NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
585615 |
2mtf   |
25159 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
!Distance restraints
assign (resid 113 and name HN) (resid 113 and name HA) 2.614 0.854 0.854 !weight 1.000 ! spec=Expt_19, no=1, id=0, vol=1.270496e+07
assign (resid 112 and name HN) (resid 112 and name HA) 2.764 0.955 0.955 !weight 1.000 ! spec=Expt_19, no=3, id=1, vol=9.098605e+06
assign (resid 112 and name HN) (resid 112 and name HB1) 2.654 0.881 0.881 !weight 1.000 ! spec=Expt_19, no=4, id=2, vol=1.160290e+07
assign (resid 112 and name HN) (resid 112 and name HB2) 2.652 0.879 0.879 !weight 1.000 ! spec=Expt_19, no=5, id=3, vol=1.166009e+07
assign (resid 111 and name HN) (resid 111 and name HA) 2.557 0.817 0.817 !weight 1.000 ! spec=Expt_19, no=6, id=4, vol=1.452501e+07
assign (resid 111 and name HN) (resid 111 and name HB1) 2.594 0.841 0.841 !weight 1.000 ! spec=Expt_19, no=8, id=5, vol=1.330614e+07
assign (resid 111 and name HN) (resid 111 and name HG2) 2.596 0.842 0.842 !weight 1.000 ! spec=Expt_19, no=9, id=6, vol=1.326209e+07
assign (resid 111 and name HN) (resid 111 and name HE2) 3.086 1.190 1.190 !weight 1.000 ! spec=Expt_19, no=10, id=7, vol=4.698027e+06
assign (resid 110 and name HN) (resid 110 and name HB1) 2.458 0.755 0.755 !weight 1.000 ! spec=Expt_19, no=12, id=8, vol=1.838232e+07
assign (resid 110 and name HN) (resid 110 and name HG2) 2.755 0.949 0.949 !weight 1.000 ! spec=Expt_19, no=14, id=9, vol=9.273638e+06
assign (resid 110 and name HN) (resid 110 and name HG1) 2.853 1.017 1.017 !weight 1.000 ! spec=Expt_19, no=15, id=10, vol=7.524863e+06
assign (resid 114 and name HN) (resid 114 and name HA) 2.876 1.034 1.034 !weight 1.000 ! spec=Expt_19, no=16, id=11, vol=7.167957e+06
assign (resid 114 and name HN) (resid 114 and name HB1) 2.709 0.917 0.917 !weight 1.000 ! spec=Expt_19, no=17, id=12, vol=1.026381e+07
assign (resid 114 and name HN) (resid 114 and name HB2) 2.715 0.921 0.921 !weight 1.000 ! spec=Expt_19, no=18, id=13, vol=1.012742e+07
assign (resid 107 and name HN) (resid 107 and name HA) 2.565 0.822 0.822 !weight 1.000 ! spec=Expt_19, no=19, id=14, vol=1.425344e+07
assign (resid 107 and name HN) (resid 107 and name HB2) 2.489 0.774 0.774 !weight 1.000 ! spec=Expt_19, no=20, id=15, vol=1.706652e+07
assign (resid 107 and name HN) (resid 107 and name HG2) 2.737 0.936 0.936 !weight 1.000 ! spec=Expt_19, no=22, id=16, vol=9.650037e+06
assign (resid 151 and name HN) (resid 151 and name HB3) 2.451 0.751 0.751 !weight 1.000 ! spec=Expt_19, no=23, id=17, vol=1.871754e+07
or (resid 151 and name HN) (resid 151 and name HB2)
or (resid 151 and name HN) (resid 151 and name HB1)
assign (resid 151 and name HN) (resid 151 and name HA) 2.863 1.025 1.025 !weight 1.000 ! spec=Expt_19, no=24, id=18, vol=7.364958e+06
assign (resid 152 and name HN) (resid 152 and name HB1) 2.559 0.819 0.819 !weight 1.000 ! spec=Expt_19, no=25, id=19, vol=1.443327e+07
assign (resid 149 and name HN) (resid 149 and name HA) 2.809 0.986 0.986 !weight 1.000 ! spec=Expt_19, no=27, id=20, vol=8.253806e+06
assign (resid 152 and name HN) (resid 152 and name HD12) 2.834 1.004 1.004 !weight 1.000 ! spec=Expt_19, no=28, id=21, vol=7.821728e+06
or (resid 152 and name HN) (resid 152 and name HD11)
or (resid 152 and name HN) (resid 152 and name HD13)
assign (resid 152 and name HN) (resid 152 and name HD21) 2.523 0.796 0.796 !weight 1.000 ! spec=Expt_19, no=29, id=22, vol=1.570520e+07
or (resid 152 and name HN) (resid 152 and name HD23)
or (resid 152 and name HN) (resid 152 and name HD22)
assign (resid 152 and name HN) (resid 152 and name HA) 2.671 0.892 0.892 !weight 1.000 ! spec=Expt_19, no=30, id=23, vol=1.116849e+07
assign (resid 154 and name HN) (resid 154 and name HB2) 2.881 1.038 1.038 !weight 1.000 ! spec=Expt_19, no=31, id=24, vol=7.087716e+06
assign (resid 154 and name HN) (resid 154 and name HB1) 2.797 0.978 0.978 !weight 1.000 ! spec=Expt_19, no=32, id=25, vol=8.477863e+06
assign (resid 154 and name HN) (resid 154 and name HD1) 2.539 0.806 0.806 !weight 1.000 ! spec=Expt_19, no=34, id=26, vol=1.514228e+07
or (resid 154 and name HN) (resid 154 and name HD2)
assign (resid 155 and name HN) (resid 155 and name HB2) 2.292 0.657 0.657 !weight 1.000 ! spec=Expt_19, no=36, id=27, vol=2.796378e+07
assign (resid 156 and name HN) (resid 156 and name HB) 2.895 1.047 1.047 !weight 1.000 ! spec=Expt_19, no=38, id=28, vol=6.895219e+06
assign (resid 156 and name HN) (resid 156 and name HG13) 2.281 0.650 0.650 !weight 1.000 ! spec=Expt_19, no=39, id=29, vol=2.879435e+07
or (resid 156 and name HN) (resid 156 and name HG11)
or (resid 156 and name HN) (resid 156 and name HG12)
assign (resid 156 and name HN) (resid 156 and name HA) 2.360 0.696 0.696 !weight 1.000 ! spec=Expt_19, no=40, id=30, vol=2.347536e+07
assign (resid 155 and name HN) (resid 155 and name HA) 3.073 1.180 1.180 !weight 1.000 ! spec=Expt_19, no=41, id=31, vol=4.819140e+06
assign (resid 157 and name HN) (resid 157 and name HG21) 2.410 0.726 0.726 !weight 1.000 ! spec=Expt_19, no=44, id=32, vol=2.069210e+07
or (resid 157 and name HN) (resid 157 and name HG22)
or (resid 157 and name HN) (resid 157 and name HG23)
assign (resid 158 and name HN) (resid 158 and name HA) 3.121 1.218 1.218 !weight 1.000 ! spec=Expt_19, no=46, id=33, vol=4.385116e+06
assign (resid 158 and name HN) (resid 158 and name HB1) 2.972 1.104 1.104 !weight 1.000 ! spec=Expt_19, no=47, id=34, vol=5.885577e+06
assign (resid 158 and name HN) (resid 158 and name HB2) 2.912 1.060 1.060 !weight 1.000 ! spec=Expt_19, no=48, id=35, vol=6.650693e+06
assign (resid 158 and name HN) (resid 158 and name HD21) 3.130 1.224 1.224 !weight 1.000 ! spec=Expt_19, no=49, id=36, vol=4.316153e+06
or (resid 158 and name HN) (resid 158 and name HD23)
or (resid 158 and name HN) (resid 158 and name HD22)
assign (resid 158 and name HN) (resid 158 and name HD11) 3.134 1.228 1.228 !weight 1.000 ! spec=Expt_19, no=50, id=37, vol=4.281751e+06
or (resid 158 and name HN) (resid 158 and name HD12)
or (resid 158 and name HN) (resid 158 and name HD13)
assign (resid 158 and name HN) (resid 158 and name HG) 3.002 1.126 1.126 !weight 1.000 ! spec=Expt_19, no=51, id=38, vol=5.542169e+06
assign (resid 159 and name HN) (resid 159 and name HA) 3.072 1.179 1.179 !weight 1.000 ! spec=Expt_19, no=52, id=39, vol=4.828870e+06
assign (resid 159 and name HN) (resid 159 and name HB2) 2.789 0.973 0.973 !weight 1.000 ! spec=Expt_19, no=53, id=40, vol=8.609032e+06
assign (resid 159 and name HN) (resid 159 and name HG1) 2.967 1.101 1.101 !weight 1.000 ! spec=Expt_19, no=54, id=41, vol=5.940781e+06
assign (resid 160 and name HN) (resid 160 and name HD21) 2.839 1.008 1.008 !weight 1.000 ! spec=Expt_19, no=56, id=42, vol=7.740131e+06
or (resid 160 and name HN) (resid 160 and name HD22)
or (resid 160 and name HN) (resid 160 and name HD23)
assign (resid 160 and name HN) (resid 160 and name HG) 2.757 0.950 0.950 !weight 1.000 ! spec=Expt_19, no=57, id=43, vol=9.235774e+06
assign (resid 160 and name HN) (resid 160 and name HB1) 2.593 0.841 0.841 !weight 1.000 ! spec=Expt_19, no=58, id=44, vol=1.333836e+07
assign (resid 160 and name HN) (resid 160 and name HB2) 2.834 1.004 1.004 !weight 1.000 ! spec=Expt_19, no=59, id=45, vol=7.830163e+06
assign (resid 160 and name HN) (resid 160 and name HA) 3.141 1.233 1.233 !weight 1.000 ! spec=Expt_19, no=60, id=46, vol=4.222080e+06
assign (resid 161 and name HN) (resid 161 and name HA) 3.016 1.137 1.137 !weight 1.000 ! spec=Expt_19, no=61, id=47, vol=5.388307e+06
assign (resid 161 and name HN) (resid 161 and name HB1) 3.115 1.213 1.213 !weight 1.000 ! spec=Expt_19, no=62, id=48, vol=4.435942e+06
assign (resid 161 and name HN) (resid 161 and name HB2) 2.972 1.104 1.104 !weight 1.000 ! spec=Expt_19, no=63, id=49, vol=5.882842e+06
assign (resid 162 and name HN) (resid 162 and name HA) 2.870 1.030 1.030 !weight 1.000 ! spec=Expt_19, no=64, id=50, vol=7.259152e+06
assign (resid 162 and name HN) (resid 162 and name HG2) 3.030 1.148 1.148 !weight 1.000 ! spec=Expt_19, no=65, id=51, vol=5.236892e+06
assign (resid 162 and name HN) (resid 162 and name HB2) 2.664 0.887 0.887 !weight 1.000 ! spec=Expt_19, no=66, id=52, vol=1.133656e+07
assign (resid 163 and name HN) (resid 163 and name HB1) 2.862 1.024 1.024 !weight 1.000 ! spec=Expt_19, no=67, id=53, vol=7.381851e+06
assign (resid 163 and name HN) (resid 163 and name HB2) 2.869 1.029 1.029 !weight 1.000 ! spec=Expt_19, no=68, id=54, vol=7.277884e+06
assign (resid 163 and name HN) (resid 163 and name HA) 2.639 0.871 0.871 !weight 1.000 ! spec=Expt_19, no=69, id=55, vol=1.199392e+07
assign (resid 164 and name HN) (resid 164 and name HB1) 3.251 1.321 1.321 !weight 1.000 ! spec=Expt_19, no=71, id=56, vol=3.435303e+06
assign (resid 164 and name HN) (resid 164 and name HB2) 3.323 1.381 1.381 !weight 1.000 ! spec=Expt_19, no=72, id=57, vol=3.009437e+06
assign (resid 165 and name HN) (resid 165 and name HA) 2.953 1.090 1.090 !weight 1.000 ! spec=Expt_19, no=73, id=58, vol=6.120192e+06
assign (resid 165 and name HN) (resid 165 and name HB1) 2.768 0.958 0.958 !weight 1.000 ! spec=Expt_19, no=74, id=59, vol=9.021548e+06
assign (resid 165 and name HN) (resid 165 and name HB2) 2.675 0.894 0.894 !weight 1.000 ! spec=Expt_19, no=75, id=60, vol=1.107816e+07
assign (resid 165 and name HN) (resid 165 and name HD1) 3.078 1.184 1.184 !weight 1.000 ! spec=Expt_19, no=76, id=61, vol=4.773535e+06
assign (resid 165 and name HN) (resid 165 and name HG2) 2.866 1.027 1.027 !weight 1.000 ! spec=Expt_19, no=77, id=62, vol=7.314834e+06
assign (resid 166 and name HN) (resid 166 and name HA) 2.978 1.109 1.109 !weight 1.000 ! spec=Expt_19, no=78, id=63, vol=5.813754e+06
assign (resid 167 and name HN) (resid 167 and name HA) 3.325 1.382 1.382 !weight 1.000 ! spec=Expt_19, no=79, id=64, vol=2.999127e+06
assign (resid 167 and name HN) (resid 167 and name HB) 3.077 1.184 1.184 !weight 1.000 ! spec=Expt_19, no=80, id=65, vol=4.777958e+06
assign (resid 167 and name HN) (resid 167 and name HG12) 2.502 0.782 0.782 !weight 1.000 ! spec=Expt_19, no=81, id=66, vol=1.654768e+07
or (resid 167 and name HN) (resid 167 and name HG13)
or (resid 167 and name HN) (resid 167 and name HG11)
assign (resid 89 and name HN) (resid 89 and name HA) 2.195 0.602 0.602 !weight 1.000 ! spec=Expt_19, no=82, id=67, vol=3.624229e+07
assign (resid 89 and name HN) (resid 89 and name HB2) 2.620 0.858 0.858 !weight 1.000 ! spec=Expt_19, no=84, id=69, vol=1.255076e+07
assign (resid 90 and name HN) (resid 90 and name HA) 2.706 0.915 0.915 !weight 1.000 ! spec=Expt_19, no=85, id=70, vol=1.032394e+07
assign (resid 90 and name HN) (resid 90 and name HB2) 2.583 0.834 0.834 !weight 1.000 ! spec=Expt_19, no=86, id=71, vol=1.365026e+07
assign (resid 91 and name HN) (resid 91 and name HB1) 3.323 0.875 0.875 !weight 1.000 ! spec=Expt_19, no=88, id=72, vol=2.580728e+07
assign (resid 91 and name HN) (resid 91 and name HB2) 2.201 0.606 0.606 !weight 1.000 ! spec=Expt_19, no=89, id=73, vol=3.563011e+07
assign (resid 92 and name HN) (resid 92 and name HA) 2.739 0.938 0.938 !weight 1.000 ! spec=Expt_19, no=91, id=74, vol=9.609483e+06
assign (resid 92 and name HN) (resid 92 and name HB2) 2.557 0.817 0.817 !weight 1.000 ! spec=Expt_19, no=92, id=75, vol=1.450610e+07
assign (resid 92 and name HN) (resid 92 and name HB1) 2.507 0.785 0.785 !weight 1.000 ! spec=Expt_19, no=93, id=76, vol=1.634614e+07
assign (resid 93 and name HN) (resid 93 and name HB) 2.530 0.800 0.800 !weight 1.000 ! spec=Expt_19, no=96, id=78, vol=1.546312e+07
assign (resid 93 and name HN) (resid 93 and name HD12) 2.637 0.869 0.869 !weight 1.000 ! spec=Expt_19, no=97, id=79, vol=1.207017e+07
or (resid 93 and name HN) (resid 93 and name HD13)
or (resid 93 and name HN) (resid 93 and name HD11)
assign (resid 93 and name HN) (resid 93 and name HG22) 2.778 0.965 0.965 !weight 1.000 ! spec=Expt_19, no=98, id=80, vol=8.817568e+06
or (resid 93 and name HN) (resid 93 and name HG23)
or (resid 93 and name HN) (resid 93 and name HG21)
assign (resid 93 and name HN) (resid 93 and name HA) 3.159 1.247 1.247 !weight 1.000 ! spec=Expt_19, no=99, id=81, vol=4.081403e+06
assign (resid 94 and name HN) (resid 94 and name HB2) 2.322 0.674 0.674 !weight 1.000 ! spec=Expt_19, no=101, id=82, vol=2.588090e+07
assign (resid 95 and name HN) (resid 95 and name HA) 2.635 0.868 0.868 !weight 1.000 ! spec=Expt_19, no=102, id=83, vol=1.212992e+07
assign (resid 95 and name HN) (resid 95 and name HB2) 2.412 0.727 0.727 !weight 1.000 ! spec=Expt_19, no=103, id=84, vol=2.059787e+07
assign (resid 96 and name HN) (resid 96 and name HB2) 2.771 0.960 0.960 !weight 1.000 ! spec=Expt_19, no=104, id=85, vol=8.957985e+06
assign (resid 96 and name HN) (resid 96 and name HB1) 2.708 0.917 0.917 !weight 1.000 ! spec=Expt_19, no=105, id=86, vol=1.028310e+07
assign (resid 96 and name HN) (resid 96 and name HA) 2.831 1.002 1.002 !weight 1.000 ! spec=Expt_19, no=106, id=87, vol=7.876364e+06
assign (resid 96 and name HN) (resid 96 and name HD13) 2.791 0.973 0.973 !weight 1.000 ! spec=Expt_19, no=107, id=88, vol=8.585956e+06
or (resid 96 and name HN) (resid 96 and name HD11)
or (resid 96 and name HN) (resid 96 and name HD12)
assign (resid 96 and name HN) (resid 96 and name HG) 2.597 0.843 0.843 !weight 1.000 ! spec=Expt_19, no=108, id=89, vol=1.322332e+07
assign (resid 97 and name HN) (resid 97 and name HA) 2.885 1.040 1.040 !weight 1.000 ! spec=Expt_19, no=109, id=90, vol=7.039094e+06
