and resid   49 and name   HB) (segid "    " and resid   49 and name   HN) 2.382 0.709 0.709 weight 1.000 ! spec=NNOE, no=303, id=651, vol=4.527059e+08
assign (segid "    " and resid   49 and name HG2*) (segid "    " and resid   49 and name   HA) 2.847 0.631 0.631 weight 1.000 ! spec=CNOE, no=8, id=6, vol=1.538082e+08
assign (segid "    " and resid   49 and name HG2*) (segid "    " and resid   49 and name   HB) 2.813 0.558 0.558 weight 1.000 ! spec=CNOE, no=288, id=183, vol=2.225359e+08
assign (segid "    " and resid   49 and name HG2*) (segid "    " and resid   50 and name   HN) 2.875 0.705 0.705 weight 1.000 ! spec=CNOE, no=285, id=182, vol=1.102515e+08
assign (segid "    " and resid   49 and name HG2*) (segid "    " and resid   71 and name   HA) 3.800 1.200 1.200 weight 1.000 ! spec=CNOE, no=801, id=420, vol=2.949732e+07
assign (segid "    " and resid   49 and name HG2*) (segid "    " and resid   71 and name HG2*) 3.200 0.800 0.800 weight 1.000 ! spec=CNOE, no=802, id=420, vol=2.949732e+07
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   48 and name   HA) 2.843 1.011 1.011 weight 1.000 ! spec=NNOE, no=302, id=650, vol=1.563008e+08
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name   HA) 2.695 0.908 0.908 weight 1.000 ! spec=NNOE, no=562, id=852, vol=2.155868e+08
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   50 and name   HN) 3.717 1.727 1.727 weight 1.000 ! spec=NNOE, no=308, id=654, vol=3.131146e+07
assign (segid "    " and resid   50 and name  HB1) (segid "    " and resid   50 and name   HA) 2.622 0.859 0.859 weight 1.000 ! spec=CNOE, no=412, id=228, vol=6.092853e+07
assign (segid "    " and resid   50 and name  HB1) (segid "    " and resid   50 and name   HN) 2.690 0.905 0.905 weight 1.000 ! spec=CNOE, no=411, id=227, vol=5.218892e+07
assign (segid "    " and resid   50 and name  HB1) (segid "    " and resid   50 and name   HN) 2.809 0.986 0.986 weight 1.000 ! spec=NNOE, no=318, id=660, vol=1.682895e+08
assign (segid "    " and resid   50 and name  HB2) (segid "    " and resid   50 and name   HA) 2.836 1.005 1.005 weight 1.000 ! spec=CNOE, no=413, id=229, vol=3.807870e+07
assign (segid "    " and resid   50 and name  HB2) (segid "    " and resid   50 and name  HB1) 2.238 0.626 0.626 weight 1.000 ! spec=CNOE, no=650, id=348, vol=1.573586e+08
assign (segid "    " and resid   50 and name  HB2) (segid "    " and resid   50 and name   HN) 2.809 0.986 0.986 weight 1.000 ! spec=NNOE, no=317, id=660, vol=1.682895e+08
assign (segid "    " and resid   50 and name  HB2) (segid "    " and resid   53 and name HD1*) 3.500 1.200 1.200 weight 1.000 ! spec=CNOE, no=406, id=224, vol=4.445250e+07
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name   HA) 3.019 1.140 1.140 weight 1.000 ! spec=NNOE, no=316, id=657, vol=1.090153e+08
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name HG2*) 3.203 1.283 1.283 weight 1.000 ! spec=NNOE, no=322, id=666, vol=7.644682e+07
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name   HA) 3.019 1.140 1.140 weight 1.000 ! spec=NNOE, no=314, id=657, vol=1.090153e+08
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   53 and name HD1*) 3.803 1.283 1.283 weight 1.000 ! spec=NNOE, no=324, id=666, vol=7.644682e+07
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   51 and name  HG1) 3.500 1.800 1.800 weight 1.000 ! spec=NNOE, no=319, id=660, vol=1.682895e+08
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   53 and name  HB2) 3.503 1.500 1.500 weight 1.000 ! spec=NNOE, no=321, id=666, vol=7.644682e+07
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   49 and name HG2*) 3.500 1.800 1.800 weight 1.000 ! spec=CNOE, no=107, id=80, vol=6.269404e+07
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   51 and name  HB2) 2.078 0.540 0.540 weight 1.000 ! spec=CNOE, no=109, id=82, vol=2.455697e+08
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   51 and name  HB2) 2.609 0.851 0.851 weight 1.000 ! spec=CNOE, no=109, id=80, vol=6.269404e+07
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   51 and name  HG1) 2.516 0.791 0.791 weight 1.000 ! spec=CNOE, no=386, id=216, vol=7.806397e+07
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   51 and name   HN) 2.609 0.851 0.851 weight 1.000 ! spec=CNOE, no=106, id=80, vol=6.269404e+07
assign (segid "    " and resid   51 and name  HB1) (segid "    " and resid   51 and name   HA) 2.817 0.730 0.730 weight 1.000 ! spec=CNOE, no=310, id=187, vol=9.925886e+07
assign (segid "    " and resid   51 and name  HB1) (segid "    " and resid   51 and name   HN) 2.625 0.861 0.861 weight 1.000 ! spec=CNOE, no=112, id=84, vol=6.049996e+07
assign (segid "    " and resid   51 and name  HB2) (segid "    " and resid   51 and name   HN) 2.252 0.634 0.634 weight 1.000 ! spec=NNOE, no=332, id=673, vol=6.337873e+08
assign (segid "    " and resid   51 and name  HG1) (segid "    " and resid   51 and name   HN) 2.597 0.843 0.843 weight 1.000 ! spec=CNOE, no=115, id=86, vol=6.455105e+07
assign (segid "    " and resid   51 and name  HG2) (segid "    " and resid   51 and name   HA) 2.800 0.775 0.775 weight 1.000 ! spec=CNOE, no=385, id=215, vol=8.319120e+07