assign (resid 97 and name HN) (resid 97 and name HB) 2.460 0.756 0.756 !weight 1.000 ! spec=Expt_19, no=110, id=91, vol=1.831406e+07
assign (resid 97 and name HN) (resid 97 and name HG11) 2.323 0.675 0.675 !weight 1.000 ! spec=Expt_19, no=111, id=92, vol=2.577667e+07
or (resid 97 and name HN) (resid 97 and name HG12)
or (resid 97 and name HN) (resid 97 and name HG13)
assign (resid 98 and name HN) (resid 98 and name HA) 2.571 0.826 0.826 !weight 1.000 ! spec=Expt_19, no=112, id=93, vol=1.405830e+07
assign (resid 98 and name HN) (resid 98 and name HB1) 2.565 0.822 0.822 !weight 1.000 ! spec=Expt_19, no=113, id=94, vol=1.423900e+07
assign (resid 98 and name HN) (resid 98 and name HB2) 2.623 0.860 0.860 !weight 1.000 ! spec=Expt_19, no=114, id=95, vol=1.244950e+07
assign (resid 99 and name HN) (resid 99 and name HA) 2.627 0.862 0.862 !weight 1.000 ! spec=Expt_19, no=115, id=96, vol=1.235094e+07
assign (resid 99 and name HN) (resid 99 and name HB1) 2.613 0.853 0.853 !weight 1.000 ! spec=Expt_19, no=116, id=97, vol=1.275469e+07
assign (resid 99 and name HN) (resid 99 and name HB2) 2.524 0.796 0.796 !weight 1.000 ! spec=Expt_19, no=117, id=98, vol=1.570005e+07
assign (resid 100 and name HN) (resid 100 and name HA) 2.883 1.039 1.039 !weight 1.000 ! spec=Expt_19, no=118, id=99, vol=7.058584e+06
assign (resid 100 and name HN) (resid 100 and name HB) 2.503 0.783 0.783 !weight 1.000 ! spec=Expt_19, no=119, id=100, vol=1.650344e+07
assign (resid 100 and name HN) (resid 100 and name HD13) 2.679 0.897 0.897 !weight 1.000 ! spec=Expt_19, no=120, id=101, vol=1.096130e+07
or (resid 100 and name HN) (resid 100 and name HD11)
or (resid 100 and name HN) (resid 100 and name HD12)
assign (resid 100 and name HN) (resid 100 and name HG11) 2.876 1.034 1.034 !weight 1.000 ! spec=Expt_19, no=122, id=103, vol=7.163244e+06
assign (resid 100 and name HN) (resid 100 and name HG12) 2.697 0.910 0.910 !weight 1.000 ! spec=Expt_19, no=123, id=104, vol=1.052683e+07
assign (resid 101 and name HN) (resid 101 and name HA) 2.865 1.026 1.026 !weight 1.000 ! spec=Expt_19, no=124, id=105, vol=7.328224e+06
assign (resid 102 and name HN) (resid 102 and name HA) 2.674 0.894 0.894 !weight 1.000 ! spec=Expt_19, no=125, id=106, vol=1.109361e+07
assign (resid 102 and name HN) (resid 102 and name HB2) 2.636 0.869 0.869 !weight 1.000 ! spec=Expt_19, no=126, id=107, vol=1.207890e+07
assign (resid 102 and name HN) (resid 102 and name HB1) 2.631 0.865 0.865 !weight 1.000 ! spec=Expt_19, no=127, id=108, vol=1.222898e+07
assign (resid 102 and name HN) (resid 102 and name HD2) 3.453 1.490 1.490 !weight 1.000 ! spec=Expt_19, no=128, id=109, vol=2.393975e+06
or (resid 102 and name HN) (resid 102 and name HD1)
assign (resid 104 and name HN) (resid 104 and name HB1) 2.788 0.971 0.971 !weight 1.000 ! spec=Expt_19, no=130, id=110, vol=8.643330e+06
assign (resid 104 and name HN) (resid 104 and name HB2) 2.797 0.978 0.978 !weight 1.000 ! spec=Expt_19, no=131, id=111, vol=8.471698e+06
assign (resid 131 and name HN) (resid 131 and name HG) 2.884 1.040 1.040 !weight 1.000 ! spec=Expt_19, no=132, id=112, vol=7.049868e+06
assign (resid 131 and name HN) (resid 131 and name HD13) 3.032 1.149 1.149 !weight 1.000 ! spec=Expt_19, no=133, id=113, vol=5.218230e+06
or (resid 131 and name HN) (resid 131 and name HD11)
or (resid 131 and name HN) (resid 131 and name HD12)
assign (resid 131 and name HN) (resid 131 and name HD21) 3.171 1.257 1.257 !weight 1.000 ! spec=Expt_19, no=134, id=114, vol=3.992519e+06
or (resid 131 and name HN) (resid 131 and name HD23)
or (resid 131 and name HN) (resid 131 and name HD22)
assign (resid 131 and name HN) (resid 131 and name HB2) 2.862 1.024 1.024 !weight 1.000 ! spec=Expt_19, no=135, id=115, vol=7.374065e+06
assign (resid 131 and name HN) (resid 131 and name HB1) 2.885 1.041 1.041 !weight 1.000 ! spec=Expt_19, no=136, id=116, vol=7.030075e+06
assign (resid 131 and name HN) (resid 131 and name HA) 2.921 1.066 1.066 !weight 1.000 ! spec=Expt_19, no=137, id=117, vol=6.531949e+06
assign (resid 132 and name HN) (resid 132 and name HA) 3.026 1.145 1.145 !weight 1.000 ! spec=Expt_19, no=138, id=118, vol=5.281460e+06
assign (resid 132 and name HN) (resid 132 and name HB2) 2.756 0.949 0.949 !weight 1.000 ! spec=Expt_19, no=139, id=119, vol=9.261908e+06
assign (resid 132 and name HN) (resid 132 and name HB1) 2.744 0.941 0.941 !weight 1.000 ! spec=Expt_19, no=140, id=120, vol=9.500382e+06
assign (resid 132 and name HN) (resid 132 and name HD12) 2.900 1.051 1.051 !weight 1.000 ! spec=Expt_19, no=141, id=121, vol=6.815238e+06
or (resid 132 and name HN) (resid 132 and name HD11)
or (resid 132 and name HN) (resid 132 and name HD13)
assign (resid 132 and name HN) (resid 132 and name HD21) 2.732 0.933 0.933 !weight 1.000 ! spec=Expt_19, no=142, id=122, vol=9.754242e+06
or (resid 132 and name HN) (resid 132 and name HD23)
or (resid 132 and name HN) (resid 132 and name HD22)
assign (resid 132 and name HN) (resid 132 and name HG) 2.977 1.108 1.108 !weight 1.000 ! spec=Expt_19, no=143, id=123, vol=5.826845e+06
assign (resid 165 and name HN) (resid 165 and name HD2) 3.078 1.184 1.184 !weight 1.000 ! spec=Expt_19, no=180, id=124, vol=4.773535e+06
assign (resid 133 and name HN) (resid 133 and name HA) 2.708 0.917 0.917 !weight 1.000 ! spec=Expt_19, no=247, id=125, vol=1.027805e+07
assign (resid 134 and name HN) (resid 134 and name HB2) 2.605 0.848 0.848 !weight 1.000 ! spec=Expt_19, no=250, id=127, vol=1.298703e+07
assign (resid 134 and name HN) (resid 134 and name HA) 2.802 0.981 0.981 !weight 1.000 ! spec=Expt_19, no=251, id=128, vol=8.381480e+06
assign (resid 135 and name HN) (resid 135 and name HB1) 2.513 0.789 0.789 !weight 1.000 ! spec=Expt_19, no=253, id=129, vol=1.611252e+07
assign (resid 135 and name HN) (resid 135 and name HA) 2.936 1.078 1.078 !weight 1.000 ! spec=Expt_19, no=254, id=130, vol=6.325535e+06
assign (resid 137 and name HN) (resid 137 and name HB1) 2.822 0.996 0.996 !weight 1.000 ! spec=Expt_19, no=258, id=132, vol=8.028793e+06
assign (resid 138 and name HN) (resid 138 and name HB) 2.923 1.068 1.068 !weight 1.000 ! spec=Expt_19, no=259, id=133, vol=6.507441e+06
assign (resid 138 and name HN) (resid 138 and name HA) 3.026 1.145 1.145 !weight 1.000 ! spec=Expt_19, no=260, id=134, vol=5.278664e+06
assign (resid 138 and name HN) (resid 138 and name HG23) 2.801 0.981 0.981 !weight 1.000 ! spec=Expt_19, no=261, id=135, vol=8.390115e+06
or (resid 138 and name HN) (resid 138 and name HG22)
or (resid 138 and name HN) (resid 138 and name HG21)
assign (resid 138 and name HN) (resid 138 and name HG12) 3.046 1.160 1.160 !weight 1.000 ! spec=Expt_19, no=262, id=136, vol=5.075826e+06
or (resid 138 and name HN) (resid 138 and name HG11)
or (resid 138 and name HN) (resid 138 and name HG13)
assign (resid 139 and name HN) (resid 139 and name HA) 3.062 1.172 1.172 !weight 1.000 ! spec=Expt_19, no=263, id=137, vol=4.915939e+06
assign (resid 139 and name HN) (resid 139 and name HB1) 2.809 0.987 0.987 !weight 1.000 ! spec=Expt_19, no=264, id=138, vol=8.248798e+06
assign (resid 139 and name HN) (resid 139 and name HB2) 2.769 0.959 0.959 !weight 1.000 ! spec=Expt_19, no=265, id=139, vol=8.994118e+06
assign (resid 140 and name HN) (resid 140 and name HA) 2.779 0.965 0.965 !weight 1.000 ! spec=Expt_19, no=266, id=140, vol=8.812571e+06
assign (resid 140 and name HN) (resid 140 and name HB1) 2.527 0.798 0.798 !weight 1.000 ! spec=Expt_19, no=267, id=141, vol=1.559078e+07
assign (resid 141 and name HN) (resid 141 and name HB1) 2.890 1.044 1.044 !weight 1.000 ! spec=Expt_19, no=268, id=142, vol=6.962357e+06
assign (resid 141 and name HN) (resid 141 and name HB2) 2.918 1.064 1.064 !weight 1.000 ! spec=Expt_19, no=269, id=143, vol=6.567113e+06
assign (resid 141 and name HN) (resid 141 and name HA) 2.898 1.050 1.050 !weight 1.000 ! spec=Expt_19, no=270, id=144, vol=6.840802e+06
assign (resid 141 and name HN) (resid 141 and name HD11) 2.997 1.123 1.123 !weight 1.000 ! spec=Expt_19, no=271, id=145, vol=5.597700e+06
or (resid 141 and name HN) (resid 141 and name HD13)
or (resid 141 and name HN) (resid 141 and name HD12)
assign (resid 141 and name HN) (resid 141 and name HD21) 2.679 0.897 0.897 !weight 1.000 ! spec=Expt_19, no=272, id=146, vol=1.095852e+07
or (resid 141 and name HN) (resid 141 and name HD23)
or (resid 141 and name HN) (resid 141 and name HD22)
assign (resid 178 and name HN) (resid 178 and name HA) 2.653 0.880 0.880 !weight 1.000 ! spec=Expt_19, no=273, id=147, vol=1.163308e+07
assign (resid 178 and name HN) (resid 178 and name HB2) 2.639 0.871 0.871 !weight 1.000 ! spec=Expt_19, no=274, id=148, vol=1.200438e+07
assign (resid 179 and name HN) (resid 179 and name HA) 2.553 0.815 0.815 !weight 1.000 ! spec=Expt_19, no=275, id=149, vol=1.463866e+07
assign (resid 179 and name HN) (resid 179 and name HB1) 2.299 0.661 0.661 !weight 1.000 ! spec=Expt_19, no=276, id=150, vol=2.748894e+07
assign (resid 179 and name HN) (resid 179 and name HB2) 2.417 0.730 0.730 !weight 1.000 ! spec=Expt_19, no=277, id=151, vol=2.032993e+07
assign (resid 180 and name HN) (resid 180 and name HA) 2.722 0.926 0.926 !weight 1.000 ! spec=Expt_19, no=278, id=152, vol=9.980215e+06
assign (resid 180 and name HN) (resid 180 and name HB2) 2.844 1.011 1.011 !weight 1.000 ! spec=Expt_19, no=280, id=153, vol=7.668540e+06
assign (resid 181 and name HN) (resid 181 and name HA) 2.599 0.844 0.844 !weight 1.000 ! spec=Expt_19, no=281, id=154, vol=1.316557e+07
assign (resid 181 and name HN) (resid 181 and name HB1) 2.296 0.659 0.659 !weight 1.000 ! spec=Expt_19, no=282, id=155, vol=2.770569e+07
assign (resid 181 and name HN) (resid 181 and name HB2) 2.659 0.884 0.884 !weight 1.000 ! spec=Expt_19, no=283, id=156, vol=1.146888e+07
assign (resid 183 and name HN) (resid 183 and name HA) 2.047 0.524 0.524 !weight 1.000 ! spec=Expt_19, no=284, id=157, vol=5.505797e+07
assign (resid 183 and name HN) (resid 183 and name HB1) 2.666 0.889 0.889 !weight 1.000 ! spec=Expt_19, no=285, id=158, vol=1.128910e+07
assign (resid 183 and name HN) (resid 183 and name HB2) 2.644 0.874 0.874 !weight 1.000 ! spec=Expt_19, no=286, id=159, vol=1.186573e+07
assign (resid 175 and name HN) (resid 175 and name HA) 2.725 0.928 0.928 !weight 1.000 ! spec=Expt_19, no=287, id=160, vol=9.906170e+06
assign (resid 175 and name HN) (resid 175 and name HB1) 3.278 0.649 0.649 !weight 1.000 ! spec=Expt_19, no=288, id=161, vol=2.901921e+07
assign (resid 175 and name HN) (resid 175 and name HB2) 2.390 0.714 0.714 !weight 1.000 ! spec=Expt_19, no=289, id=162, vol=2.176768e+07
assign (resid 175 and name HN) (resid 175 and name HD11) 2.902 1.053 1.053 !weight 1.000 ! spec=Expt_19, no=290, id=163, vol=6.793236e+06
or (resid 175 and name HN) (resid 175 and name HD12)
or (resid 175 and name HN) (resid 175 and name HD13)
assign (resid 176 and name HN) (resid 176 and name HA) 2.959 1.095 1.095 !weight 1.000 ! spec=Expt_19, no=293, id=164, vol=6.036505e+06
assign (resid 176 and name HN) (resid 176 and name HB1) 3.048 1.161 1.161 !weight 1.000 ! spec=Expt_19, no=294, id=165, vol=5.056867e+06
assign (resid 176 and name HN) (resid 176 and name HB2) 2.949 1.087 1.087 !weight 1.000 ! spec=Expt_19, no=295, id=166, vol=6.166660e+06
assign (resid 176 and name HN) (resid 176 and name HD2) 2.946 1.085 1.085 !weight 1.000 ! spec=Expt_19, no=296, id=167, vol=6.202643e+06
or (resid 176 and name HN) (resid 176 and name HD1)
assign (resid 176 and name HN) (resid 176 and name HE2) 3.602 1.622 1.622 !weight 1.000 ! spec=Expt_19, no=297, id=168, vol=1.857848e+06
or (resid 176 and name HN) (resid 176 and name HE1)
assign (resid 173 and name HN) (resid 173 and name HB) 2.535 0.804 0.804 !weight 1.000 ! spec=Expt_19, no=298, id=169, vol=1.526431e+07
assign (resid 171 and name HN) (resid 171 and name HB) 2.709 0.917 0.917 !weight 1.000 ! spec=Expt_19, no=300, id=170, vol=1.027231e+07
assign (resid 171 and name HN) (resid 171 and name HG22) 3.003 1.127 1.127 !weight 1.000 ! spec=Expt_19, no=301, id=171, vol=5.535269e+06
or (resid 171 and name HN) (resid 171 and name HG21)
or (resid 171 and name HN) (resid 171 and name HG23)
assign (resid 170 and name HN) (resid 170 and name HA) 2.791 0.974 0.974 !weight 1.000 ! spec=Expt_19, no=302, id=172, vol=8.572621e+06
assign (resid 170 and name HN) (resid 170 and name HB) 2.753 0.947 0.947 !weight 1.000 ! spec=Expt_19, no=303, id=173, vol=9.315770e+06
assign (resid 170 and name HN) (resid 170 and name HG23) 2.542 0.807 0.807 !weight 1.000 ! spec=Expt_19, no=304, id=174, vol=1.504882e+07
or (resid 170 and name HN) (resid 170 and name HG21)
or (resid 170 and name HN) (resid 170 and name HG22)
assign (resid 169 and name HN) (resid 169 and name HB1) 2.773 0.961 0.961 !weight 1.000 ! spec=Expt_19, no=305, id=175, vol=8.913164e+06
assign (resid 169 and name HN) (resid 169 and name HB2) 2.908 1.057 1.057 !weight 1.000 ! spec=Expt_19, no=306, id=176, vol=6.709039e+06
assign (resid 169 and name HN) (resid 169 and name HA) 2.830 1.001 1.001 !weight 1.000 ! spec=Expt_19, no=307, id=177, vol=7.888438e+06
assign (resid 168 and name HN) (resid 168 and name HB2) 3.011 1.133 1.133 !weight 1.000 ! spec=Expt_19, no=308, id=178, vol=5.442288e+06
assign (resid 168 and name HN) (resid 168 and name HA) 3.266 1.333 1.333 !weight 1.000 ! spec=Expt_19, no=309, id=179, vol=3.341447e+06
assign (resid 142 and name HN) (resid 142 and name HA) 2.890 1.044 1.044 !weight 1.000 ! spec=Expt_19, no=310, id=180, vol=6.961306e+06
assign (resid 142 and name HN) (resid 142 and name HB) 3.201 1.281 1.281 !weight 1.000 ! spec=Expt_19, no=311, id=181, vol=3.770823e+06
assign (resid 143 and name HN) (resid 143 and name HB2) 2.929 1.073 1.073 !weight 1.000 ! spec=Expt_19, no=313, id=183, vol=6.417495e+06
assign (resid 143 and name HN) (resid 143 and name HB1) 2.606 0.849 0.849 !weight 1.000 ! spec=Expt_19, no=314, id=184, vol=1.294743e+07
assign (resid 143 and name HN) (resid 143 and name HA) 3.129 1.224 1.224 !weight 1.000 ! spec=Expt_19, no=315, id=185, vol=4.321783e+06
assign (resid 143 and name HN) (resid 143 and name HD1) 3.340 1.395 1.395 !weight 1.000 ! spec=Expt_19, no=316, id=186, vol=2.918825e+06
assign (resid 144 and name HN) (resid 144 and name HA) 2.850 1.015 1.015 !weight 1.000 ! spec=Expt_19, no=317, id=187, vol=7.570439e+06
assign (resid 144 and name HN) (resid 144 and name HB2) 2.855 1.019 1.019 !weight 1.000 ! spec=Expt_19, no=318, id=188, vol=7.490781e+06
assign (resid 145 and name HN) (resid 145 and name HB1) 2.941 1.081 1.081 !weight 1.000 ! spec=Expt_19, no=319, id=189, vol=6.265950e+06
assign (resid 145 and name HN) (resid 145 and name HB2) 2.901 1.052 1.052 !weight 1.000 ! spec=Expt_19, no=320, id=190, vol=6.804622e+06
assign (resid 145 and name HN) (resid 145 and name HA) 3.140 1.233 1.233 !weight 1.000 ! spec=Expt_19, no=321, id=191, vol=4.229215e+06
assign (resid 145 and name HN) (resid 145 and name HD1) 2.817 0.992 0.992 !weight 1.000 ! spec=Expt_19, no=322, id=192, vol=8.116064e+06
assign (resid 145 and name HE1) (resid 145 and name HD1) 2.403 0.722 0.722 !weight 1.000 ! spec=Expt_19, no=323, id=193, vol=2.103770e+07
assign (resid 145 and name HE1) (resid 145 and name HZ2) 2.696 0.909 0.909 !weight 1.000 ! spec=Expt_19, no=324, id=194, vol=1.056252e+07
assign (resid 146 and name HN) (resid 146 and name HA) 2.974 1.106 1.106 !weight 1.000 ! spec=Expt_19, no=325, id=195, vol=5.855744e+06
assign (resid 146 and name HN) (resid 146 and name HB2) 3.157 1.246 1.246 !weight 1.000 ! spec=Expt_19, no=326, id=196, vol=4.095193e+06
assign (resid 146 and name HN) (resid 146 and name HB1) 2.975 1.106 1.106 !weight 1.000 ! spec=Expt_19, no=327, id=197, vol=5.852590e+06
assign (resid 146 and name HN) (resid 146 and name HD1) 3.184 1.267 1.267 !weight 1.000 ! spec=Expt_19, no=328, id=198, vol=3.895154e+06
assign (resid 146 and name HN) (resid 146 and name HD2) 3.214 1.291 1.291 !weight 1.000 ! spec=Expt_19, no=329, id=199, vol=3.677121e+06
assign (resid 146 and name HN) (resid 146 and name HG1) 2.836 1.006 1.006 !weight 1.000 ! spec=Expt_19, no=330, id=200, vol=7.791800e+06
assign (resid 146 and name HN) (resid 146 and name HG2) 2.955 1.091 1.091 !weight 1.000 ! spec=Expt_19, no=331, id=201, vol=6.094134e+06
assign (resid 74 and name HN) (resid 74 and name HA1) 3.134 1.228 1.228 !weight 1.000 ! spec=Expt_19, no=332, id=202, vol=4.278743e+06
assign (resid 85 and name HN) (resid 85 and name HB1) 2.360 0.696 0.696 !weight 1.000 ! spec=Expt_19, no=334, id=203, vol=2.347406e+07
assign (resid 85 and name HE1) (resid 85 and name HD1) 2.403 0.722 0.722 !weight 1.000 ! spec=Expt_19, no=335, id=204, vol=2.107373e+07
assign (resid 85 and name HE1) (resid 85 and name HZ2) 2.869 1.029 1.029 !weight 1.000 ! spec=Expt_19, no=336, id=205, vol=7.269478e+06
assign (resid 86 and name HN) (resid 86 and name HB2) 2.784 0.969 0.969 !weight 1.000 ! spec=Expt_19, no=339, id=206, vol=8.705463e+06
assign (resid 86 and name HN) (resid 86 and name HB1) 2.593 0.841 0.841 !weight 1.000 ! spec=Expt_19, no=340, id=207, vol=1.333305e+07
assign (resid 81 and name HN) (resid 81 and name HA) 2.437 0.743 0.743 !weight 1.000 ! spec=Expt_19, no=341, id=208, vol=1.934169e+07
assign (resid 81 and name HN) (resid 81 and name HB2) 2.089 0.546 0.546 !weight 1.000 ! spec=Expt_19, no=342, id=209, vol=4.877478e+07
assign (resid 81 and name HN) (resid 81 and name HD21) 2.870 1.029 1.029 !weight 1.000 ! spec=Expt_19, no=345, id=210, vol=7.260117e+06
or (resid 81 and name HN) (resid 81 and name HD22)
or (resid 81 and name HN) (resid 81 and name HD23)
assign (resid 80 and name HN) (resid 80 and name HA) 2.545 0.810 0.810 !weight 1.000 ! spec=Expt_19, no=346, id=211, vol=1.491627e+07
assign (resid 80 and name HN) (resid 80 and name HB2) 2.754 0.948 0.948 !weight 1.000 ! spec=Expt_19, no=347, id=212, vol=9.295287e+06
assign (resid 80 and name HN) (resid 80 and name HB1) 2.623 0.860 0.860 !weight 1.000 ! spec=Expt_19, no=348, id=213, vol=1.245634e+07
assign (resid 127 and name HN) (resid 127 and name HB) 3.022 1.141 1.141 !weight 1.000 ! spec=Expt_19, no=349, id=214, vol=5.327906e+06
assign (resid 127 and name HN) (resid 127 and name HA) 3.299 1.360 1.360 !weight 1.000 ! spec=Expt_19, no=350, id=215, vol=3.147691e+06
assign (resid 127 and name HN) (resid 127 and name HG13) 3.034 1.151 1.151 !weight 1.000 ! spec=Expt_19, no=351, id=216, vol=5.198307e+06
or (resid 127 and name HN) (resid 127 and name HG12)
or (resid 127 and name HN) (resid 127 and name HG11)
assign (resid 127 and name HN) (resid 127 and name HG21) 2.779 0.965 0.965 !weight 1.000 ! spec=Expt_19, no=352, id=217, vol=8.805182e+06
or (resid 127 and name HN) (resid 127 and name HG23)
or (resid 127 and name HN) (resid 127 and name HG22)
assign (resid 129 and name HN) (resid 129 and name HA) 3.202 1.282 1.282 !weight 1.000 ! spec=Expt_19, no=353, id=218, vol=3.762396e+06
assign (resid 129 and name HN) (resid 129 and name HB) 2.938 1.079 1.079 !weight 1.000 ! spec=Expt_19, no=354, id=219, vol=6.309912e+06
assign (resid 129 and name HN) (resid 129 and name HG13) 2.905 1.055 1.055 !weight 1.000 ! spec=Expt_19, no=355, id=220, vol=6.754899e+06
or (resid 129 and name HN) (resid 129 and name HG12)
or (resid 129 and name HN) (resid 129 and name HG11)
assign (resid 106 and name HN) (resid 106 and name HB2) 2.831 1.002 1.002 !weight 1.000 ! spec=Expt_19, no=357, id=222, vol=7.878238e+06
assign (resid 106 and name HN) (resid 106 and name HB1) 2.730 0.931 0.931 !weight 1.000 ! spec=Expt_19, no=358, id=223, vol=9.801359e+06
assign (resid 106 and name HN) (resid 106 and name HA) 2.437 0.742 0.742 !weight 1.000 ! spec=Expt_19, no=359, id=224, vol=1.936948e+07
assign (resid 108 and name HN) (resid 108 and name HB1) 2.818 0.993 0.993 !weight 1.000 ! spec=Expt_19, no=360, id=225, vol=8.100126e+06
assign (resid 108 and name HN) (resid 108 and name HB2) 2.841 1.009 1.009 !weight 1.000 ! spec=Expt_19, no=361, id=226, vol=7.716687e+06
assign (resid 108 and name HN) (resid 108 and name HA) 2.731 0.932 0.932 !weight 1.000 ! spec=Expt_19, no=362, id=227, vol=9.783417e+06
assign (resid 109 and name HN) (resid 109 and name HA) 2.914 1.061 1.061 !weight 1.000 ! spec=Expt_19, no=363, id=228, vol=6.628430e+06
assign (resid 109 and name HN) (resid 109 and name HG) 2.676 0.895 0.895 !weight 1.000 ! spec=Expt_19, no=365, id=230, vol=1.103864e+07
assign (resid 109 and name HN) (resid 109 and name HD21) 2.746 0.943 0.943 !weight 1.000 ! spec=Expt_19, no=366, id=231, vol=9.459389e+06
or (resid 109 and name HN) (resid 109 and name HD23)
or (resid 109 and name HN) (resid 109 and name HD22)
assign (resid 109 and name HN) (resid 109 and name HB1) 2.885 1.040 1.040 !weight 1.000 ! spec=Expt_19, no=367, id=232, vol=7.038824e+06
assign (resid 179 and name HN) (resid 178 and name HN) 2.809 0.986 0.986 !weight 1.000 ! spec=Expt_19, no=375, id=235, vol=8.254223e+06
assign (resid 180 and name HN) (resid 181 and name HN) 3.098 1.200 1.200 !weight 1.000 ! spec=Expt_19, no=376, id=236, vol=4.589226e+06
assign (resid 180 and name HN) (resid 179 and name HN) 2.916 1.063 1.063 !weight 1.000 ! spec=Expt_19, no=377, id=237, vol=6.595452e+06
assign (resid 179 and name HN) (resid 178 and name HA) 2.738 0.937 0.937 !weight 1.000 ! spec=Expt_19, no=382, id=238, vol=9.625845e+06
assign (resid 181 and name HN) (resid 180 and name HA) 2.296 0.659 0.659 !weight 1.000 ! spec=Expt_19, no=386, id=239, vol=2.770695e+07
assign (resid 103 and name HN) (resid 103 and name HB1) 2.793 0.975 0.975 !weight 1.000 ! spec=Expt_19, no=388, id=240, vol=8.537608e+06
assign (resid 181 and name HN) (resid 180 and name HB1) 3.205 1.284 1.284 !weight 1.000 ! spec=Expt_19, no=389, id=241, vol=3.739566e+06
assign (resid 181 and name HN) (resid 180 and name HB2) 3.325 1.382 1.382 !weight 1.000 ! spec=Expt_19, no=390, id=242, vol=3.000016e+06
assign (resid 178 and name HN) (resid 179 and name HB1) 3.007 1.130 1.130 !weight 1.000 ! spec=Expt_19, no=392, id=243, vol=5.485267e+06
assign (resid 178 and name HN) (resid 179 and name HB2) 3.176 1.261 1.261 !weight 1.000 ! spec=Expt_19, no=393, id=244, vol=3.951731e+06
assign (resid 180 and name HN) (resid 179 and name HB1) 2.866 1.027 1.027 !weight 1.000 ! spec=Expt_19, no=396, id=245, vol=7.311720e+06
assign (resid 180 and name HN) (resid 179 and name HB2) 2.968 1.101 1.101 !weight 1.000 ! spec=Expt_19, no=397, id=246, vol=5.931666e+06
assign (resid 175 and name HN) (resid 176 and name HN) 3.230 1.304 1.304 !weight 1.000 ! spec=Expt_19, no=400, id=247, vol=3.571448e+06
assign (resid 105 and name HN) (resid 104 and name HN) 2.693 0.906 0.906 !weight 1.000 ! spec=Expt_19, no=402, id=248, vol=1.063830e+07
assign (resid 105 and name HN) (resid 108 and name HN) 3.218 1.295 1.295 !weight 1.000 ! spec=Expt_19, no=403, id=249, vol=3.651489e+06
assign (resid 176 and name HN) (resid 175 and name HG) 3.212 1.289 1.289 !weight 1.000 ! spec=Expt_19, no=411, id=251, vol=3.695836e+06
assign (resid 176 and name HN) (resid 175 and name HB1) 2.997 1.122 1.122 !weight 1.000 ! spec=Expt_19, no=412, id=252, vol=5.601717e+06
assign (resid 176 and name HN) (resid 175 and name HD11) 2.984 1.113 1.113 !weight 1.000 ! spec=Expt_19, no=415, id=255, vol=5.747246e+06
or (resid 176 and name HN) (resid 175 and name HD12)
or (resid 176 and name HN) (resid 175 and name HD13)
assign (resid 176 and name HN) (resid 175 and name HD21) 3.194 1.275 1.275 !weight 1.000 ! spec=Expt_19, no=416, id=256, vol=3.823251e+06
or (resid 176 and name HN) (resid 175 and name HD23)
or (resid 176 and name HN) (resid 175 and name HD22)
assign (resid 164 and name HN) (resid 161 and name HN) 3.315 1.373 1.373 !weight 1.000 ! spec=Expt_19, no=424, id=257, vol=3.058245e+06
assign (resid 164 and name HN) (resid 166 and name HN) 3.269 1.336 1.336 !weight 1.000 ! spec=Expt_19, no=425, id=258, vol=3.322366e+06
assign (resid 163 and name HN) (resid 165 and name HN) 2.914 1.062 1.062 !weight 1.000 ! spec=Expt_19, no=427, id=259, vol=6.620346e+06
assign (resid 165 and name HN) (resid 166 and name HN) 2.441 0.745 0.745 !weight 1.000 ! spec=Expt_19, no=429, id=260, vol=1.915407e+07
assign (resid 165 and name HN) (resid 161 and name HN) 3.198 1.279 1.279 !weight 1.000 ! spec=Expt_19, no=430, id=261, vol=3.789615e+06
assign (resid 165 and name HN) (resid 164 and name HN) 2.834 1.004 1.004 !weight 1.000 ! spec=Expt_19, no=431, id=262, vol=7.827662e+06
assign (resid 163 and name HN) (resid 164 and name HN) 2.486 0.772 0.772 !weight 1.000 ! spec=Expt_19, no=432, id=263, vol=1.718882e+07
assign (resid 162 and name HN) (resid 163 and name HN) 3.231 1.305 1.305 !weight 1.000 ! spec=Expt_19, no=438, id=264, vol=3.564725e+06
assign (resid 161 and name HN) (resid 164 and name HD2) 3.264 1.332 1.332 !weight 1.000 ! spec=Expt_19, no=440, id=265, vol=3.355220e+06
assign (resid 160 and name HN) (resid 159 and name HA) 2.397 0.718 0.718 !weight 1.000 ! spec=Expt_19, no=444, id=266, vol=2.136365e+07
assign (resid 162 and name HN) (resid 161 and name HA) 3.011 1.133 1.133 !weight 1.000 ! spec=Expt_19, no=447, id=267, vol=5.439728e+06
assign (resid 155 and name HN) (resid 154 and name HA) 3.190 1.272 1.272 !weight 1.000 ! spec=Expt_19, no=449, id=268, vol=3.851009e+06
assign (resid 165 and name HN) (resid 164 and name HA) 3.083 1.188 1.188 !weight 1.000 ! spec=Expt_19, no=450, id=269, vol=4.724106e+06
assign (resid 164 and name HN) (resid 163 and name HA) 3.053 1.165 1.165 !weight 1.000 ! spec=Expt_19, no=451, id=270, vol=5.005349e+06
assign (resid 163 and name HN) (resid 164 and name HA) 3.120 1.217 1.217 !weight 1.000 ! spec=Expt_19, no=452, id=271, vol=4.392837e+06
assign (resid 163 and name HN) (resid 162 and name HA) 2.890 1.044 1.044 !weight 1.000 ! spec=Expt_19, no=453, id=272, vol=6.966780e+06
assign (resid 164 and name HN) (resid 162 and name HA) 3.230 1.304 1.304 !weight 1.000 ! spec=Expt_19, no=454, id=273, vol=3.568572e+06
assign (resid 155 and name HN) (resid 154 and name HB2) 3.497 1.528 1.528 !weight 1.000 ! spec=Expt_19, no=455, id=274, vol=2.218784e+06
assign (resid 163 and name HN) (resid 162 and name HG2) 2.895 1.048 1.048 !weight 1.000 ! spec=Expt_19, no=456, id=275, vol=6.885782e+06
assign (resid 163 and name HN) (resid 162 and name HB2) 2.724 0.927 0.927 !weight 1.000 ! spec=Expt_19, no=457, id=276, vol=9.937714e+06
assign (resid 162 and name HN) (resid 161 and name HB2) 3.050 1.163 1.163 !weight 1.000 ! spec=Expt_19, no=458, id=277, vol=5.040837e+06
assign (resid 164 and name HN) (resid 160 and name HB1) 3.046 1.160 1.160 !weight 1.000 ! spec=Expt_19, no=461, id=278, vol=5.081168e+06
assign (resid 161 and name HN) (resid 160 and name HB1) 2.783 0.968 0.968 !weight 1.000 ! spec=Expt_19, no=462, id=279, vol=8.727036e+06
assign (resid 161 and name HN) (resid 160 and name HD13) 3.324 1.381 1.381 !weight 1.000 ! spec=Expt_19, no=471, id=281, vol=3.008018e+06
or (resid 161 and name HN) (resid 160 and name HD11)
or (resid 161 and name HN) (resid 160 and name HD12)