assign (segid "    " and resid   51 and name  HG2) (segid "    " and resid   51 and name   HN) 2.378 0.707 0.707 weight 1.000 ! spec=NNOE, no=333, id=674, vol=4.568584e+08
assign (segid "    " and resid   51 and name  HG2) (segid "    " and resid   51 and name   HN) 2.597 0.843 0.843 weight 1.000 ! spec=CNOE, no=114, id=86, vol=6.455105e+07
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name   HA) 2.193 0.601 0.601 weight 1.000 ! spec=NNOE, no=329, id=670, vol=7.420132e+08
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name  HB2) 3.279 1.344 1.344 weight 1.000 ! spec=NNOE, no=331, id=672, vol=6.649121e+07
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   52 and name   HN) 2.847 1.013 1.013 weight 1.000 ! spec=NNOE, no=342, id=682, vol=1.551718e+08
assign (segid "    " and resid   52 and name  HB*) (segid "    " and resid   52 and name   HN) 2.338 0.683 0.683 weight 1.000 ! spec=CNOE, no=581, id=311, vol=1.211381e+08
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name   HA) 2.973 1.105 1.105 weight 1.000 ! spec=NNOE, no=340, id=680, vol=1.196792e+08
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name   HA) 2.769 0.959 0.959 weight 1.000 ! spec=NNOE, no=338, id=678, vol=1.831259e+08
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name  HB2) 2.541 0.807 0.807 weight 1.000 ! spec=NNOE, no=339, id=679, vol=3.065895e+08
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   53 and name   HN) 2.726 0.929 0.929 weight 1.000 ! spec=NNOE, no=341, id=681, vol=2.013411e+08
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name HD2*) 2.830 0.622 0.622 weight 1.000 ! spec=CNOE, no=117, id=88, vol=1.609017e+08
assign (segid "    " and resid   53 and name  HB2) (segid "    " and resid   53 and name  HB1) 2.629 0.864 0.864 weight 1.000 ! spec=CNOE, no=673, id=360, vol=5.989856e+07
assign (segid "    " and resid   53 and name  HB2) (segid "    " and resid   53 and name HD1*) 2.896 1.048 1.048 weight 1.000 ! spec=CNOE, no=672, id=359, vol=3.354471e+07
assign (segid "    " and resid   53 and name  HB2) (segid "    " and resid   53 and name   HN) 2.349 0.690 0.690 weight 1.000 ! spec=NNOE, no=349, id=688, vol=4.917054e+08
assign (segid "    " and resid   53 and name HD1*) (segid "    " and resid   53 and name HD2*) 2.139 0.572 0.572 weight 1.000 ! spec=CNOE, no=477, id=265, vol=2.065425e+08
assign (segid "    " and resid   53 and name HD1*) (segid "    " and resid   53 and name HD2*) 3.200 0.800 0.800 weight 1.000 ! spec=CNOE, no=803, id=420, vol=2.949732e+07
assign (segid "    " and resid   53 and name HD1*) (segid "    " and resid   53 and name   HN) 2.818 0.993 0.993 weight 1.000 ! spec=NNOE, no=348, id=687, vol=1.648750e+08
assign (segid "    " and resid   53 and name HD2*) (segid "    " and resid   53 and name   HA) 2.800 0.800 0.800 weight 1.000 ! spec=CNOE, no=253, id=170, vol=1.040598e+08
assign (segid "    " and resid   53 and name HD2*) (segid "    " and resid   53 and name   HN) 3.200 1.000 1.000 weight 1.000 ! spec=NNOE, no=347, id=686, vol=2.015941e+08
assign (segid "    " and resid   53 and name HD2*) (segid "    " and resid   53 and name   HN) 3.500 0.962 0.962 weight 1.000 ! spec=CNOE, no=713, id=384, vol=4.346705e+07
assign (segid "    " and resid   53 and name HD2*) (segid "    " and resid   53 and name   HN) 3.593 1.196 1.196 weight 1.000 ! spec=CNOE, no=530, id=293, vol=2.260300e+07
assign (segid "    " and resid   53 and name HD2*) (segid "    " and resid   54 and name   HN) 3.202 1.282 1.282 weight 1.000 ! spec=CNOE, no=532, id=295, vol=1.836671e+07
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name   HA) 2.553 0.815 0.815 weight 1.000 ! spec=NNOE, no=355, id=691, vol=2.985114e+08
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name  HB1) 2.550 0.813 0.813 weight 1.000 ! spec=NNOE, no=346, id=684, vol=3.006761e+08
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   54 and name   HN) 3.500 0.813 0.813 weight 1.000 ! spec=NNOE, no=344, id=684, vol=3.006761e+08
assign (segid "    " and resid   54 and name  HA1) (segid "    " and resid   54 and name  HA2) 2.036 0.570 0.570 weight 1.000 ! spec=CNOE, no=75, id=56, vol=2.083220e+08
assign (segid "    " and resid   54 and name  HA1) (segid "    " and resid   54 and name   HN) 2.841 0.745 0.745 weight 1.000 ! spec=CNOE, no=73, id=54, vol=9.367750e+07
assign (segid "    " and resid   54 and name  HA1) (segid "    " and resid   55 and name   HN) 2.434 0.740 0.740 weight 1.000 ! spec=NNOE, no=359, id=695, vol=3.975632e+08
assign (segid "    " and resid   54 and name  HA2) (segid "    " and resid   54 and name   HN) 2.859 0.756 0.756 weight 1.000 ! spec=CNOE, no=72, id=53, vol=8.962978e+07
assign (segid "    " and resid   54 and name  HA2) (segid "    " and resid   55 and name   HN) 2.546 0.810 0.810 weight 1.000 ! spec=NNOE, no=360, id=696, vol=3.033093e+08
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   53 and name  HB2) 3.091 1.194 1.194 weight 1.000 ! spec=NNOE, no=559, id=851, vol=9.475207e+07
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   53 and name HD1*) 3.597 1.617 1.617 weight 1.000 ! spec=NNOE, no=587, id=859, vol=3.814077e+07
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   56 and name  HB2) 3.232 1.306 1.306 weight 1.000 ! spec=NNOE, no=362, id=698, vol=7.243734e+07
assign (segid "    " and resid   56 and name  HB1) (segid "    " and resid   56 and name   HN) 3.056 1.167 1.167 weight 1.000 ! spec=CNOE, no=762, id=404, vol=2.429528e+07
assign (segid "    " and resid   56 and name  HB2) (segid "    " and resid   56 and name   HN) 2.966 1.100 1.100 weight 1.000 ! spec=CNOE, no=761, id=403, vol=2.906388e+07
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   55 and name   HA) 3.097 1.199 1.199 weight 1.000 ! spec=NNOE, no=364, id=699, vol=9.362309e+07
assign (segid "    " and resid   57 and name   HA) (segid "    " and resid   57 and name   HN) 2.454 0.753 0.753 weight 1.000 ! spec=CNOE, no=524, id=288, vol=9.065053e+07
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   57 and name   HA) 2.887 1.042 1.042 weight 1.000 ! spec=NNOE, no=376, id=711, vol=1.426107e+08
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name  HB1) 2.884 1.040 1.040 weight 1.000 ! spec=NNOE, no=372, id=707, vol=1.435068e+08
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name  HB2) 2.718 0.923 0.923 weight 1.000 ! spec=NNOE, no=373, id=708, vol=2.049086e+08
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name  HD2) 3.514 1.136 1.136 weight 1.000 ! spec=NNOE, no=371, id=706, vol=1.101478e+08
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   59 and name   HN) 2.835 1.005 1.005 weight 1.000 ! spec=NNOE, no=370, id=705, vol=1.591585e+08
assign (segid "    " and resid   59 and name   HA) (segid "    " and resid   59 and name HD1*) 2.655 0.881 0.881 weight 1.000 ! spec=CNOE, no=529, id=292, vol=5.650007e+07
assign (segid "    " and resid   59 and name   HA) (segid "    " and resid   59 and name   HN) 2.824 0.618 0.618 weight 1.000 ! spec=CNOE, no=41, id=32, vol=1.637415e+08
assign (segid "    " and resid   59 and name  HB1) (segid "    " and resid   59 and name HD1*) 2.451 0.751 0.751 weight 1.000 ! spec=CNOE, no=659, id=352, vol=9.127879e+07
assign (segid "    " and resid   59 and name  HB1) (segid "    " and resid   59 and name HD1*) 2.773 0.962 0.962 weight 1.000 ! spec=CNOE, no=652, id=350, vol=4.349025e+07
assign (segid "    " and resid   59 and name  HB1) (segid "    " and resid   60 and name   HN) 2.774 0.962 0.962 weight 1.000 ! spec=NNOE, no=391, id=723, vol=1.811457e+08
assign (segid "    " and resid   59 and name  HB2) (segid "    " and resid   60 and name   HN) 3.500 1.000 1.000 weight 1.000 ! spec=NNOE, no=392, id=724, vol=1.736352e+08
assign (segid "    " and resid   59 and name HD1*) (segid "    " and resid   59 and name   HA) 2.800 1.000 1.000 weight 1.000 ! spec=CNOE, no=663, id=353, vol=1.149903e+08
assign (segid "    " and resid   59 and name HD1*) (segid "    " and resid   59 and name  HB2) 2.359 0.695 0.695 weight 1.000 ! spec=CNOE, no=661, id=353, vol=1.149903e+08
assign (segid "    " and resid   59 and name HD1*) (segid "    " and resid   59 and name   HG) 2.800 0.800 0.800 weight 1.000 ! spec=CNOE, no=805, id=420, vol=2.949732e+07
assign (segid "    " and resid   59 and name HD2*) (segid "    " and resid   59 and name   HA) 2.800 1.000 1.000 weight 1.000 ! spec=CNOE, no=665, id=353, vol=1.149903e+08
assign (segid "    " and resid   59 and name HD2*) (segid "    " and resid   59 and name  HB1) 2.359 0.695 0.695 weight 1.000 ! spec=CNOE, no=660, id=353, vol=1.149903e+08
assign (segid "    " and resid   59 and name HD2*) (segid "    " and resid   59 and name  HB2) 2.359 0.695 0.695 weight 1.000 ! spec=CNOE, no=662, id=353, vol=1.149903e+08
assign (segid "    " and resid   59 and name HD2*) (segid "    " and resid   59 and name   HG) 2.774 0.962 0.962 weight 1.000 ! spec=CNOE, no=714, id=384, vol=4.346705e+07
assign (segid "    " and resid   59 and name   HG) (segid "    " and resid   59 and name HD1*) 2.628 0.863 0.863 weight 1.000 ! spec=CNOE, no=721, id=388, vol=6.011217e+07
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   56 and name  HB1) 3.161 1.249 2.249 weight 1.000 ! loosened spec=NNOE, no=385, id=718, vol=8.280410e+07
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name   HA) 3.202 1.281 1.281 weight 1.000 ! spec=NNOE, no=380, id=715, vol=7.671009e+07
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name  HB1) 3.082 1.187 1.187 weight 1.000 ! spec=NNOE, no=386, id=719, vol=9.636853e+07
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name  HB2) 2.955 1.091 1.091 weight 1.000 ! spec=NNOE, no=390, id=722, vol=1.241230e+08
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name HD1*) 2.952 1.090 1.090 weight 1.000 ! spec=NNOE, no=388, id=721, vol=1.247059e+08
assign (segid "    " and resid   60 and name   HA) (segid "    " and resid   60 and name   HN) 2.785 0.969 0.969 weight 1.000 ! spec=CNOE, no=572, id=304, vol=4.245977e+07
assign (segid "    " and resid   60 and name  HB1) (segid "    " and resid   60 and name   HA) 2.385 0.711 0.711 weight 1.000 ! spec=CNOE, no=570, id=303, vol=1.074322e+08