assign (resid 161 and name HN) (resid 164 and name HA) 3.311 1.370 1.370 !weight 1.000 ! spec=Expt_19, no=473, id=282, vol=3.079537e+06
assign (resid 155 and name HN) (resid 156 and name HN) 3.368 1.418 1.418 !weight 1.000 ! spec=Expt_19, no=474, id=283, vol=2.780457e+06
assign (resid 104 and name HN) (resid 103 and name HN) 2.771 0.960 0.960 !weight 1.000 ! spec=Expt_19, no=476, id=284, vol=8.959913e+06
assign (resid 133 and name HN) (resid 134 and name HN) 2.639 0.871 0.871 !weight 1.000 ! spec=Expt_19, no=477, id=285, vol=1.200588e+07
assign (resid 152 and name HN) (resid 151 and name HN) 2.900 1.051 1.051 !weight 1.000 ! spec=Expt_19, no=478, id=286, vol=6.825228e+06
assign (resid 152 and name HN) (resid 154 and name HN) 3.330 1.386 1.386 !weight 1.000 ! spec=Expt_19, no=479, id=287, vol=2.974789e+06
assign (resid 104 and name HN) (resid 101 and name HA) 2.900 1.051 1.051 !weight 1.000 ! spec=Expt_19, no=484, id=288, vol=6.818689e+06
assign (resid 152 and name HN) (resid 151 and name HA) 3.298 1.359 1.359 !weight 1.000 ! spec=Expt_19, no=485, id=289, vol=3.154160e+06
assign (resid 104 and name HN) (resid 103 and name HB1) 2.936 1.077 1.077 !weight 1.000 ! spec=Expt_19, no=486, id=290, vol=6.336362e+06
assign (resid 133 and name HN) (resid 132 and name HB2) 3.165 1.252 1.252 !weight 1.000 ! spec=Expt_19, no=487, id=291, vol=4.035975e+06
assign (resid 152 and name HN) (resid 151 and name HB3) 2.778 0.965 0.965 !weight 1.000 ! spec=Expt_19, no=489, id=292, vol=8.821648e+06
or (resid 152 and name HN) (resid 151 and name HB2)
or (resid 152 and name HN) (resid 151 and name HB1)
assign (resid 104 and name HN) (resid 100 and name HG22) 2.969 1.102 1.102 !weight 1.000 ! spec=Expt_19, no=492, id=293, vol=5.918711e+06
or (resid 104 and name HN) (resid 100 and name HG23)
or (resid 104 and name HN) (resid 100 and name HG21)
assign (resid 104 and name HN) (resid 109 and name HD21) 3.065 1.174 1.174 !weight 1.000 ! spec=Expt_19, no=493, id=294, vol=4.889853e+06
or (resid 104 and name HN) (resid 109 and name HD23)
or (resid 104 and name HN) (resid 109 and name HD22)
assign (resid 133 and name HN) (resid 132 and name HD12) 3.197 1.277 1.277 !weight 1.000 ! spec=Expt_19, no=495, id=296, vol=3.800026e+06
or (resid 133 and name HN) (resid 132 and name HD11)
or (resid 133 and name HN) (resid 132 and name HD13)
assign (resid 142 and name HN) (resid 141 and name HN) 2.504 0.784 0.784 !weight 1.000 ! spec=Expt_19, no=496, id=297, vol=1.644740e+07
assign (resid 134 and name HN) (resid 135 and name HN) 2.369 0.701 0.701 !weight 1.000 ! spec=Expt_19, no=497, id=298, vol=2.295082e+07
assign (resid 142 and name HN) (resid 139 and name HA) 3.016 1.137 1.137 !weight 1.000 ! spec=Expt_19, no=498, id=299, vol=5.391818e+06
assign (resid 134 and name HN) (resid 133 and name HA) 3.332 1.388 1.388 !weight 1.000 ! spec=Expt_19, no=500, id=300, vol=2.962877e+06
assign (resid 134 and name HN) (resid 133 and name HB) 2.962 1.097 1.097 !weight 1.000 ! spec=Expt_19, no=501, id=301, vol=6.005745e+06
assign (resid 142 and name HN) (resid 141 and name HA) 3.058 1.169 1.169 !weight 1.000 ! spec=Expt_19, no=502, id=302, vol=4.956272e+06
assign (resid 134 and name HN) (resid 132 and name HA) 3.226 1.301 1.301 !weight 1.000 ! spec=Expt_19, no=503, id=303, vol=3.600630e+06
assign (resid 142 and name HN) (resid 141 and name HB1) 2.865 1.026 1.026 !weight 1.000 ! spec=Expt_19, no=504, id=304, vol=7.338984e+06
assign (resid 142 and name HN) (resid 141 and name HB2) 2.966 1.100 1.100 !weight 1.000 ! spec=Expt_19, no=506, id=305, vol=5.953598e+06
assign (resid 134 and name HN) (resid 133 and name HG22) 2.963 1.097 1.097 !weight 1.000 ! spec=Expt_19, no=509, id=307, vol=5.998679e+06
or (resid 134 and name HN) (resid 133 and name HG23)
or (resid 134 and name HN) (resid 133 and name HG21)
assign (resid 111 and name HN) (resid 112 and name HN) 2.391 0.715 0.715 !weight 1.000 ! spec=Expt_19, no=513, id=308, vol=2.171030e+07
assign (resid 111 and name HN) (resid 110 and name HN) 2.694 0.907 0.907 !weight 1.000 ! spec=Expt_19, no=514, id=309, vol=1.060982e+07
assign (resid 111 and name HN) (resid 109 and name HA) 3.295 1.357 1.357 !weight 1.000 ! spec=Expt_19, no=519, id=312, vol=3.169196e+06
assign (resid 111 and name HN) (resid 112 and name HB1) 3.159 1.248 1.248 !weight 1.000 ! spec=Expt_19, no=522, id=313, vol=4.078816e+06
assign (resid 110 and name HN) (resid 109 and name HG) 3.408 1.452 1.452 !weight 1.000 ! spec=Expt_19, no=523, id=314, vol=2.589119e+06
assign (resid 110 and name HN) (resid 109 and name HD21) 3.296 1.358 1.358 !weight 1.000 ! spec=Expt_19, no=525, id=315, vol=3.160917e+06
or (resid 110 and name HN) (resid 109 and name HD23)
or (resid 110 and name HN) (resid 109 and name HD22)
assign (resid 110 and name HN) (resid 109 and name HD12) 3.589 1.610 1.610 !weight 1.000 ! spec=Expt_19, no=526, id=316, vol=1.898640e+06
or (resid 110 and name HN) (resid 109 and name HD11)
or (resid 110 and name HN) (resid 109 and name HD13)
assign (resid 111 and name HN) (resid 110 and name HB2) 3.018 1.138 1.138 !weight 1.000 ! spec=Expt_19, no=527, id=317, vol=5.371950e+06
assign (resid 111 and name HN) (resid 112 and name HB2) 3.271 1.338 1.338 !weight 1.000 ! spec=Expt_19, no=530, id=318, vol=3.310152e+06
assign (resid 108 and name HN) (resid 109 and name HN) 2.775 0.962 0.962 !weight 1.000 ! spec=Expt_19, no=531, id=319, vol=8.888305e+06
assign (resid 140 and name HN) (resid 141 and name HN) 2.863 1.024 1.024 !weight 1.000 ! spec=Expt_19, no=534, id=320, vol=7.367828e+06
assign (resid 140 and name HN) (resid 139 and name HN) 3.036 1.152 1.152 !weight 1.000 ! spec=Expt_19, no=535, id=321, vol=5.180134e+06
assign (resid 108 and name HN) (resid 110 and name HN) 3.081 1.187 1.187 !weight 1.000 ! spec=Expt_19, no=536, id=322, vol=4.738140e+06
assign (resid 108 and name HN) (resid 107 and name HA) 3.106 1.206 1.206 !weight 1.000 ! spec=Expt_19, no=539, id=323, vol=4.512965e+06
assign (resid 108 and name HN) (resid 107 and name HG2) 3.144 1.236 1.236 !weight 1.000 ! spec=Expt_19, no=540, id=324, vol=4.196358e+06
assign (resid 108 and name HN) (resid 107 and name HB2) 2.947 1.085 1.085 !weight 1.000 ! spec=Expt_19, no=541, id=325, vol=6.196352e+06
assign (resid 108 and name HN) (resid 107 and name HB1) 2.865 1.026 1.026 !weight 1.000 ! spec=Expt_19, no=542, id=326, vol=7.328012e+06
assign (resid 140 and name HN) (resid 139 and name HB1) 3.179 1.263 1.263 !weight 1.000 ! spec=Expt_19, no=543, id=327, vol=3.928501e+06
assign (resid 140 and name HN) (resid 139 and name HB2) 3.075 1.182 1.182 !weight 1.000 ! spec=Expt_19, no=544, id=328, vol=4.797488e+06
assign (resid 170 and name HN) (resid 169 and name HA) 2.694 0.907 0.907 !weight 1.000 ! spec=Expt_19, no=551, id=330, vol=1.061383e+07
assign (resid 171 and name HN) (resid 170 and name HA) 3.436 1.476 1.476 !weight 1.000 ! spec=Expt_19, no=552, id=331, vol=2.465286e+06
assign (resid 170 and name HN) (resid 169 and name HB1) 3.482 1.515 1.515 !weight 1.000 ! spec=Expt_19, no=556, id=332, vol=2.275806e+06
assign (resid 154 and name HN) (resid 153 and name HN) 2.677 0.896 0.896 !weight 1.000 ! spec=Expt_19, no=562, id=333, vol=1.101172e+07
assign (resid 154 and name HN) (resid 155 and name HN) 2.570 0.826 0.826 !weight 1.000 ! spec=Expt_19, no=563, id=334, vol=1.407877e+07
assign (resid 154 and name HN) (resid 152 and name HA) 2.942 1.082 1.082 !weight 1.000 ! spec=Expt_19, no=564, id=335, vol=6.251713e+06
assign (resid 154 and name HN) (resid 151 and name HB3) 3.231 1.305 1.305 !weight 1.000 ! spec=Expt_19, no=566, id=336, vol=3.561804e+06
or (resid 154 and name HN) (resid 151 and name HB2)
or (resid 154 and name HN) (resid 151 and name HB1)
assign (resid 154 and name HN) (resid 93 and name HG22) 3.039 1.155 1.155 !weight 1.000 ! spec=Expt_19, no=570, id=337, vol=5.146292e+06
or (resid 154 and name HN) (resid 93 and name HG23)
or (resid 154 and name HN) (resid 93 and name HG21)
assign (resid 95 and name HN) (resid 96 and name HN) 3.042 1.157 1.157 !weight 1.000 ! spec=Expt_19, no=573, id=338, vol=5.115380e+06
assign (resid 95 and name HN) (resid 92 and name HN) 3.636 1.652 1.652 !weight 1.000 ! spec=Expt_19, no=574, id=339, vol=1.755532e+06
assign (resid 95 and name HN) (resid 94 and name HA) 3.086 1.190 1.190 !weight 1.000 ! spec=Expt_19, no=575, id=340, vol=4.699783e+06
assign (resid 95 and name HN) (resid 94 and name HB2) 2.640 0.872 0.872 !weight 1.000 ! spec=Expt_19, no=576, id=341, vol=1.196654e+07
assign (resid 95 and name HN) (resid 92 and name HD13) 3.190 1.272 1.272 !weight 1.000 ! spec=Expt_19, no=579, id=343, vol=3.850033e+06
or (resid 95 and name HN) (resid 92 and name HD12)
or (resid 95 and name HN) (resid 92 and name HD11)
assign (resid 95 and name HN) (resid 92 and name HD21) 3.299 1.361 1.361 !weight 1.000 ! spec=Expt_19, no=580, id=344, vol=3.144458e+06
or (resid 95 and name HN) (resid 92 and name HD23)
or (resid 95 and name HN) (resid 92 and name HD22)
assign (resid 107 and name HN) (resid 106 and name HN) 2.897 1.049 1.049 !weight 1.000 ! spec=Expt_19, no=581, id=345, vol=6.861882e+06
assign (resid 89 and name HN) (resid 90 and name HN) 3.144 1.236 1.236 !weight 1.000 ! spec=Expt_19, no=582, id=346, vol=4.199928e+06
assign (resid 94 and name HN) (resid 93 and name HN) 2.813 0.989 0.989 !weight 1.000 ! spec=Expt_19, no=585, id=347, vol=8.188485e+06
assign (resid 94 and name HN) (resid 92 and name HN) 3.173 1.258 1.258 !weight 1.000 ! spec=Expt_19, no=587, id=348, vol=3.976009e+06
assign (resid 94 and name HN) (resid 95 and name HN) 2.602 0.846 0.846 !weight 1.000 ! spec=Expt_19, no=588, id=349, vol=1.307679e+07
assign (resid 89 and name HN) (resid 91 and name HN) 3.196 1.277 1.277 !weight 1.000 ! spec=Expt_19, no=591, id=351, vol=3.805640e+06
assign (resid 151 and name HN) (resid 150 and name HN) 2.547 0.811 0.811 !weight 1.000 ! spec=Expt_19, no=592, id=352, vol=1.484196e+07
assign (resid 90 and name HN) (resid 92 and name HN) 3.378 1.426 1.426 !weight 1.000 ! spec=Expt_19, no=594, id=353, vol=2.730000e+06
assign (resid 107 and name HN) (resid 108 and name HN) 2.934 1.076 1.076 !weight 1.000 ! spec=Expt_19, no=595, id=354, vol=6.360780e+06
assign (resid 90 and name HN) (resid 89 and name HA) 2.660 0.885 0.885 !weight 1.000 ! spec=Expt_19, no=599, id=355, vol=1.144362e+07
assign (resid 107 and name HN) (resid 106 and name HA) 2.817 0.992 0.992 !weight 1.000 ! spec=Expt_19, no=600, id=356, vol=8.124312e+06
assign (resid 157 and name HN) (resid 156 and name HA) 2.781 0.967 0.967 !weight 1.000 ! spec=Expt_19, no=602, id=357, vol=8.773089e+06
assign (resid 94 and name HN) (resid 90 and name HA) 3.161 1.249 1.249 !weight 1.000 ! spec=Expt_19, no=604, id=358, vol=4.061639e+06
assign (resid 94 and name HN) (resid 91 and name HA) 4.948 1.086 1.086 !weight 1.000 ! spec=Expt_19, no=605, id=359, vol=6.177424e+06
assign (resid 94 and name HN) (resid 92 and name HA) 3.154 1.243 1.243 !weight 1.000 ! spec=Expt_19, no=606, id=360, vol=4.121123e+06
assign (resid 94 and name HN) (resid 93 and name HA) 3.262 1.330 1.330 !weight 1.000 ! spec=Expt_19, no=612, id=361, vol=3.364253e+06
assign (resid 90 and name HN) (resid 89 and name HB1) 2.897 1.049 1.049 !weight 1.000 ! spec=Expt_19, no=613, id=362, vol=6.865190e+06
assign (resid 107 and name HN) (resid 106 and name HB2) 2.890 1.044 1.044 !weight 1.000 ! spec=Expt_19, no=614, id=363, vol=6.959188e+06
assign (resid 90 and name HN) (resid 89 and name HB2) 2.930 1.073 1.073 !weight 1.000 ! spec=Expt_19, no=616, id=365, vol=6.413917e+06
assign (resid 89 and name HN) (resid 92 and name HB2) 4.838 1.007 1.007 !weight 1.000 ! spec=Expt_19, no=620, id=366, vol=7.762856e+06
assign (resid 89 and name HN) (resid 92 and name HB1) 3.005 1.129 1.129 !weight 1.000 ! spec=Expt_19, no=621, id=367, vol=5.506503e+06
assign (resid 90 and name HN) (resid 93 and name HD12) 3.431 1.471 1.471 !weight 1.000 ! spec=Expt_19, no=631, id=368, vol=2.487931e+06
or (resid 90 and name HN) (resid 93 and name HD13)
or (resid 90 and name HN) (resid 93 and name HD11)
assign (resid 151 and name HN) (resid 152 and name HD12) 3.164 1.251 1.251 !weight 1.000 ! spec=Expt_19, no=632, id=369, vol=4.045999e+06
or (resid 151 and name HN) (resid 152 and name HD11)
or (resid 151 and name HN) (resid 152 and name HD13)
assign (resid 151 and name HN) (resid 96 and name HD13) 2.961 1.096 1.096 !weight 1.000 ! spec=Expt_19, no=633, id=370, vol=6.015201e+06
or (resid 151 and name HN) (resid 96 and name HD11)
or (resid 151 and name HN) (resid 96 and name HD12)
assign (resid 98 and name HN) (resid 97 and name HN) 2.782 0.968 0.968 !weight 1.000 ! spec=Expt_19, no=642, id=373, vol=8.745624e+06
assign (resid 98 and name HN) (resid 96 and name HN) 2.968 1.101 1.101 !weight 1.000 ! spec=Expt_19, no=643, id=374, vol=5.932634e+06
assign (resid 114 and name HN) (resid 116 and name HN) 3.492 1.524 1.524 !weight 1.000 ! spec=Expt_19, no=646, id=377, vol=2.238238e+06
assign (resid 98 and name HN) (resid 99 and name HN) 2.705 0.914 0.914 !weight 1.000 ! spec=Expt_19, no=648, id=378, vol=1.036138e+07
assign (resid 99 and name HN) (resid 100 and name HN) 2.774 0.962 0.962 !weight 1.000 ! spec=Expt_19, no=649, id=379, vol=8.894833e+06
assign (resid 138 and name HN) (resid 137 and name HN) 3.142 1.234 1.234 !weight 1.000 ! spec=Expt_19, no=652, id=380, vol=4.215204e+06
assign (resid 99 and name HN) (resid 102 and name HN) 3.447 1.485 1.485 !weight 1.000 ! spec=Expt_19, no=654, id=381, vol=2.418317e+06