assign (segid "    " and resid   60 and name  HB1) (segid "    " and resid   60 and name  HB2) 2.248 0.632 0.632 weight 1.000 ! spec=CNOE, no=90, id=68, vol=1.534186e+08
assign (segid "    " and resid   60 and name  HB2) (segid "    " and resid   60 and name   HA) 2.364 0.698 0.698 weight 1.000 ! spec=CNOE, no=569, id=302, vol=1.135136e+08
assign (segid "    " and resid   60 and name  HB2) (segid "    " and resid   60 and name   HN) 2.929 1.073 1.073 weight 1.000 ! spec=CNOE, no=358, id=206, vol=3.133132e+07
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name   HA) 3.550 1.575 1.575 weight 1.000 ! spec=NNOE, no=394, id=726, vol=4.129605e+07
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name HD1*) 3.457 1.494 1.494 weight 1.000 ! spec=NNOE, no=393, id=725, vol=4.841616e+07
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name  HB1) 3.465 1.500 1.500 weight 1.000 ! spec=NNOE, no=396, id=728, vol=4.777212e+07
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   61 and name   HN) 2.919 1.065 1.065 weight 1.000 ! spec=NNOE, no=400, id=732, vol=1.336413e+08
assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   61 and name HG2*) 2.431 0.739 0.739 weight 1.000 ! spec=CNOE, no=574, id=306, vol=9.588442e+07
assign (segid "    " and resid   61 and name HG2*) (segid "    " and resid   61 and name   HB) 2.800 0.457 0.457 weight 1.000 ! spec=CNOE, no=239, id=160, vol=4.037957e+08
assign (segid "    " and resid   61 and name HG2*) (segid "    " and resid   61 and name   HN) 2.565 0.822 0.822 weight 1.000 ! spec=CNOE, no=240, id=161, vol=6.950002e+07
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   59 and name  HB2) 3.347 1.400 1.400 weight 1.000 ! spec=NNOE, no=409, id=740, vol=5.877980e+07
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name   HA) 3.549 1.575 1.575 weight 1.000 ! spec=NNOE, no=401, id=733, vol=4.132713e+07
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   61 and name   HB) 2.955 1.091 1.091 weight 1.000 ! spec=NNOE, no=403, id=735, vol=1.240829e+08
assign (segid "    " and resid   62 and name   HA) (segid "    " and resid   62 and name  HB1) 3.500 1.200 1.200 weight 1.000 ! spec=CNOE, no=843, id=420, vol=2.949732e+07
assign (segid "    " and resid   62 and name   HA) (segid "    " and resid   62 and name   HN) 2.800 0.800 0.800 weight 1.000 ! spec=CNOE, no=692, id=369, vol=7.968179e+07
assign (segid "    " and resid   62 and name  HB1) (segid "    " and resid   62 and name  HB2) 2.771 0.960 0.960 weight 1.000 ! spec=CNOE, no=565, id=297, vol=4.373847e+07
assign (segid "    " and resid   62 and name  HB1) (segid "    " and resid   62 and name   HN) 3.062 1.172 1.172 weight 1.000 ! spec=CNOE, no=332, id=195, vol=2.402821e+07
assign (segid "    " and resid   62 and name  HB1) (segid "    " and resid   64 and name   HN) 3.800 1.200 1.200 weight 1.000 ! spec=CNOE, no=334, id=195, vol=2.402821e+07
assign (segid "    " and resid   62 and name  HB2) (segid "    " and resid   62 and name   HN) 2.955 1.091 1.091 weight 1.000 ! spec=CNOE, no=786, id=417, vol=2.975737e+07
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   61 and name   HA) 3.142 1.234 1.234 weight 1.000 ! spec=NNOE, no=411, id=742, vol=8.585105e+07
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   62 and name   HA) 2.800 0.800 0.800 weight 1.000 ! spec=NNOE, no=626, id=869, vol=6.679870e+07
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   62 and name   HA) 3.012 1.134 1.134 weight 1.000 ! spec=NNOE, no=416, id=744, vol=1.106010e+08
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   62 and name  HB1) 3.012 1.134 1.134 weight 1.000 ! spec=NNOE, no=413, id=744, vol=1.106010e+08
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   62 and name  HB2) 2.983 1.112 1.112 weight 1.000 ! spec=NNOE, no=412, id=743, vol=1.173407e+08
assign (segid "    " and resid   63 and name  HB1) (segid "    " and resid   63 and name   HA) 2.548 0.812 0.812 weight 1.000 ! spec=CNOE, no=241, id=162, vol=7.231133e+07
assign (segid "    " and resid   63 and name  HB1) (segid "    " and resid   63 and name   HN) 3.112 1.211 1.211 weight 1.000 ! spec=CNOE, no=243, id=164, vol=2.178618e+07
assign (segid "    " and resid   63 and name  HB2) (segid "    " and resid   63 and name   HA) 2.409 0.725 0.725 weight 1.000 ! spec=CNOE, no=244, id=165, vol=1.012609e+08
assign (segid "    " and resid   63 and name  HB2) (segid "    " and resid   63 and name   HN) 2.994 1.121 1.121 weight 1.000 ! spec=NNOE, no=417, id=747, vol=1.145832e+08
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   63 and name   HA) 3.016 1.137 1.137 weight 1.000 ! spec=NNOE, no=415, id=745, vol=1.097359e+08
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   63 and name  HD1) 3.589 1.610 1.610 weight 1.000 ! spec=NNOE, no=418, id=748, vol=3.866498e+07
assign (segid "    " and resid   64 and name  HB1) (segid "    " and resid   64 and name   HA) 2.773 0.961 0.961 weight 1.000 ! spec=CNOE, no=784, id=416, vol=4.351115e+07
assign (segid "    " and resid   64 and name  HB2) (segid "    " and resid   64 and name   HA) 2.955 1.091 1.091 weight 1.000 ! spec=CNOE, no=785, id=417, vol=2.975737e+07