assign (resid 99 and name HN) (resid 98 and name HA) 3.053 1.165 1.165 !weight 1.000 ! spec=Expt_19, no=663, id=383, vol=5.007391e+06
assign (resid 99 and name HN) (resid 96 and name HA) 3.022 1.141 1.141 !weight 1.000 ! spec=Expt_19, no=664, id=384, vol=5.327204e+06
assign (resid 102 and name HN) (resid 101 and name HA) 3.385 1.432 1.432 !weight 1.000 ! spec=Expt_19, no=665, id=385, vol=2.696670e+06
assign (resid 114 and name HN) (resid 113 and name HA) 3.237 1.310 1.310 !weight 1.000 ! spec=Expt_19, no=667, id=386, vol=3.525201e+06
assign (resid 98 and name HN) (resid 95 and name HA) 3.170 1.256 1.256 !weight 1.000 ! spec=Expt_19, no=668, id=387, vol=3.997149e+06
assign (resid 98 and name HN) (resid 94 and name HA) 3.085 1.190 1.190 !weight 1.000 ! spec=Expt_19, no=669, id=388, vol=4.702548e+06
assign (resid 98 and name HN) (resid 97 and name HA) 3.122 1.218 1.218 !weight 1.000 ! spec=Expt_19, no=670, id=389, vol=4.383014e+06
assign (resid 99 and name HN) (resid 98 and name HB1) 2.858 1.021 1.021 !weight 1.000 ! spec=Expt_19, no=672, id=390, vol=7.445501e+06
assign (resid 99 and name HN) (resid 97 and name HA) 3.483 1.516 1.516 !weight 1.000 ! spec=Expt_19, no=673, id=391, vol=2.273066e+06
assign (resid 99 and name HN) (resid 98 and name HB2) 2.881 1.038 1.038 !weight 1.000 ! spec=Expt_19, no=674, id=392, vol=7.090366e+06
assign (resid 93 and name HN) (resid 92 and name HB2) 3.234 1.307 1.307 !weight 1.000 ! spec=Expt_19, no=679, id=394, vol=3.547457e+06
assign (resid 114 and name HN) (resid 113 and name HB2) 2.713 0.920 0.920 !weight 1.000 ! spec=Expt_19, no=680, id=395, vol=1.016107e+07
or (resid 114 and name HN) (resid 113 and name HB3)
or (resid 114 and name HN) (resid 113 and name HB1)
assign (resid 99 and name HN) (resid 100 and name HD13) 2.887 1.042 1.042 !weight 1.000 ! spec=Expt_19, no=684, id=397, vol=7.000336e+06
or (resid 99 and name HN) (resid 100 and name HD11)
or (resid 99 and name HN) (resid 100 and name HD12)
assign (resid 167 and name HN) (resid 127 and name HN) 3.038 0.504 1.054 !weight 1.000 ! spec=Expt_19, no=687, id=398, vol=5.154336e+06
assign (resid 159 and name HN) (resid 168 and name HN) 3.140 1.233 1.233 !weight 1.000 ! spec=Expt_19, no=689, id=400, vol=4.230599e+06
assign (resid 100 and name HN) (resid 97 and name HN) 3.744 1.753 1.753 !weight 1.000 ! spec=Expt_19, no=691, id=401, vol=1.471402e+06
assign (resid 109 and name HN) (resid 110 and name HN) 2.913 1.061 1.061 !weight 1.000 ! spec=Expt_19, no=698, id=402, vol=6.633341e+06
assign (resid 109 and name HN) (resid 111 and name HN) 3.285 1.349 1.349 !weight 1.000 ! spec=Expt_19, no=701, id=403, vol=3.229943e+06
assign (resid 159 and name HN) (resid 158 and name HA) 3.007 1.130 1.130 !weight 1.000 ! spec=Expt_19, no=704, id=404, vol=5.490306e+06
assign (resid 93 and name HN) (resid 92 and name HA) 3.167 1.253 1.253 !weight 1.000 ! spec=Expt_19, no=708, id=406, vol=4.023058e+06
assign (resid 93 and name HN) (resid 90 and name HA) 3.191 1.273 1.273 !weight 1.000 ! spec=Expt_19, no=711, id=407, vol=3.838045e+06
assign (resid 141 and name HN) (resid 138 and name HA) 3.751 1.759 1.759 !weight 1.000 ! spec=Expt_19, no=712, id=408, vol=1.455938e+06
assign (resid 100 and name HN) (resid 97 and name HA) 3.384 1.431 1.431 !weight 1.000 ! spec=Expt_19, no=714, id=409, vol=2.700415e+06
assign (resid 101 and name HN) (resid 97 and name HA) 3.910 1.911 1.911 !weight 1.000 ! spec=Expt_19, no=715, id=410, vol=1.135171e+06
assign (resid 109 and name HN) (resid 108 and name HB1) 3.163 1.251 1.251 !weight 1.000 ! spec=Expt_19, no=717, id=411, vol=4.050192e+06
assign (resid 141 and name HN) (resid 139 and name HB2) 3.329 1.385 1.385 !weight 1.000 ! spec=Expt_19, no=723, id=412, vol=2.980307e+06
assign (resid 109 and name HN) (resid 108 and name HB2) 3.192 1.274 1.274 !weight 1.000 ! spec=Expt_19, no=724, id=413, vol=3.833757e+06
assign (resid 167 and name HN) (resid 127 and name HG13) 2.837 1.006 1.006 !weight 1.000 ! spec=Expt_19, no=726, id=414, vol=7.779059e+06
or (resid 167 and name HN) (resid 127 and name HG12)
or (resid 167 and name HN) (resid 127 and name HG11)
assign (resid 159 and name HN) (resid 158 and name HB2) 2.925 1.070 1.070 !weight 1.000 ! spec=Expt_19, no=729, id=415, vol=6.469869e+06
assign (resid 159 and name HN) (resid 160 and name HD21) 2.846 1.013 1.013 !weight 1.000 ! spec=Expt_19, no=730, id=416, vol=7.628490e+06
or (resid 159 and name HN) (resid 160 and name HD22)
or (resid 159 and name HN) (resid 160 and name HD23)
assign (resid 159 and name HN) (resid 158 and name HD11) 3.167 1.254 1.254 !weight 1.000 ! spec=Expt_19, no=731, id=417, vol=4.020843e+06
or (resid 159 and name HN) (resid 158 and name HD12)
or (resid 159 and name HN) (resid 158 and name HD13)
assign (resid 101 and name HN) (resid 158 and name HD11) 3.763 1.770 1.770 !weight 1.000 ! spec=Expt_19, no=732, id=418, vol=1.427389e+06
or (resid 101 and name HN) (resid 158 and name HD12)
or (resid 101 and name HN) (resid 158 and name HD13)
assign (resid 93 and name HN) (resid 92 and name HD13) 3.367 1.417 1.417 !weight 1.000 ! spec=Expt_19, no=733, id=419, vol=2.783626e+06
or (resid 93 and name HN) (resid 92 and name HD12)
or (resid 93 and name HN) (resid 92 and name HD11)
assign (resid 148 and name HN) (resid 149 and name HN) 3.059 1.170 1.170 !weight 1.000 ! spec=Expt_19, no=735, id=421, vol=4.947601e+06
assign (resid 132 and name HN) (resid 133 and name HN) 2.198 0.604 0.604 !weight 1.000 ! spec=Expt_19, no=737, id=422, vol=3.599453e+07
assign (resid 148 and name HN) (resid 145 and name HA) 3.202 1.282 1.282 !weight 1.000 ! spec=Expt_19, no=740, id=423, vol=3.759522e+06
assign (resid 132 and name HN) (resid 131 and name HA) 3.163 1.250 1.250 !weight 1.000 ! spec=Expt_19, no=743, id=424, vol=4.052856e+06
assign (resid 132 and name HN) (resid 129 and name HA) 3.144 1.236 1.236 !weight 1.000 ! spec=Expt_19, no=744, id=425, vol=4.197901e+06
assign (resid 132 and name HN) (resid 131 and name HG) 2.801 0.981 0.981 !weight 1.000 ! spec=Expt_19, no=747, id=426, vol=8.395412e+06
assign (resid 132 and name HN) (resid 131 and name HD21) 3.359 1.410 1.410 !weight 1.000 ! spec=Expt_19, no=751, id=427, vol=2.825586e+06
or (resid 132 and name HN) (resid 131 and name HD23)
or (resid 132 and name HN) (resid 131 and name HD22)
assign (resid 97 and name HN) (resid 96 and name HN) 2.813 0.989 0.989 !weight 1.000 ! spec=Expt_19, no=752, id=428, vol=8.187563e+06
assign (resid 166 and name HN) (resid 161 and name HN) 2.882 1.038 1.038 !weight 1.000 ! spec=Expt_19, no=754, id=429, vol=7.077071e+06
assign (resid 91 and name HN) (resid 93 and name HN) 3.066 1.175 1.175 !weight 1.000 ! spec=Expt_19, no=755, id=430, vol=4.878822e+06
assign (resid 103 and name HN) (resid 103 and name HE1) 4.027 2.027 2.027 !weight 1.000 ! spec=Expt_19, no=763, id=432, vol=9.507715e+05
or (resid 103 and name HN) (resid 103 and name HE2)
assign (resid 101 and name HN) (resid 102 and name HN) 3.149 1.240 1.240 !weight 1.000 ! spec=Expt_19, no=766, id=433, vol=4.156658e+06
assign (resid 101 and name HN) (resid 103 and name HN) 3.524 1.552 1.552 !weight 1.000 ! spec=Expt_19, no=767, id=434, vol=2.119320e+06
assign (resid 143 and name HN) (resid 142 and name HB) 3.245 1.316 1.316 !weight 1.000 ! spec=Expt_19, no=769, id=436, vol=3.473552e+06
assign (resid 141 and name HN) (resid 140 and name HA) 3.385 1.432 1.432 !weight 1.000 ! spec=Expt_19, no=770, id=437, vol=2.697395e+06
assign (resid 103 and name HN) (resid 102 and name HA) 3.486 1.519 1.519 !weight 1.000 ! spec=Expt_19, no=771, id=438, vol=2.260382e+06
assign (resid 91 and name HN) (resid 90 and name HA) 3.274 1.340 1.340 !weight 1.000 ! spec=Expt_19, no=773, id=440, vol=3.294148e+06
assign (resid 101 and name HN) (resid 100 and name HB) 2.944 1.084 1.084 !weight 1.000 ! spec=Expt_19, no=775, id=441, vol=6.226931e+06
assign (resid 101 and name HN) (resid 100 and name HG12) 2.786 0.970 0.970 !weight 1.000 ! spec=Expt_19, no=776, id=442, vol=8.670703e+06
assign (resid 143 and name HN) (resid 142 and name HG21) 3.144 1.235 1.235 !weight 1.000 ! spec=Expt_19, no=782, id=444, vol=4.200868e+06
or (resid 143 and name HN) (resid 142 and name HG23)
or (resid 143 and name HN) (resid 142 and name HG22)
assign (resid 166 and name HN) (resid 165 and name HB2) 2.844 1.011 1.011 !weight 1.000 ! spec=Expt_19, no=785, id=445, vol=7.665466e+06
assign (resid 97 and name HN) (resid 93 and name HG22) 3.041 1.156 1.156 !weight 1.000 ! spec=Expt_19, no=787, id=446, vol=5.124607e+06
or (resid 97 and name HN) (resid 93 and name HG23)
or (resid 97 and name HN) (resid 93 and name HG21)
assign (resid 97 and name HN) (resid 96 and name HB2) 3.041 1.156 1.156 !weight 1.000 ! spec=Expt_19, no=788, id=447, vol=5.128313e+06
assign (resid 101 and name HN) (resid 100 and name HG22) 3.301 1.362 1.362 !weight 1.000 ! spec=Expt_19, no=789, id=448, vol=3.136641e+06
or (resid 101 and name HN) (resid 100 and name HG23)
or (resid 101 and name HN) (resid 100 and name HG21)
assign (resid 101 and name HN) (resid 100 and name HD13) 2.966 1.099 1.099 !weight 1.000 ! spec=Expt_19, no=790, id=449, vol=5.961647e+06
or (resid 101 and name HN) (resid 100 and name HD11)
or (resid 101 and name HN) (resid 100 and name HD12)
assign (resid 153 and name HN) (resid 152 and name HN) 2.818 0.992 0.992 !weight 1.000 ! spec=Expt_19, no=796, id=450, vol=8.102576e+06
assign (resid 149 and name HN) (resid 150 and name HN) 3.643 1.659 1.659 !weight 1.000 ! spec=Expt_19, no=798, id=451, vol=1.735164e+06
assign (resid 103 and name HN) (resid 102 and name HN) 2.841 1.009 1.009 !weight 1.000 ! spec=Expt_19, no=801, id=452, vol=7.705494e+06
assign (resid 147 and name HN) (resid 146 and name HN) 2.851 1.016 1.016 !weight 1.000 ! spec=Expt_19, no=802, id=453, vol=7.557192e+06
assign (resid 147 and name HN) (resid 148 and name HN) 2.660 0.885 0.885 !weight 1.000 ! spec=Expt_19, no=803, id=454, vol=1.143795e+07
assign (resid 103 and name HN) (resid 103 and name HD2) 2.960 1.095 1.095 !weight 1.000 ! spec=Expt_19, no=806, id=455, vol=6.025595e+06
or (resid 103 and name HN) (resid 103 and name HD1)
assign (resid 158 and name HN) (resid 157 and name HA) 3.257 1.326 1.326 !weight 1.000 ! spec=Expt_19, no=811, id=457, vol=3.395300e+06
assign (resid 153 and name HN) (resid 152 and name HA) 3.095 1.197 1.197 !weight 1.000 ! spec=Expt_19, no=813, id=458, vol=4.618178e+06
assign (resid 103 and name HN) (resid 102 and name HB2) 2.848 1.014 1.014 !weight 1.000 ! spec=Expt_19, no=816, id=459, vol=7.601606e+06
assign (resid 115 and name HN) (resid 114 and name HB2) 2.981 1.111 1.111 !weight 1.000 ! spec=Expt_19, no=817, id=460, vol=5.779132e+06
assign (resid 96 and name HN) (resid 95 and name HA) 3.543 1.570 1.570 !weight 1.000 ! spec=Expt_19, no=818, id=461, vol=2.048749e+06
assign (resid 127 and name HN) (resid 126 and name HA) 2.890 1.044 1.044 !weight 1.000 ! spec=Expt_19, no=821, id=462, vol=6.960665e+06
assign (resid 149 and name HN) (resid 146 and name HA) 3.637 1.653 1.653 !weight 1.000 ! spec=Expt_19, no=822, id=463, vol=1.753125e+06
assign (resid 149 and name HN) (resid 129 and name HG23) 3.696 1.708 1.708 !weight 1.000 ! spec=Expt_19, no=824, id=464, vol=1.589919e+06
or (resid 149 and name HN) (resid 129 and name HG21)
or (resid 149 and name HN) (resid 129 and name HG22)
assign (resid 96 and name HN) (resid 92 and name HD21) 3.230 1.304 1.304 !weight 1.000 ! spec=Expt_19, no=828, id=466, vol=3.572330e+06
or (resid 96 and name HN) (resid 92 and name HD23)
or (resid 96 and name HN) (resid 92 and name HD22)
assign (resid 158 and name HN) (resid 157 and name HB) 3.425 1.467 1.467 !weight 1.000 ! spec=Expt_19, no=838, id=467, vol=2.511374e+06
assign (resid 169 and name HN) (resid 170 and name HN) 3.525 1.553 1.553 !weight 1.000 ! spec=Expt_19, no=840, id=468, vol=2.115003e+06
assign (resid 80 and name HN) (resid 78 and name HN) 3.074 1.181 1.181 !weight 1.000 ! spec=Expt_19, no=843, id=470, vol=4.808906e+06
assign (resid 78 and name HN) (resid 79 and name HN) 2.604 0.848 0.848 !weight 1.000 ! spec=Expt_19, no=844, id=471, vol=1.299746e+07
assign (resid 169 and name HN) (resid 168 and name HA) 3.055 1.167 1.167 !weight 1.000 ! spec=Expt_19, no=856, id=473, vol=4.986619e+06
assign (resid 78 and name HN) (resid 81 and name HB2) 3.153 1.242 1.242 !weight 1.000 ! spec=Expt_19, no=865, id=474, vol=4.130899e+06
assign (resid 81 and name HN) (resid 80 and name HN) 2.496 0.779 0.779 !weight 1.000 ! spec=Expt_19, no=877, id=477, vol=1.677308e+07
assign (resid 81 and name HN) (resid 78 and name HN) 2.892 1.045 1.045 !weight 1.000 ! spec=Expt_19, no=878, id=478, vol=6.934924e+06
assign (resid 81 and name HN) (resid 80 and name HB2) 2.955 1.092 1.092 !weight 1.000 ! spec=Expt_19, no=885, id=479, vol=6.086442e+06
assign (resid 81 and name HN) (resid 80 and name HB1) 2.905 1.055 1.055 !weight 1.000 ! spec=Expt_19, no=886, id=480, vol=6.753439e+06
assign (resid 156 and name HN) (resid 157 and name HG21) 2.822 0.995 0.995 !weight 1.000 ! spec=Expt_19, no=889, id=481, vol=8.036415e+06
or (resid 156 and name HN) (resid 157 and name HG22)
or (resid 156 and name HN) (resid 157 and name HG23)
assign (resid 93 and name HN) (resid 92 and name HN) 2.858 1.021 1.021 !weight 1.000 ! spec=Expt_19, no=891, id=482, vol=7.442623e+06
assign (resid 92 and name HN) (resid 91 and name HA) 3.143 1.235 1.235 !weight 1.000 ! spec=Expt_19, no=895, id=483, vol=4.208397e+06