assign (segid "    " and resid   64 and name  HB2) (segid "    " and resid   64 and name   HN) 2.574 0.828 0.828 weight 1.000 ! spec=CNOE, no=21, id=18, vol=6.800998e+07
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name  HB2) 3.200 0.954 0.954 weight 1.000 ! spec=NNOE, no=420, id=750, vol=1.860621e+08
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name   HA) 3.185 1.268 1.268 weight 1.000 ! spec=NNOE, no=419, id=749, vol=7.918038e+07
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name  HB2) 2.762 0.954 0.954 weight 1.000 ! spec=NNOE, no=421, id=750, vol=1.860621e+08
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   65 and name   HA) 3.143 1.235 1.235 weight 1.000 ! spec=NNOE, no=425, id=754, vol=8.564391e+07
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   65 and name  HB2) 2.772 0.960 0.960 weight 1.000 ! spec=NNOE, no=424, id=753, vol=1.822663e+08
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   65 and name  HG2) 3.103 1.204 1.204 weight 1.000 ! spec=NNOE, no=423, id=752, vol=9.253593e+07
assign (segid "    " and resid   66 and name  HB1) (segid "    " and resid   66 and name   HA) 2.901 0.452 0.452 weight 1.000 ! spec=CNOE, no=605, id=320, vol=4.191187e+08
assign (segid "    " and resid   66 and name  HB1) (segid "    " and resid   66 and name   HN) 2.641 0.872 0.872 weight 1.000 ! spec=NNOE, no=426, id=755, vol=2.431754e+08
assign (segid "    " and resid   66 and name  HB2) (segid "    " and resid   66 and name   HA) 2.300 0.661 0.661 weight 1.000 ! spec=CNOE, no=388, id=217, vol=1.337947e+08
assign (segid "    " and resid   66 and name  HB2) (segid "    " and resid   66 and name   HN) 2.861 1.023 1.023 weight 1.000 ! spec=CNOE, no=383, id=214, vol=3.609459e+07
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   64 and name   HA) 3.892 1.355 1.355 weight 1.000 ! spec=NNOE, no=429, id=758, vol=6.492376e+07
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   65 and name  HB2) 3.014 1.136 1.136 weight 1.000 ! spec=NNOE, no=427, id=756, vol=1.101926e+08
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   66 and name   HA) 2.842 1.010 1.010 weight 1.000 ! spec=NNOE, no=431, id=759, vol=1.566358e+08
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   67 and name HG2*) 3.527 1.555 1.555 weight 1.000 ! spec=NNOE, no=428, id=757, vol=4.290788e+07
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   67 and name   HN) 3.200 1.000 1.000 weight 1.000 ! spec=NNOE, no=433, id=760, vol=1.650543e+08
assign (segid "    " and resid   67 and name   HA) (segid "    " and resid   67 and name HG2*) 2.800 0.560 0.560 weight 1.000 ! spec=CNOE, no=623, id=334, vol=2.200213e+08
assign (segid "    " and resid   67 and name   HA) (segid "    " and resid   67 and name   HN) 2.792 0.975 0.975 weight 1.000 ! spec=NNOE, no=436, id=762, vol=1.742543e+08
assign (segid "    " and resid   67 and name   HB) (segid "    " and resid   67 and name   HN) 3.000 0.800 0.800 weight 1.000 ! spec=CNOE, no=845, id=420, vol=2.949732e+07
assign (segid "    " and resid   67 and name HG2*) (segid "    " and resid   67 and name   HB) 2.801 0.406 0.406 weight 1.000 ! spec=CNOE, no=10, id=7, vol=5.790849e+08
assign (segid "    " and resid   67 and name HG2*) (segid "    " and resid   67 and name   HN) 2.571 0.826 0.826 weight 1.000 ! spec=CNOE, no=11, id=8, vol=6.855940e+07
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   68 and name   HN) 3.500 0.800 0.800 weight 1.000 ! +1A spec=NNOE, no=434, id=761, vol=4.199729e+08
assign (segid "    " and resid   68 and name  HB1) (segid "    " and resid   68 and name   HA) 3.014 1.136 1.136 weight 1.000 ! spec=CNOE, no=575, id=307, vol=2.637812e+07
assign (segid "    " and resid   68 and name  HB1) (segid "    " and resid   68 and name   HN) 2.893 1.046 1.046 weight 1.000 ! spec=NNOE, no=441, id=767, vol=1.408939e+08
assign (segid "    " and resid   68 and name  HB2) (segid "    " and resid   68 and name   HA) 2.998 1.124 1.124 weight 1.000 ! spec=CNOE, no=576, id=308, vol=2.723541e+07
assign (segid "    " and resid   68 and name  HB2) (segid "    " and resid   68 and name   HN) 2.895 1.048 1.048 weight 1.000 ! spec=NNOE, no=440, id=766, vol=1.403589e+08
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name   HA) 2.504 0.784 0.784 weight 1.000 ! spec=NNOE, no=443, id=769, vol=3.348375e+08
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name  HB2) 3.139 1.232 1.232 weight 1.000 ! spec=NNOE, no=445, id=771, vol=8.628831e+07
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name  HD2) 4.272 0.893 0.893 weight 1.000 ! +1A spec=NNOE, no=446, id=772, vol=2.269086e+08
assign (segid "    " and resid   70 and name  HD1) (segid "    " and resid   70 and name   HN) 2.596 0.842 0.842 weight 1.000 ! spec=NNOE, no=450, id=775, vol=2.700274e+08
assign (segid "    " and resid   70 and name  HD2) (segid "    " and resid   70 and name   HA) 3.080 1.186 1.186 weight 1.000 ! spec=CNOE, no=782, id=414, vol=2.320255e+07
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   69 and name   HN) 3.217 0.992 0.992 weight 1.000 ! spec=NNOE, no=448, id=774, vol=1.653324e+08