assign (resid 106 and name HN) (resid 105 and name HN) 3.442 1.481 1.481 !weight 1.000 ! spec=Expt_19, no=904, id=484, vol=2.439410e+06
assign (resid 112 and name HN) (resid 110 and name HN) 3.319 1.377 1.377 !weight 1.000 ! spec=Expt_19, no=905, id=485, vol=3.036195e+06
assign (resid 112 and name HN) (resid 109 and name HA) 3.136 1.229 1.229 !weight 1.000 ! spec=Expt_19, no=908, id=486, vol=4.266998e+06
assign (resid 112 and name HN) (resid 110 and name HA) 3.497 1.528 1.528 !weight 1.000 ! spec=Expt_19, no=913, id=487, vol=2.219290e+06
assign (resid 144 and name HN) (resid 143 and name HB1) 3.099 1.201 1.201 !weight 1.000 ! spec=Expt_19, no=914, id=488, vol=4.574644e+06
assign (resid 112 and name HN) (resid 111 and name HB2) 3.201 1.281 1.281 !weight 1.000 ! spec=Expt_19, no=917, id=489, vol=3.771432e+06
assign (resid 112 and name HN) (resid 111 and name HB1) 3.043 1.158 1.158 !weight 1.000 ! spec=Expt_19, no=918, id=490, vol=5.103764e+06
assign (resid 112 and name HN) (resid 109 and name HD12) 3.349 1.402 1.402 !weight 1.000 ! spec=Expt_19, no=920, id=491, vol=2.876427e+06
or (resid 112 and name HN) (resid 109 and name HD11)
or (resid 112 and name HN) (resid 109 and name HD13)
assign (resid 106 and name HN) (resid 109 and name HD21) 3.568 1.591 1.591 !weight 1.000 ! spec=Expt_19, no=921, id=492, vol=1.966831e+06
or (resid 106 and name HN) (resid 109 and name HD23)
or (resid 106 and name HN) (resid 109 and name HD22)
assign (resid 135 and name HN) (resid 139 and name HN) 3.414 1.457 1.457 !weight 1.000 ! spec=Expt_19, no=924, id=493, vol=2.560362e+06
assign (resid 135 and name HN) (resid 134 and name HA) 3.042 1.157 1.157 !weight 1.000 ! spec=Expt_19, no=925, id=494, vol=5.120434e+06
assign (resid 135 and name HN) (resid 138 and name HG23) 3.147 1.238 1.238 !weight 1.000 ! spec=Expt_19, no=928, id=496, vol=4.177582e+06
or (resid 135 and name HN) (resid 138 and name HG22)
or (resid 135 and name HN) (resid 138 and name HG21)
assign (resid 135 and name HN) (resid 138 and name HG12) 3.264 1.332 1.332 !weight 1.000 ! spec=Expt_19, no=929, id=497, vol=3.354779e+06
or (resid 135 and name HN) (resid 138 and name HG11)
or (resid 135 and name HN) (resid 138 and name HG13)
assign (resid 114 and name HN) (resid 113 and name HN) 2.710 0.918 0.918 !weight 1.000 ! spec=Expt_19, no=930, id=498, vol=1.023833e+07
assign (resid 113 and name HN) (resid 112 and name HB1) 3.196 1.277 1.277 !weight 1.000 ! spec=Expt_19, no=935, id=499, vol=3.804705e+06
assign (resid 113 and name HN) (resid 112 and name HB2) 3.172 1.258 1.258 !weight 1.000 ! spec=Expt_19, no=936, id=500, vol=3.981926e+06
assign (resid 86 and name HN) (resid 85 and name HN) 3.273 1.339 1.339 !weight 1.000 ! spec=Expt_19, no=940, id=501, vol=3.300369e+06
assign (resid 145 and name HN) (resid 146 and name HN) 3.158 1.247 1.247 !weight 1.000 ! spec=Expt_19, no=941, id=502, vol=4.089274e+06
assign (resid 145 and name HN) (resid 144 and name HA) 2.572 0.827 0.827 !weight 1.000 ! spec=Expt_19, no=942, id=503, vol=1.400921e+07
assign (resid 145 and name HN) (resid 133 and name HG22) 2.962 1.097 1.097 !weight 1.000 ! spec=Expt_19, no=945, id=504, vol=6.000577e+06
or (resid 145 and name HN) (resid 133 and name HG23)
or (resid 145 and name HN) (resid 133 and name HG21)
assign (resid 129 and name HN) (resid 166 and name HA) 3.224 1.299 1.299 !weight 1.000 ! spec=Expt_19, no=948, id=505, vol=3.609666e+06
assign (resid 85 and name HE1) (resid 85 and name HA) 3.829 1.833 1.833 !weight 1.000 ! spec=Expt_19, no=952, id=506, vol=1.286650e+06
assign (resid 156 and name HN) (resid 157 and name HA) 3.326 1.382 1.382 !weight 1.000 ! spec=Expt_19, no=959, id=509, vol=2.998236e+06
assign (resid 159 and name HN) (resid 169 and name HA) 3.304 1.365 1.365 !weight 1.000 ! spec=Expt_19, no=960, id=510, vol=3.116815e+06
assign (resid 168 and name HN) (resid 160 and name HA) 3.265 1.333 1.333 !weight 1.000 ! spec=Expt_19, no=961, id=511, vol=3.347421e+06
assign (resid 104 and name HN) (resid 104 and name HA) 2.511 0.788 0.788 !weight 1.000 ! spec=Expt_19, no=963, id=512, vol=1.619184e+07
assign (resid 103 and name HN) (resid 103 and name HA) 2.913 1.061 1.061 !weight 1.000 ! spec=Expt_19, no=966, id=513, vol=6.636700e+06
assign (resid 103 and name HN) (resid 103 and name HB2) 2.891 1.045 1.045 !weight 1.000 ! spec=Expt_19, no=967, id=514, vol=6.947932e+06
assign (resid 91 and name HN) (resid 90 and name HN) 2.634 0.867 0.867 !weight 1.000 ! spec=Expt_19, no=968, id=515, vol=1.213637e+07
assign (resid 91 and name HN) (resid 92 and name HN) 2.488 0.774 0.774 !weight 1.000 ! spec=Expt_19, no=969, id=516, vol=1.709040e+07
assign (resid 91 and name HN) (resid 89 and name HB2) 3.238 1.311 1.311 !weight 1.000 ! spec=Expt_19, no=971, id=517, vol=3.517019e+06
assign (resid 91 and name HN) (resid 89 and name HB1) 3.091 1.195 1.195 !weight 1.000 ! spec=Expt_19, no=972, id=518, vol=4.646657e+06
assign (resid 92 and name HN) (resid 91 and name HB2) 2.532 0.801 0.801 !weight 1.000 ! spec=Expt_19, no=973, id=519, vol=1.540398e+07
assign (resid 92 and name HN) (resid 91 and name HB1) 2.618 0.856 0.856 !weight 1.000 ! spec=Expt_19, no=974, id=520, vol=1.260851e+07
assign (resid 93 and name HN) (resid 92 and name HB1) 2.809 0.987 0.987 !weight 1.000 ! spec=Expt_19, no=976, id=521, vol=8.249463e+06
assign (resid 96 and name HN) (resid 95 and name HB2) 2.739 0.938 0.938 !weight 1.000 ! spec=Expt_19, no=978, id=522, vol=9.608581e+06
assign (resid 101 and name HN) (resid 100 and name HN) 2.818 0.992 0.992 !weight 1.000 ! spec=Expt_19, no=979, id=523, vol=8.104256e+06
assign (resid 100 and name HN) (resid 102 and name HN) 3.538 1.565 1.565 !weight 1.000 ! spec=Expt_19, no=980, id=524, vol=2.067997e+06
assign (resid 100 and name HN) (resid 103 and name HD2) 3.568 1.592 1.592 !weight 1.000 ! spec=Expt_19, no=981, id=525, vol=1.964629e+06
or (resid 100 and name HN) (resid 103 and name HD1)
assign (resid 101 and name HN) (resid 100 and name HA) 3.332 1.388 1.388 !weight 1.000 ! spec=Expt_19, no=982, id=526, vol=2.962780e+06
assign (resid 102 and name HN) (resid 100 and name HB) 3.078 1.184 1.184 !weight 1.000 ! spec=Expt_19, no=984, id=527, vol=4.768631e+06
assign (resid 114 and name HN) (resid 115 and name HN) 3.314 1.373 1.373 !weight 1.000 ! spec=Expt_19, no=985, id=528, vol=3.058848e+06
assign (resid 115 and name HN) (resid 116 and name HN) 3.433 1.473 1.473 !weight 1.000 ! spec=Expt_19, no=986, id=529, vol=2.476203e+06
assign (resid 105 and name HN) (resid 103 and name HN) 2.883 1.039 1.039 !weight 1.000 ! spec=Expt_19, no=1225, id=530, vol=7.064318e+06
assign (resid 105 and name HN) (resid 104 and name HA) 2.473 0.764 0.764 !weight 1.000 ! spec=Expt_19, no=1228, id=531, vol=1.774495e+07
assign (resid 110 and name HN) (resid 108 and name HA) 3.419 1.461 1.461 !weight 1.000 ! spec=Expt_19, no=1279, id=533, vol=2.540979e+06
assign (resid 110 and name HN) (resid 109 and name HA) 3.604 1.623 1.623 !weight 1.000 ! spec=Expt_19, no=1280, id=534, vol=1.852239e+06
assign (resid 107 and name HN) (resid 106 and name HB1) 2.832 1.002 1.002 !weight 1.000 ! spec=Expt_19, no=1333, id=535, vol=7.867891e+06
assign (resid 109 and name HN) (resid 106 and name HA) 2.903 1.054 1.054 !weight 1.000 ! spec=Expt_19, no=1372, id=538, vol=6.770942e+06
assign (resid 80 and name HN) (resid 81 and name HD21) 3.136 1.229 1.229 !weight 1.000 ! spec=Expt_19, no=1440, id=539, vol=4.263713e+06
or (resid 80 and name HN) (resid 81 and name HD22)
or (resid 80 and name HN) (resid 81 and name HD23)
assign (resid 79 and name HN) (resid 81 and name HB2) 3.166 1.253 1.253 !weight 1.000 ! spec=Expt_19, no=1499, id=541, vol=4.025828e+06
assign (resid 79 and name HN) (resid 80 and name HA) 3.121 1.217 1.217 !weight 1.000 ! spec=Expt_19, no=1502, id=542, vol=4.390224e+06
assign (resid 133 and name HN) (resid 138 and name HN) 5.534 3.829 3.829 !weight 1.000 ! spec=Expt_19, no=1508, id=544, vol=1.411511e+05
assign (resid 133 and name HN) (resid 132 and name HA) 4.412 2.434 2.434 !weight 1.000 ! spec=Expt_19, no=1511, id=546, vol=5.494933e+05
assign (resid 133 and name HN) (resid 131 and name HG) 4.128 2.130 2.130 !weight 1.000 ! spec=Expt_19, no=1514, id=547, vol=8.198521e+05
assign (resid 165 and name HN) (resid 163 and name HA) 4.516 2.550 2.550 !weight 1.000 ! spec=Expt_19, no=1520, id=548, vol=4.779311e+05
assign (resid 104 and name HN) (resid 103 and name HD2) 3.070 1.178 1.178 !weight 1.000 ! spec=Expt_19, no=1522, id=549, vol=4.844393e+06
or (resid 104 and name HN) (resid 103 and name HD1)
assign (resid 134 and name HN) (resid 135 and name HB1) 3.335 1.390 1.390 !weight 1.000 ! spec=Expt_19, no=1525, id=550, vol=2.949482e+06
assign (resid 111 and name HN) (resid 109 and name HD21) 3.379 1.427 1.427 !weight 1.000 ! spec=Expt_19, no=1526, id=551, vol=2.724375e+06
or (resid 111 and name HN) (resid 109 and name HD23)
or (resid 111 and name HN) (resid 109 and name HD22)
assign (resid 111 and name HN) (resid 109 and name HD12) 3.599 1.619 1.619 !weight 1.000 ! spec=Expt_19, no=1527, id=552, vol=1.865973e+06
or (resid 111 and name HN) (resid 109 and name HD11)
or (resid 111 and name HN) (resid 109 and name HD13)
assign (resid 178 and name HN) (resid 176 and name HB1) 4.196 2.201 2.201 !weight 1.000 ! spec=Expt_19, no=1531, id=553, vol=7.432626e+05
assign (resid 140 and name HN) (resid 141 and name HD21) 3.398 1.444 1.444 !weight 1.000 ! spec=Expt_19, no=1532, id=554, vol=2.633051e+06
or (resid 140 and name HN) (resid 141 and name HD23)
or (resid 140 and name HN) (resid 141 and name HD22)
assign (resid 95 and name HN) (resid 97 and name HN) 3.646 1.662 1.662 !weight 1.000 ! spec=Expt_19, no=1535, id=555, vol=1.726150e+06
assign (resid 162 and name HN) (resid 161 and name HB1) 3.416 1.459 1.459 !weight 1.000 ! spec=Expt_19, no=1536, id=556, vol=2.551513e+06
assign (resid 89 and name HN) (resid 93 and name HD12) 3.360 1.411 1.411 !weight 1.000 ! spec=Expt_19, no=1540, id=558, vol=2.819984e+06
or (resid 89 and name HN) (resid 93 and name HD13)
or (resid 89 and name HN) (resid 93 and name HD11)
assign (resid 105 and name HN) (resid 109 and name HN) 3.670 1.684 1.684 !weight 1.000 ! spec=Expt_19, no=1541, id=559, vol=1.659375e+06
assign (resid 151 and name HN) (resid 153 and name HN) 3.524 1.552 1.552 !weight 1.000 ! spec=Expt_19, no=2162, id=563, vol=2.117556e+06
assign (resid 111 and name HN) (resid 111 and name HB2) 2.639 0.871 0.871 !weight 1.000 ! spec=Expt_19, no=2177, id=570, vol=1.199822e+07
assign (resid 90 and name HN) (resid 90 and name HB1) 2.291 0.656 0.656 !weight 1.000 ! spec=Expt_19, no=2284, id=650, vol=2.804293e+07
assign (resid 92 and name HN) (resid 92 and name HD21) 2.889 1.043 1.043 !weight 1.000 ! spec=Expt_19, no=2294, id=658, vol=6.977081e+06
or (resid 92 and name HN) (resid 92 and name HD23)
or (resid 92 and name HN) (resid 92 and name HD22)
assign (resid 133 and name HN) (resid 133 and name HB) 2.539 0.806 0.806 !weight 1.000 ! spec=Expt_19, no=2460, id=809, vol=1.514588e+07
assign (resid 135 and name HN) (resid 135 and name HB2) 2.523 0.796 0.796 !weight 1.000 ! spec=Expt_19, no=2467, id=815, vol=1.571925e+07
assign (resid 173 and name HN) (resid 173 and name HG13) 2.381 0.708 0.708 !weight 1.000 ! spec=Expt_19, no=2528, id=862, vol=2.228625e+07
or (resid 173 and name HN) (resid 173 and name HG11)
or (resid 173 and name HN) (resid 173 and name HG12)
assign (resid 86 and name HN) (resid 86 and name HA) 2.081 0.542 0.542 !weight 1.000 ! spec=Expt_19, no=2580, id=901, vol=4.987539e+07
assign (resid 81 and name HN) (resid 81 and name HD11) 2.754 0.948 0.948 !weight 1.000 ! spec=Expt_19, no=2588, id=907, vol=9.286796e+06
or (resid 81 and name HN) (resid 81 and name HD13)
or (resid 81 and name HN) (resid 81 and name HD12)
assign (resid 178 and name HN) (resid 176 and name HA) 2.750 0.945 0.945 !weight 1.000 ! spec=Expt_19, no=2625, id=942, vol=9.382034e+06
assign (resid 179 and name HN) (resid 176 and name HA) 2.775 0.963 0.963 !weight 1.000 ! spec=Expt_19, no=2629, id=946, vol=8.878869e+06
assign (resid 180 and name HN) (resid 179 and name HA) 2.513 0.790 0.790 !weight 1.000 ! spec=Expt_19, no=2631, id=948, vol=1.608785e+07
assign (resid 161 and name HN) (resid 168 and name HN) 3.086 1.191 1.191 !weight 1.000 ! spec=Expt_19, no=2670, id=984, vol=4.691189e+06
assign (resid 164 and name HN) (resid 164 and name HD2) 2.623 0.860 0.860 !weight 1.000 ! spec=Expt_19, no=2684, id=998, vol=1.246520e+07
assign (resid 162 and name HN) (resid 164 and name HD2) 3.296 1.358 1.358 !weight 1.000 ! spec=Expt_19, no=2688, id=1002, vol=3.165231e+06
assign (resid 104 and name HN) (resid 103 and name HE1) 2.818 0.993 0.993 !weight 1.000 ! spec=Expt_19, no=2731, id=1044, vol=8.096516e+06
or (resid 104 and name HN) (resid 103 and name HE2)
assign (resid 133 and name HN) (resid 131 and name HA) 2.895 1.048 1.048 !weight 1.000 ! spec=Expt_19, no=2733, id=1046, vol=6.884217e+06
assign (resid 142 and name HN) (resid 141 and name HD11) 2.849 1.014 1.014 !weight 1.000 ! spec=Expt_19, no=2758, id=1070, vol=7.588546e+06
or (resid 142 and name HN) (resid 141 and name HD13)
or (resid 142 and name HN) (resid 141 and name HD12)
assign (resid 155 and name HN) (resid 152 and name HA) 2.498 0.780 0.780 !weight 1.000 ! spec=Expt_19, no=2771, id=1083, vol=1.668075e+07
assign (resid 171 and name HN) (resid 170 and name HN) 2.887 1.042 1.042 !weight 1.000 ! spec=Expt_19, no=2799, id=1110, vol=7.003078e+06