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   70 and name   HA) 2.684 0.900 0.900 weight 1.000 ! spec=NNOE, no=452, id=777, vol=2.211615e+08
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   70 and name  HB1) 2.689 0.904 0.904 weight 1.000 ! spec=NNOE, no=455, id=780, vol=2.187020e+08
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   70 and name  HB2) 2.639 0.870 0.870 weight 1.000 ! spec=NNOE, no=454, id=779, vol=2.447278e+08
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   70 and name  HE1) 3.428 1.469 1.469 weight 1.000 ! spec=NNOE, no=451, id=776, vol=5.091385e+07
assign (segid "    " and resid   71 and name   HA) (segid "    " and resid   71 and name HG1*) 2.877 0.592 0.592 weight 1.000 ! spec=CNOE, no=27, id=24, vol=1.859770e+08
assign (segid "    " and resid   71 and name   HA) (segid "    " and resid   71 and name HG1*) 3.200 1.200 1.200 weight 1.000 ! spec=CNOE, no=809, id=420, vol=2.949732e+07
assign (segid "    " and resid   71 and name   HA) (segid "    " and resid   71 and name   HN) 2.847 1.013 1.013 weight 1.000 ! spec=CNOE, no=789, id=419, vol=3.720560e+07
assign (segid "    " and resid   71 and name   HA) (segid "    " and resid   72 and name   HN) 2.279 0.649 0.649 weight 1.000 ! spec=CNOE, no=23, id=20, vol=1.412756e+08
assign (segid "    " and resid   71 and name   HB) (segid "    " and resid   71 and name HG2*) 2.824 0.797 0.797 weight 1.000 ! spec=CNOE, no=435, id=240, vol=7.646507e+07
assign (segid "    " and resid    3 and name HG1*) (segid "    " and resid    4 and name  HG2) 3.500 1.200 1.200 weight 1.000 ! spec=CNOE, no=860, id=420, vol=2.949732e+07
assign (segid "    " and resid   71 and name HG1*) (segid "    " and resid   71 and name   HB) 2.800 0.465 0.465 weight 1.000 ! spec=CNOE, no=261, id=172, vol=3.834110e+08
assign (segid "    " and resid   71 and name HG1*) (segid "    " and resid   71 and name   HN) 3.200 0.800 0.800 weight 1.000 ! spec=CNOE, no=4, id=2, vol=1.133412e+08
assign (segid "    " and resid   71 and name HG2*) (segid "    " and resid   71 and name   HA) 2.800 0.800 0.800 weight 1.000 ! spec=CNOE, no=254, id=170, vol=1.040598e+08
assign (segid "    " and resid   71 and name HG2*) (segid "    " and resid   71 and name   HB) 2.800 0.874 0.874 weight 1.000 ! spec=CNOE, no=255, id=171, vol=5.793860e+07
assign (segid "    " and resid   71 and name HG2*) (segid "    " and resid   71 and name   HN) 2.644 0.874 0.874 weight 1.000 ! spec=CNOE, no=256, id=171, vol=5.793860e+07
assign (segid "    " and resid   71 and name HG2*) (segid "    " and resid   72 and name   HN) 3.200 1.000 1.000 weight 1.000 ! spec=CNOE, no=80, id=60, vol=7.835639e+07
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   70 and name  HB2) 3.200 1.000 1.000 weight 1.000 ! spec=NNOE, no=379, id=714, vol=1.252127e+08
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   71 and name   HB) 2.655 0.881 0.881 weight 1.000 ! spec=NNOE, no=521, id=824, vol=2.357084e+08
assign (segid "    " and resid   72 and name  HB1) (segid "    " and resid   73 and name   HN) 2.968 1.101 1.101 weight 1.000 ! spec=NNOE, no=473, id=794, vol=1.208290e+08
assign (segid "    " and resid   72 and name  HB2) (segid "    " and resid   72 and name  HB1) 2.410 0.726 0.726 weight 1.000 ! spec=CNOE, no=328, id=194, vol=1.011391e+08
assign (segid "    " and resid   72 and name  HB2) (segid "    " and resid   72 and name   HN) 3.090 1.193 1.193 weight 1.000 ! spec=CNOE, no=343, id=197, vol=2.275950e+07
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   72 and name   HA) 3.656 1.671 1.671 weight 1.000 ! spec=NNOE, no=461, id=784, vol=3.460866e+07
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   73 and name   HN) 3.971 1.971 1.971 weight 1.000 ! spec=NNOE, no=462, id=785, vol=2.107955e+07
assign (segid "    " and resid   73 and name   HA) (segid "    " and resid   44 and name   HN) 3.800 0.800 0.800 weight 1.000 ! spec=CNOE, no=772, id=409, vol=3.057137e+07
assign (segid "    " and resid   73 and name   HA) (segid "    " and resid   45 and name   HA) 2.800 0.800 0.800 weight 1.000 ! spec=CNOE, no=643, id=344, vol=3.449990e+07
assign (segid "    " and resid   73 and name   HA) (segid "    " and resid   73 and name  HB2) 2.898 1.050 1.050 weight 1.000 ! spec=CNOE, no=644, id=345, vol=3.342295e+07
assign (segid "    " and resid   73 and name   HA) (segid "    " and resid   73 and name   HN) 2.800 0.800 0.800 weight 1.000 ! spec=CNOE, no=641, id=344, vol=3.449990e+07
assign (segid "    " and resid   73 and name   HA) (segid "    " and resid   74 and name   HN) 2.496 0.779 0.779 weight 1.000 ! spec=CNOE, no=639, id=343, vol=8.184305e+07
assign (segid "    " and resid   73 and name  HB1) (segid "    " and resid   73 and name  HE*) 3.500 1.500 1.500 weight 1.000 ! spec=CNOE, no=360, id=208, vol=5.239953e+07
assign (segid "    " and resid   73 and name  HB1) (segid "    " and resid   73 and name   HN) 3.023 1.143 1.143 weight 1.000 ! spec=CNOE, no=367, id=211, vol=2.592134e+07
assign (segid "    " and resid   73 and name  HB1) (segid "    " and resid   74 and name   HN) 3.500 1.000 1.000 weight 1.000 ! spec=NNOE, no=487, id=800, vol=1.272030e+08
assign (segid "    " and resid   73 and name  HB2) (segid "    " and resid   73 and name   HN) 2.987 1.115 1.115 weight 1.000 ! spec=CNOE, no=362, id=209, vol=2.786870e+07
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   72 and name   HA) 2.884 1.040 1.040 weight 1.000 ! spec=NNOE, no=472, id=793, vol=1.435690e+08
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   72 and name  HB2) 3.165 1.252 1.252 weight 1.000 ! spec=NNOE, no=474, id=795, vol=8.225616e+07
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   73 and name   HA) 3.146 1.237 1.237 weight 1.000 ! spec=NNOE, no=471, id=792, vol=8.526540e+07
assign (segid "    " and resid   74 and name   HA) (segid "    " and resid   75 and name   HN) 2.800 0.800 0.800 weight 1.000 ! spec=CNOE, no=103, id=77, vol=3.249982e+08
assign (segid "    " and resid   74 and name  HB2) (segid "    " and resid   74 and name   HA) 2.387 0.712 0.712 weight 1.000 ! spec=CNOE, no=324, id=192, vol=1.070869e+08
assign (segid "    " and resid   74 and name  HG2) (segid "    " and resid   74 and name   HA) 3.282 0.770 0.770 weight 1.000 ! spec=CNOE, no=486, id=271, vol=8.467950e+07
assign (segid "    " and resid   74 and name   HN) (segid "    " and resid   43 and name   HA) 4.200 0.500 0.500 weight 1.000 ! spec=NNOE, no=486, id=799, vol=6.859551e+07
assign (segid "    " and resid   74 and name   HN) (segid "    " and resid   44 and name HD1*) 3.300 0.800 0.800 weight 1.000 ! spec=NNOE, no=493, id=804, vol=6.101747e+07
assign (segid "    " and resid   74 and name   HN) (segid "    " and resid   44 and name   HN) 3.276 0.800 0.800 weight 1.000 ! spec=NNOE, no=606, id=869, vol=6.679870e+07
assign (segid "    " and resid   74 and name   HN) (segid "    " and resid   73 and name  HB2) 3.800 0.800 0.800 weight 1.000 ! +1A spec=NNOE, no=488, id=801, vol=2.259172e+08
assign (segid "    " and resid   74 and name   HN) (segid "    " and resid   74 and name   HA) 2.937 1.078 1.078 weight 1.000 ! spec=NNOE, no=484, id=798, vol=1.286310e+08
assign (segid "    " and resid   75 and name   HA) (segid "    " and resid   75 and name   HN) 2.507 0.786 0.786 weight 1.000 ! spec=CNOE, no=691, id=369, vol=7.968179e+07
assign (segid "    " and resid   75 and name   HB) (segid "    " and resid   75 and name   HA) 2.896 1.048 1.048 weight 1.000 ! spec=CNOE, no=192, id=135, vol=3.353873e+07
assign (segid "    " and resid   75 and name   HB) (segid "    " and resid   75 and name HG2*) 2.800 0.600 0.600 weight 1.000 ! spec=CNOE, no=198, id=139, vol=1.743880e+08
assign (segid "    " and resid   75 and name   HB) (segid "    " and resid   75 and name   HN) 2.471 0.763 0.763 weight 1.000 ! spec=NNOE, no=499, id=808, vol=3.630937e+08
assign (segid "    " and resid   75 and name HD1*) (segid "    " and resid   75 and name   HA) 2.981 1.111 1.111 weight 1.000 ! spec=CNOE, no=187, id=132, vol=2.821342e+07
assign (segid "    " and resid   75 and name HD1*) (segid "    " and resid   75 and name   HB) 2.840 0.806 0.806 weight 1.000 ! spec=CNOE, no=185, id=130, vol=7.372998e+07
assign (segid "    " and resid   75 and name HD1*) (segid "    " and resid   75 and name HG1*) 2.420 0.732 0.732 weight 1.000 ! spec=CNOE, no=186, id=131, vol=9.860777e+07
assign (segid "    " and resid   75 and name HD1*) (segid "    " and resid   75 and name   HN) 3.015 1.136 1.136 weight 1.000 ! spec=CNOE, no=154, id=112, vol=2.633718e+07
assign (segid "    " and resid   75 and name HG12) (segid "    " and resid   75 and name HG2*) 2.379 0.707 0.707 weight 1.000 ! spec=CNOE, no=209, id=143, vol=1.092609e+08
assign (segid "    " and resid   75 and name HG12) (segid "    " and resid   75 and name   HN) 2.665 0.888 0.888 weight 1.000 ! spec=NNOE, no=502, id=810, vol=2.304326e+08
assign (segid "    " and resid   75 and name HG12) (segid "    " and resid   75 and name   HN) 3.200 1.000 1.000 weight 1.000 ! spec=CNOE, no=201, id=140, vol=4.884494e+07
assign (segid "    " and resid   75 and name HG2*) (segid "    " and resid   75 and name   HA) 2.433 0.740 0.740 weight 1.000 ! spec=CNOE, no=723, id=389, vol=9.531355e+07
assign (segid "    " and resid   75 and name HG2*) (segid "    " and resid   75 and name   HN) 2.800 1.000 1.000 weight 1.000 ! spec=CNOE, no=196, id=137, vol=8.288514e+07
assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   42 and name   HN) 2.800 0.800 0.800 weight 1.000 ! spec=NNOE, no=611, id=869, vol=6.679870e+07
assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   75 and name   HA) 2.507 0.786 0.786 weight 1.000 ! spec=NNOE, no=504, id=812, vol=3.323651e+08
assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   75 and name   HB) 3.203 1.283 1.283 weight 1.000 ! spec=NNOE, no=509, id=816, vol=7.646736e+07
assign (segid "    " and resid   77 and name   HA) (segid "    " and resid   77 and name  HB*) 2.976 0.488 0.488 weight 1.000 ! spec=CNOE, no=227, id=156, vol=3.324691e+08
assign (segid "    " and resid   77 and name  HB*) (segid "    " and resid   77 and name   HN) 2.856 0.581 0.581 weight 1.000 ! spec=CNOE, no=229, id=158, vol=1.969637e+08