assign (resid 156 and name HN) (resid 157 and name HN) 2.618 0.857 0.857 !weight 1.000 ! spec=Expt_19, no=2837, id=1147, vol=1.258290e+07
assign (resid 151 and name HN) (resid 85 and name HZ3) 3.262 1.330 1.330 !weight 1.000 ! spec=Expt_19, no=2849, id=1159, vol=3.363684e+06
assign (resid 151 and name HN) (resid 93 and name HD12) 3.195 1.276 1.276 !weight 1.000 ! spec=Expt_19, no=2887, id=1197, vol=3.814247e+06
or (resid 151 and name HN) (resid 93 and name HD13)
or (resid 151 and name HN) (resid 93 and name HD11)
assign (resid 175 and name HN) (resid 176 and name HA) 3.537 1.564 1.564 !weight 1.000 ! spec=Expt_19, no=2914, id=1223, vol=2.069815e+06
assign (resid 102 and name HN) (resid 100 and name HA) 2.753 0.947 0.947 !weight 1.000 ! spec=Expt_19, no=2916, id=1225, vol=9.315836e+06
assign (resid 93 and name HN) (resid 90 and name HB2) 3.313 1.372 1.372 !weight 1.000 ! spec=Expt_19, no=2930, id=1239, vol=3.066872e+06
assign (resid 167 and name HN) (resid 127 and name HG21) 2.969 1.102 1.102 !weight 1.000 ! spec=Expt_19, no=2979, id=1288, vol=5.925447e+06
or (resid 167 and name HN) (resid 127 and name HG23)
or (resid 167 and name HN) (resid 127 and name HG22)
assign (resid 158 and name HN) (resid 156 and name HN) 3.291 1.354 1.354 !weight 1.000 ! spec=Expt_19, no=3050, id=1356, vol=3.193627e+06
assign (resid 153 and name HN) (resid 154 and name HD1) 3.067 1.175 1.175 !weight 1.000 ! spec=Expt_19, no=3062, id=1368, vol=4.877165e+06
or (resid 153 and name HN) (resid 154 and name HD2)
assign (resid 149 and name HN) (resid 85 and name HH2) 4.065 2.065 2.065 !weight 1.000 ! spec=Expt_19, no=3065, id=1371, vol=8.993932e+05
assign (resid 158 and name HN) (resid 156 and name HA) 3.521 1.549 1.549 !weight 1.000 ! spec=Expt_19, no=3068, id=1373, vol=2.130230e+06
assign (resid 96 and name HN) (resid 92 and name HD13) 2.983 1.113 1.113 !weight 1.000 ! spec=Expt_19, no=3085, id=1389, vol=5.752874e+06
or (resid 96 and name HN) (resid 92 and name HD12)
or (resid 96 and name HN) (resid 92 and name HD11)
assign (resid 80 and name HN) (resid 81 and name HB2) 2.856 1.019 1.019 !weight 1.000 ! spec=Expt_19, no=3122, id=1426, vol=7.475498e+06
assign (resid 156 and name HN) (resid 157 and name HB) 3.487 1.520 1.520 !weight 1.000 ! spec=Expt_19, no=3145, id=1449, vol=2.255150e+06
assign (resid 168 and name HN) (resid 160 and name HD21) 2.572 0.827 0.827 !weight 1.000 ! spec=Expt_19, no=3158, id=1462, vol=1.400479e+07
or (resid 168 and name HN) (resid 160 and name HD22)
or (resid 168 and name HN) (resid 160 and name HD23)
assign (resid 144 and name HN) (resid 143 and name HN) 2.834 1.004 1.004 !weight 1.000 ! spec=Expt_19, no=3161, id=1465, vol=7.822110e+06
assign (resid 144 and name HN) (resid 143 and name HA) 3.229 1.303 1.303 !weight 1.000 ! spec=Expt_19, no=3168, id=1472, vol=3.577820e+06
assign (resid 144 and name HN) (resid 142 and name HA) 3.174 1.260 1.260 !weight 1.000 ! spec=Expt_19, no=3169, id=1473, vol=3.962989e+06
assign (resid 144 and name HN) (resid 142 and name HG21) 2.879 1.036 1.036 !weight 1.000 ! spec=Expt_19, no=3174, id=1478, vol=7.119081e+06
or (resid 144 and name HN) (resid 142 and name HG23)
or (resid 144 and name HN) (resid 142 and name HG22)
assign (resid 147 and name HN) (resid 85 and name HE1) 3.692 1.704 1.704 !weight 1.000 ! spec=Expt_19, no=3206, id=1508, vol=1.601664e+06
assign (resid 85 and name HE1) (resid 86 and name HB1) 3.973 1.973 1.973 !weight 1.000 ! spec=Expt_19, no=3214, id=1516, vol=1.031726e+06
assign (resid 145 and name HE1) (resid 141 and name HB1) 4.690 2.749 2.749 !weight 1.000 ! spec=Expt_19, no=3217, id=1519, vol=3.811338e+05
assign (resid 91 and name HN) (resid 89 and name HA) 2.921 1.066 1.066 !weight 1.000 ! spec=Expt_19, no=3230, id=1532, vol=6.530918e+06
assign (resid 133 and name HN) (resid 132 and name HD21) 4.214 2.220 2.220 !weight 1.000 ! spec=Expt_19, no=3787, id=2077, vol=7.238826e+05
or (resid 133 and name HN) (resid 132 and name HD23)
or (resid 133 and name HN) (resid 132 and name HD22)
assign (resid 113 and name HB2) (resid 113 and name HB3) 1.290 0.208 0.208 !weight 1.000 ! spec=Expt_21, no=1, id=2729, vol=3.187810e+09
or (resid 113 and name HB2) (resid 113 and name HB1)
or (resid 113 and name HB2) (resid 113 and name HB3)
or (resid 113 and name HB3) (resid 113 and name HB1)
or (resid 113 and name HB2) (resid 113 and name HB1)
or (resid 113 and name HB3) (resid 113 and name HB1)
assign (resid 149 and name HB1) (resid 149 and name HB2) 1.405 0.247 0.247 !weight 1.000 ! spec=Expt_21, no=3, id=2730, vol=1.908297e+09
or (resid 149 and name HB1) (resid 149 and name HB3)
or (resid 149 and name HB1) (resid 149 and name HB2)
or (resid 149 and name HB2) (resid 149 and name HB3)
or (resid 149 and name HB1) (resid 149 and name HB3)
or (resid 149 and name HB2) (resid 149 and name HB3)
assign (resid 152 and name HD12) (resid 152 and name HD11) 1.154 0.166 0.166 !weight 1.000 ! spec=Expt_21, no=4, id=2731, vol=6.234764e+09
or (resid 152 and name HD12) (resid 152 and name HD13)
or (resid 152 and name HD12) (resid 152 and name HD11)
or (resid 152 and name HD11) (resid 152 and name HD13)
or (resid 152 and name HD12) (resid 152 and name HD13)
or (resid 152 and name HD11) (resid 152 and name HD13)
assign (resid 152 and name HD21) (resid 152 and name HD23) 1.069 0.143 0.143 !weight 1.000 ! spec=Expt_21, no=5, id=2732, vol=9.863973e+09
or (resid 152 and name HD21) (resid 152 and name HD22)
or (resid 152 and name HD21) (resid 152 and name HD23)
or (resid 152 and name HD23) (resid 152 and name HD22)
or (resid 152 and name HD21) (resid 152 and name HD22)
or (resid 152 and name HD23) (resid 152 and name HD22)
assign (resid 156 and name HG13) (resid 156 and name HG11) 1.182 0.175 0.175 !weight 1.000 ! spec=Expt_21, no=6, id=2733, vol=5.394081e+09
or (resid 156 and name HG13) (resid 156 and name HG12)
or (resid 156 and name HG13) (resid 156 and name HG11)
or (resid 156 and name HG11) (resid 156 and name HG12)
or (resid 156 and name HG13) (resid 156 and name HG12)
or (resid 156 and name HG11) (resid 156 and name HG12)
assign (resid 157 and name HG12) (resid 157 and name HG11) 1.200 0.180 0.180 !weight 1.000 ! spec=Expt_21, no=7, id=2734, vol=4.913201e+09
or (resid 157 and name HG12) (resid 157 and name HG13)
or (resid 157 and name HG12) (resid 157 and name HG11)
or (resid 157 and name HG11) (resid 157 and name HG13)
or (resid 157 and name HG12) (resid 157 and name HG13)
or (resid 157 and name HG11) (resid 157 and name HG13)
assign (resid 158 and name HD21) (resid 158 and name HD23) 1.530 0.293 0.293 !weight 1.000 ! spec=Expt_21, no=9, id=2735, vol=1.145536e+09
or (resid 158 and name HD21) (resid 158 and name HD22)
or (resid 158 and name HD21) (resid 158 and name HD23)
or (resid 158 and name HD23) (resid 158 and name HD22)
or (resid 158 and name HD21) (resid 158 and name HD22)
or (resid 158 and name HD23) (resid 158 and name HD22)
assign (resid 158 and name HD11) (resid 158 and name HD12) 1.612 0.325 0.325 !weight 1.000 ! spec=Expt_21, no=10, id=2736, vol=8.362561e+08
or (resid 158 and name HD11) (resid 158 and name HD13)
or (resid 158 and name HD11) (resid 158 and name HD12)
or (resid 158 and name HD12) (resid 158 and name HD13)
or (resid 158 and name HD11) (resid 158 and name HD13)
or (resid 158 and name HD12) (resid 158 and name HD13)
assign (resid 160 and name HD13) (resid 160 and name HD11) 1.469 0.270 0.270 !weight 1.000 ! spec=Expt_21, no=11, id=2737, vol=1.462517e+09
or (resid 160 and name HD13) (resid 160 and name HD12)
or (resid 160 and name HD13) (resid 160 and name HD11)
or (resid 160 and name HD11) (resid 160 and name HD12)
or (resid 160 and name HD13) (resid 160 and name HD12)
or (resid 160 and name HD11) (resid 160 and name HD12)
assign (resid 167 and name HG12) (resid 167 and name HG13) 1.441 0.260 0.260 !weight 1.000 ! spec=Expt_21, no=13, id=2738, vol=1.640480e+09
or (resid 167 and name HG12) (resid 167 and name HG11)
or (resid 167 and name HG12) (resid 167 and name HG13)
or (resid 167 and name HG13) (resid 167 and name HG11)
or (resid 167 and name HG12) (resid 167 and name HG11)
or (resid 167 and name HG13) (resid 167 and name HG11)
assign (resid 92 and name HD21) (resid 92 and name HD23) 1.213 0.184 0.184 !weight 1.000 ! spec=Expt_21, no=15, id=2739, vol=4.607509e+09
or (resid 92 and name HD21) (resid 92 and name HD22)
or (resid 92 and name HD21) (resid 92 and name HD23)
or (resid 92 and name HD23) (resid 92 and name HD22)
or (resid 92 and name HD21) (resid 92 and name HD22)
or (resid 92 and name HD23) (resid 92 and name HD22)
assign (resid 93 and name HG22) (resid 93 and name HG23) 1.449 0.262 0.262 !weight 1.000 ! spec=Expt_21, no=17, id=2740, vol=1.589834e+09
or (resid 93 and name HG22) (resid 93 and name HG21)
or (resid 93 and name HG22) (resid 93 and name HG23)
or (resid 93 and name HG23) (resid 93 and name HG21)
or (resid 93 and name HG22) (resid 93 and name HG21)
or (resid 93 and name HG23) (resid 93 and name HG21)
assign (resid 96 and name HD13) (resid 96 and name HD11) 1.467 0.269 0.269 !weight 1.000 ! spec=Expt_21, no=18, id=2741, vol=1.476910e+09
or (resid 96 and name HD13) (resid 96 and name HD12)
or (resid 96 and name HD13) (resid 96 and name HD11)
or (resid 96 and name HD11) (resid 96 and name HD12)
or (resid 96 and name HD13) (resid 96 and name HD12)
or (resid 96 and name HD11) (resid 96 and name HD12)
assign (resid 97 and name HG11) (resid 97 and name HG12) 1.416 0.251 0.251 !weight 1.000 ! spec=Expt_21, no=19, id=2742, vol=1.823002e+09
or (resid 97 and name HG11) (resid 97 and name HG13)
or (resid 97 and name HG11) (resid 97 and name HG12)
or (resid 97 and name HG12) (resid 97 and name HG13)
or (resid 97 and name HG11) (resid 97 and name HG13)
or (resid 97 and name HG12) (resid 97 and name HG13)
assign (resid 100 and name HD13) (resid 100 and name HD11) 1.346 0.227 0.227 !weight 1.000 ! spec=Expt_21, no=20, id=2743, vol=2.467982e+09
or (resid 100 and name HD13) (resid 100 and name HD12)
or (resid 100 and name HD13) (resid 100 and name HD11)
or (resid 100 and name HD11) (resid 100 and name HD12)
or (resid 100 and name HD13) (resid 100 and name HD12)
or (resid 100 and name HD11) (resid 100 and name HD12)
assign (resid 100 and name HG22) (resid 100 and name HG23) 1.454 0.264 0.264 !weight 1.000 ! spec=Expt_21, no=21, id=2744, vol=1.557319e+09
or (resid 100 and name HG22) (resid 100 and name HG21)
or (resid 100 and name HG22) (resid 100 and name HG23)
or (resid 100 and name HG23) (resid 100 and name HG21)
or (resid 100 and name HG22) (resid 100 and name HG21)
or (resid 100 and name HG23) (resid 100 and name HG21)
assign (resid 131 and name HD21) (resid 131 and name HD23) 1.428 0.255 0.255 !weight 1.000 ! spec=Expt_21, no=24, id=2745, vol=1.736247e+09
or (resid 131 and name HD21) (resid 131 and name HD22)
or (resid 131 and name HD21) (resid 131 and name HD23)
or (resid 131 and name HD23) (resid 131 and name HD22)
or (resid 131 and name HD21) (resid 131 and name HD22)
or (resid 131 and name HD23) (resid 131 and name HD22)
assign (resid 131 and name HD13) (resid 131 and name HD11) 1.090 0.148 0.148 !weight 1.000 ! spec=Expt_21, no=25, id=2746, vol=8.766470e+09
or (resid 131 and name HD13) (resid 131 and name HD12)
or (resid 131 and name HD13) (resid 131 and name HD11)
or (resid 131 and name HD11) (resid 131 and name HD12)
or (resid 131 and name HD13) (resid 131 and name HD12)
or (resid 131 and name HD11) (resid 131 and name HD12)
assign (resid 132 and name HD12) (resid 132 and name HD11) 1.371 0.235 0.235 !weight 1.000 ! spec=Expt_21, no=26, id=2747, vol=2.211341e+09
or (resid 132 and name HD12) (resid 132 and name HD13)
or (resid 132 and name HD12) (resid 132 and name HD11)
or (resid 132 and name HD11) (resid 132 and name HD13)
or (resid 132 and name HD12) (resid 132 and name HD13)
or (resid 132 and name HD11) (resid 132 and name HD13)
assign (resid 133 and name HG22) (resid 133 and name HG23) 1.480 0.274 0.274 !weight 1.000 ! spec=Expt_21, no=28, id=2748, vol=1.399785e+09
or (resid 133 and name HG22) (resid 133 and name HG21)
or (resid 133 and name HG22) (resid 133 and name HG23)
or (resid 133 and name HG23) (resid 133 and name HG21)
or (resid 133 and name HG22) (resid 133 and name HG21)
or (resid 133 and name HG23) (resid 133 and name HG21)
assign (resid 138 and name HG12) (resid 138 and name HG11) 1.243 0.193 0.193 !weight 1.000 ! spec=Expt_21, no=32, id=2749, vol=3.982775e+09
or (resid 138 and name HG12) (resid 138 and name HG13)
or (resid 138 and name HG12) (resid 138 and name HG11)
or (resid 138 and name HG11) (resid 138 and name HG13)
or (resid 138 and name HG12) (resid 138 and name HG13)
or (resid 138 and name HG11) (resid 138 and name HG13)
assign (resid 175 and name HD11) (resid 175 and name HD12) 1.080 0.146 0.146 !weight 1.000 ! spec=Expt_21, no=34, id=2750, vol=9.244329e+09
or (resid 175 and name HD11) (resid 175 and name HD13)
or (resid 175 and name HD11) (resid 175 and name HD12)
or (resid 175 and name HD12) (resid 175 and name HD13)
or (resid 175 and name HD11) (resid 175 and name HD13)
or (resid 175 and name HD12) (resid 175 and name HD13)
assign (resid 175 and name HD21) (resid 175 and name HD23) 1.140 0.163 0.163 !weight 1.000 ! spec=Expt_21, no=35, id=2751, vol=6.686641e+09
or (resid 175 and name HD21) (resid 175 and name HD22)
or (resid 175 and name HD21) (resid 175 and name HD23)
or (resid 175 and name HD23) (resid 175 and name HD22)