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   76 and name   HA) 2.376 0.705 0.705 weight 1.000 ! spec=NNOE, no=515, id=819, vol=4.596535e+08
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   77 and name   HA) 2.949 1.087 1.087 weight 1.000 ! spec=NNOE, no=516, id=820, vol=1.255740e+08
assign (segid "    " and resid   78 and name   HA) (segid "    " and resid   79 and name   HN) 2.480 0.769 0.769 weight 1.000 ! spec=CNOE, no=622, id=333, vol=8.508037e+07
assign (segid "    " and resid   78 and name  HB2) (segid "    " and resid   78 and name   HA) 2.378 0.707 0.707 weight 1.000 ! spec=CNOE, no=578, id=309, vol=1.095088e+08
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   79 and name   HA) 3.170 1.256 1.256 weight 1.000 ! spec=NNOE, no=529, id=832, vol=8.148101e+07
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name   HA) 2.307 0.665 0.665 weight 1.000 ! spec=NNOE, no=547, id=843, vol=5.481623e+08
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   80 and name   HA) 2.613 0.853 0.853 weight 1.000 ! spec=NNOE, no=532, id=833, vol=2.598183e+08
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   80 and name  HB2) 3.037 1.153 1.153 weight 1.000 ! spec=NNOE, no=534, id=835, vol=1.053301e+08
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name  HB1) 2.885 1.041 1.041 weight 1.000 ! spec=NNOE, no=537, id=837, vol=1.431759e+08
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name  HB2) 2.882 1.038 1.038 weight 1.000 ! spec=NNOE, no=533, id=834, vol=1.441416e+08
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name  HG2) 3.211 1.289 1.289 weight 1.000 ! spec=NNOE, no=538, id=838, vol=7.533380e+07
assign (segid "    " and resid   83 and name   HA) (segid "    " and resid   83 and name  HB*) 2.241 0.628 0.628 weight 1.000 ! spec=CNOE, no=391, id=219, vol=1.562248e+08
assign (segid "    " and resid   83 and name   HA) (segid "    " and resid   84 and name  HD2) 2.105 0.554 0.554 weight 1.000 ! spec=CNOE, no=759, id=402, vol=2.278221e+08
assign (segid "    " and resid   83 and name  HB*) (segid "    " and resid   83 and name   HN) 2.335 0.681 0.681 weight 1.000 ! spec=CNOE, no=669, id=357, vol=1.221967e+08
assign (segid "    " and resid   83 and name  HB*) (segid "    " and resid   84 and name  HD*) 2.901 1.052 1.052 weight 1.000 ! spec=CNOE, no=301, id=184, vol=3.320295e+07
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   84 and name   HA) 3.360 1.411 1.411 weight 1.000 ! spec=NNOE, no=540, id=839, vol=5.744988e+07
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   85 and name  HA2) 3.451 1.489 1.489 weight 1.000 ! spec=NNOE, no=541, id=840, vol=4.889641e+07
assign (segid "    " and resid   86 and name   HN) (segid "    " and resid   86 and name   HA) 3.219 1.295 1.295 weight 1.000 ! spec=NNOE, no=544, id=841, vol=7.422875e+07
assign (segid "    " and resid   86 and name   HN) (segid "    " and resid   86 and name  HB2) 3.278 1.343 1.343 weight 1.000 ! spec=NNOE, no=545, id=842, vol=6.663953e+07
assign (segid "    " and resid   88 and name   HA) (segid "    " and resid   89 and name   HN) 2.274 0.646 0.646 weight 1.000 ! spec=CNOE, no=464, id=259, vol=1.431710e+08
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid   89 and name   HN) 2.986 0.493 0.493 weight 1.000 ! spec=CNOE, no=130, id=96, vol=3.229490e+08
assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid   89 and name   HA) 2.651 0.879 0.879 weight 1.000 ! spec=CNOE, no=133, id=98, vol=5.698595e+07
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid   89 and name   HA) 2.873 0.828 0.828 weight 1.000 ! spec=CNOE, no=132, id=97, vol=6.816474e+07
assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   92 and name   HA) 3.105 1.205 1.205 weight 1.000 ! spec=NNOE, no=549, id=844, vol=9.216509e+07
assign (segid "    " and resid   94 and name   HN) (segid "    " and resid   94 and name  HB2) 2.968 1.101 1.101 weight 1.000 ! spec=NNOE, no=535, id=836, vol=1.207378e+08
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   94 and name   HA) 2.739 0.938 0.938 weight 1.000 ! spec=NNOE, no=551, id=845, vol=1.955922e+08
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   95 and name  HB2) 2.984 1.113 1.113 weight 1.000 ! spec=NNOE, no=552, id=846, vol=1.170059e+08
assign (segid "    " and resid   96 and name   HN) (segid "    " and resid   96 and name   HA) 2.949 1.087 1.087 weight 1.000 ! spec=NNOE, no=556, id=848, vol=1.255869e+08
assign (segid "    " and resid   96 and name   HN) (segid "    " and resid   96 and name  HB*) 3.504 1.535 1.535 weight 1.000 ! spec=NNOE, no=553, id=847, vol=4.462956e+07
assign (segid "    " and resid   98 and name   HB) (segid "    " and resid   98 and name HG2*) 2.322 0.674 0.674 weight 1.000 ! spec=CNOE, no=638, id=342, vol=1.263525e+08
assign (segid "    " and resid   98 and name   HN) (segid "    " and resid   97 and name   HA) 2.871 1.030 1.030 weight 1.000 ! spec=NNOE, no=557, id=849, vol=1.474549e+08
assign (segid "    " and resid   98 and name   HN) (segid "    " and resid   97 and name  HB2) 3.131 1.226 1.226 weight 1.000 ! spec=NNOE, no=558, id=850, vol=8.760485e+07


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