or (resid 175 and name HD21) (resid 175 and name HD22)
or (resid 175 and name HD23) (resid 175 and name HD22)
assign (resid 171 and name HG22) (resid 171 and name HG21) 1.240 0.192 0.192 !weight 1.000 ! spec=Expt_21, no=38, id=2753, vol=4.034604e+09
or (resid 171 and name HG22) (resid 171 and name HG23)
or (resid 171 and name HG22) (resid 171 and name HG21)
or (resid 171 and name HG21) (resid 171 and name HG23)
or (resid 171 and name HG22) (resid 171 and name HG23)
or (resid 171 and name HG21) (resid 171 and name HG23)
assign (resid 170 and name HG23) (resid 170 and name HG21) 1.244 0.194 0.194 !weight 1.000 ! spec=Expt_21, no=39, id=2754, vol=3.960044e+09
or (resid 170 and name HG23) (resid 170 and name HG22)
or (resid 170 and name HG23) (resid 170 and name HG21)
or (resid 170 and name HG21) (resid 170 and name HG22)
or (resid 170 and name HG23) (resid 170 and name HG22)
or (resid 170 and name HG21) (resid 170 and name HG22)
assign (resid 127 and name HG13) (resid 127 and name HG12) 1.393 0.242 0.242 !weight 1.000 ! spec=Expt_21, no=41, id=2755, vol=2.013615e+09
or (resid 127 and name HG13) (resid 127 and name HG11)
or (resid 127 and name HG13) (resid 127 and name HG12)
or (resid 127 and name HG12) (resid 127 and name HG11)
or (resid 127 and name HG13) (resid 127 and name HG11)
or (resid 127 and name HG12) (resid 127 and name HG11)
assign (resid 178 and name HB2) (resid 178 and name HA) 2.181 0.595 0.595 !weight 1.000 ! spec=Expt_21, no=49, id=2757, vol=1.363537e+08
assign (resid 92 and name HA) (resid 95 and name HN) 2.586 0.836 0.836 !weight 1.000 ! spec=Expt_21, no=53, id=2758, vol=4.911930e+07
assign (resid 92 and name HA) (resid 92 and name HB1) 2.292 0.657 0.657 !weight 1.000 ! spec=Expt_21, no=57, id=2759, vol=1.013388e+08
assign (resid 143 and name HB2) (resid 143 and name HA) 2.573 0.828 0.828 !weight 1.000 ! spec=Expt_21, no=64, id=2760, vol=5.058565e+07
assign (resid 143 and name HB2) (resid 143 and name HB1) 1.910 0.456 0.456 !weight 1.000 ! spec=Expt_21, no=68, id=2762, vol=3.025685e+08
assign (resid 180 and name HB2) (resid 180 and name HA) 2.814 0.990 0.990 !weight 1.000 ! spec=Expt_21, no=70, id=2763, vol=2.956700e+07
assign (resid 180 and name HB1) (resid 180 and name HB2) 1.678 0.352 0.352 !weight 1.000 ! spec=Expt_21, no=72, id=2764, vol=6.590149e+08
assign (resid 180 and name HB1) (resid 180 and name HA) 2.675 0.895 0.895 !weight 1.000 ! spec=Expt_21, no=76, id=2765, vol=4.007977e+07
assign (resid 180 and name HN) (resid 180 and name HB1) 2.863 1.025 1.025 !weight 1.000 ! spec=Expt_21, no=77, id=2766, vol=2.666273e+07
assign (resid 175 and name HB1) (resid 175 and name HA) 2.548 0.812 0.812 !weight 1.000 ! spec=Expt_21, no=87, id=2767, vol=5.364355e+07
assign (resid 175 and name HB2) (resid 175 and name HA) 2.467 0.761 0.761 !weight 1.000 ! spec=Expt_21, no=88, id=2768, vol=6.523458e+07
assign (resid 175 and name HB2) (resid 175 and name HG) 1.990 0.495 0.495 !weight 1.000 ! spec=Expt_21, no=95, id=2769, vol=2.363262e+08
assign (resid 175 and name HB1) (resid 175 and name HG) 2.007 0.503 0.503 !weight 1.000 ! spec=Expt_21, no=96, id=2770, vol=2.250664e+08
assign (resid 175 and name HD11) (resid 175 and name HA) 2.184 0.596 0.596 !weight 1.000 ! spec=Expt_21, no=103, id=2771, vol=1.354525e+08
or (resid 175 and name HD12) (resid 175 and name HA)
or (resid 175 and name HD13) (resid 175 and name HA)
assign (resid 175 and name HD21) (resid 175 and name HG) 2.141 0.573 0.573 !weight 1.000 ! spec=Expt_21, no=113, id=2772, vol=1.526243e+08
or (resid 175 and name HD23) (resid 175 and name HG)
or (resid 175 and name HD22) (resid 175 and name HG)
assign (resid 175 and name HD21) (resid 176 and name HB2) 2.831 1.002 1.002 !weight 1.000 ! spec=Expt_21, no=116, id=2773, vol=2.855760e+07
or (resid 175 and name HD23) (resid 176 and name HB2)
or (resid 175 and name HD22) (resid 176 and name HB2)
assign (resid 175 and name HG) (resid 175 and name HA) 3.216 1.293 1.293 !weight 1.000 ! spec=Expt_21, no=126, id=2775, vol=1.327438e+07
assign (resid 175 and name HN) (resid 175 and name HG) 3.032 1.149 1.149 !weight 1.000 ! spec=Expt_21, no=129, id=2776, vol=1.889692e+07
assign (resid 176 and name HB1) (resid 176 and name HB2) 2.404 0.722 0.722 !weight 1.000 ! spec=Expt_21, no=131, id=2778, vol=7.617708e+07
assign (resid 176 and name HB1) (resid 176 and name HA) 2.828 1.000 1.000 !weight 1.000 ! spec=Expt_21, no=135, id=2779, vol=2.873875e+07
assign (resid 176 and name HB1) (resid 179 and name HB2) 2.938 1.079 1.079 !weight 1.000 ! spec=Expt_21, no=138, id=2780, vol=2.282363e+07
assign (resid 176 and name HD2) (resid 176 and name HE2) 2.190 0.599 0.599 !weight 1.000 ! spec=Expt_21, no=139, id=2781, vol=1.332825e+08
or (resid 176 and name HD2) (resid 176 and name HE1)
or (resid 176 and name HD1) (resid 176 and name HE2)
or (resid 176 and name HD1) (resid 176 and name HE1)
assign (resid 176 and name HD2) (resid 176 and name HA) 2.923 1.068 1.068 !weight 1.000 ! spec=Expt_21, no=140, id=2782, vol=2.357704e+07
or (resid 176 and name HD1) (resid 176 and name HA)
assign (resid 176 and name HD2) (resid 175 and name HB2) 2.863 1.025 1.025 !weight 1.000 ! spec=Expt_21, no=142, id=2783, vol=2.667172e+07
or (resid 176 and name HD1) (resid 175 and name HB2)
assign (resid 160 and name HB1) (resid 160 and name HB2) 2.537 0.804 0.804 !weight 1.000 ! spec=Expt_21, no=144, id=2784, vol=5.514069e+07
assign (resid 160 and name HB1) (resid 160 and name HD21) 2.918 1.064 1.064 !weight 1.000 ! spec=Expt_21, no=146, id=2785, vol=2.379628e+07
or (resid 160 and name HB1) (resid 160 and name HD22)
or (resid 160 and name HB1) (resid 160 and name HD23)
assign (resid 160 and name HD13) (resid 160 and name HD21) 1.992 0.496 0.496 !weight 1.000 ! spec=Expt_21, no=149, id=2786, vol=2.353474e+08
or (resid 160 and name HD13) (resid 160 and name HD22)
or (resid 160 and name HD13) (resid 160 and name HD23)
or (resid 160 and name HD11) (resid 160 and name HD21)
or (resid 160 and name HD11) (resid 160 and name HD22)
or (resid 160 and name HD11) (resid 160 and name HD23)
or (resid 160 and name HD12) (resid 160 and name HD21)
or (resid 160 and name HD12) (resid 160 and name HD22)
or (resid 160 and name HD12) (resid 160 and name HD23)
assign (resid 160 and name HD13) (resid 160 and name HG) 2.096 0.549 0.549 !weight 1.000 ! spec=Expt_21, no=151, id=2787, vol=1.731989e+08
or (resid 160 and name HD11) (resid 160 and name HG)
or (resid 160 and name HD12) (resid 160 and name HG)
assign (resid 160 and name HG) (resid 160 and name HD21) 2.484 0.771 0.771 !weight 1.000 ! spec=Expt_21, no=165, id=2791, vol=6.252652e+07
or (resid 160 and name HG) (resid 160 and name HD22)
or (resid 160 and name HG) (resid 160 and name HD23)
assign (resid 160 and name HG) (resid 160 and name HA) 3.188 1.270 1.270 !weight 1.000 ! spec=Expt_21, no=168, id=2792, vol=1.399548e+07
assign (resid 161 and name HB2) (resid 161 and name HA) 2.970 1.103 1.103 !weight 1.000 ! spec=Expt_21, no=173, id=2793, vol=2.139964e+07
assign (resid 90 and name HB1) (resid 90 and name HA) 2.559 0.819 0.819 !weight 1.000 ! spec=Expt_21, no=183, id=2795, vol=5.233598e+07
assign (resid 164 and name HN) (resid 164 and name HA) 2.492 0.776 0.776 !weight 1.000 ! spec=Expt_21, no=201, id=2796, vol=6.137910e+07
assign (resid 164 and name HA) (resid 160 and name HB2) 2.628 0.864 0.864 !weight 1.000 ! spec=Expt_21, no=202, id=2797, vol=4.455518e+07
assign (resid 164 and name HA) (resid 160 and name HD13) 3.067 1.176 1.176 !weight 1.000 ! spec=Expt_21, no=203, id=2798, vol=1.765544e+07
or (resid 164 and name HA) (resid 160 and name HD11)
or (resid 164 and name HA) (resid 160 and name HD12)
assign (resid 164 and name HB2) (resid 164 and name HA) 2.922 1.067 1.067 !weight 1.000 ! spec=Expt_21, no=206, id=2799, vol=2.362216e+07
assign (resid 100 and name HD13) (resid 100 and name HG12) 2.147 0.576 0.576 !weight 1.000 ! spec=Expt_21, no=211, id=2801, vol=1.500520e+08
or (resid 100 and name HD11) (resid 100 and name HG12)
or (resid 100 and name HD12) (resid 100 and name HG12)
assign (resid 100 and name HD13) (resid 97 and name HA) 2.692 0.906 0.906 !weight 1.000 ! spec=Expt_21, no=213, id=2803, vol=3.858051e+07
or (resid 100 and name HD11) (resid 97 and name HA)
or (resid 100 and name HD12) (resid 97 and name HA)
assign (resid 100 and name HD13) (resid 100 and name HA) 2.533 0.802 0.802 !weight 1.000 ! spec=Expt_21, no=214, id=2804, vol=5.559146e+07
or (resid 100 and name HD11) (resid 100 and name HA)
or (resid 100 and name HD12) (resid 100 and name HA)
assign (resid 93 and name HD12) (resid 93 and name HB) 2.449 0.750 0.750 !weight 1.000 ! spec=Expt_21, no=218, id=2806, vol=6.806676e+07
or (resid 93 and name HD13) (resid 93 and name HB)
or (resid 93 and name HD11) (resid 93 and name HB)
assign (resid 93 and name HD12) (resid 90 and name HB2) 3.135 1.229 1.229 !weight 1.000 ! spec=Expt_21, no=220, id=2807, vol=1.547628e+07
or (resid 93 and name HD13) (resid 90 and name HB2)
or (resid 93 and name HD11) (resid 90 and name HB2)
assign (resid 93 and name HD12) (resid 93 and name HA) 3.319 1.377 1.377 !weight 1.000 ! spec=Expt_21, no=221, id=2808, vol=1.099956e+07
or (resid 93 and name HD13) (resid 93 and name HA)
or (resid 93 and name HD11) (resid 93 and name HA)
assign (resid 93 and name HD12) (resid 154 and name HB2) 3.002 1.126 1.126 !weight 1.000 ! spec=Expt_21, no=222, id=2809, vol=2.008439e+07
or (resid 93 and name HD13) (resid 154 and name HB2)
or (resid 93 and name HD11) (resid 154 and name HB2)
assign (resid 93 and name HD12) (resid 90 and name HA) 2.952 1.090 1.090 !weight 1.000 ! spec=Expt_21, no=223, id=2810, vol=2.218268e+07
or (resid 93 and name HD13) (resid 90 and name HA)
or (resid 93 and name HD11) (resid 90 and name HA)
assign (resid 93 and name HD12) (resid 89 and name HA) 3.277 1.342 1.342 !weight 1.000 ! spec=Expt_21, no=225, id=2811, vol=1.186696e+07
or (resid 93 and name HD13) (resid 89 and name HA)
or (resid 93 and name HD11) (resid 89 and name HA)
assign (resid 93 and name HG22) (resid 151 and name HB3) 2.058 0.530 0.530 !weight 1.000 ! spec=Expt_21, no=229, id=2812, vol=1.932799e+08
or (resid 93 and name HG22) (resid 151 and name HB2)
or (resid 93 and name HG22) (resid 151 and name HB1)
or (resid 93 and name HG23) (resid 151 and name HB3)
or (resid 93 and name HG23) (resid 151 and name HB2)
or (resid 93 and name HG23) (resid 151 and name HB1)
or (resid 93 and name HG21) (resid 151 and name HB3)
or (resid 93 and name HG21) (resid 151 and name HB2)
or (resid 93 and name HG21) (resid 151 and name HB1)
assign (resid 93 and name HG22) (resid 93 and name HB) 2.057 0.529 0.529 !weight 1.000 ! spec=Expt_21, no=230, id=2813, vol=1.937742e+08
or (resid 93 and name HG23) (resid 93 and name HB)
or (resid 93 and name HG21) (resid 93 and name HB)
assign (resid 93 and name HG22) (resid 97 and name HB) 2.556 0.817 0.817 !weight 1.000 ! spec=Expt_21, no=231, id=2814, vol=5.269292e+07
or (resid 93 and name HG23) (resid 97 and name HB)
or (resid 93 and name HG21) (resid 97 and name HB)
assign (resid 93 and name HG22) (resid 154 and name HB1) 2.617 0.856 0.856 !weight 1.000 ! spec=Expt_21, no=232, id=2815, vol=4.573611e+07
or (resid 93 and name HG23) (resid 154 and name HB1)
or (resid 93 and name HG21) (resid 154 and name HB1)
assign (resid 93 and name HG22) (resid 154 and name HB2) 2.686 0.902 0.902 !weight 1.000 ! spec=Expt_21, no=233, id=2816, vol=3.916888e+07
or (resid 93 and name HG23) (resid 154 and name HB2)
or (resid 93 and name HG21) (resid 154 and name HB2)
assign (resid 93 and name HG22) (resid 93 and name HA) 2.430 0.738 0.738 !weight 1.000 ! spec=Expt_21, no=234, id=2817, vol=7.128364e+07
or (resid 93 and name HG23) (resid 93 and name HA)
or (resid 93 and name HG21) (resid 93 and name HA)
assign (resid 93 and name HG22) (resid 90 and name HA) 2.678 0.896 0.896 !weight 1.000 ! spec=Expt_21, no=235, id=2818, vol=3.983739e+07
or (resid 93 and name HG23) (resid 90 and name HA)
or (resid 93 and name HG21) (resid 90 and name HA)
assign (resid 93 and name HG22) (resid 151 and name HA) 2.338 0.683 0.683 !weight 1.000 ! spec=Expt_21, no=236, id=2819, vol=9.006423e+07
or (resid 93 and name HG23) (resid 151 and name HA)
or (resid 93 and name HG21) (resid 151 and name HA)
assign (resid 93 and name HG22) (resid 154 and name HD1) 2.506 0.785 0.785 !weight 1.000 ! spec=Expt_21, no=237, id=2820, vol=5.929863e+07
or (resid 93 and name HG22) (resid 154 and name HD2)
or (resid 93 and name HG23) (resid 154 and name HD1)
or (resid 93 and name HG23) (resid 154 and name HD2)
or (resid 93 and name HG21) (resid 154 and name HD1)
or (resid 93 and name HG21) (resid 154 and name HD2)
assign (resid 94 and name HN) (resid 93 and name HG22) 2.702 0.913 0.913 !weight 1.000 ! spec=Expt_21, no=238, id=2821, vol=3.773747e+07
or (resid 94 and name HN) (resid 93 and name HG23)
or (resid 94 and name HN) (resid 93 and name HG21)
assign (resid 149 and name HB1) (resid 129 and name HG23) 2.191 0.600 0.600 !weight 1.000 ! spec=Expt_21, no=242, id=2823, vol=1.327450e+08
or (resid 149 and name HB1) (resid 129 and name HG21)
or (resid 149 and name HB1) (resid 129 and name HG22)
or (resid 149 and name HB2) (resid 129 and name HG23)
or (resid 149 and name HB2) (resid 129 and name HG21)
or (resid 149 and name HB2) (resid 129 and name HG22)
or (resid 149 and name HB3) (resid 129 and name HG23)
or (resid 149 and name HB3) (resid 129 and name HG21)
or (resid 149 and name HB3) (resid 129 and name HG22)
assign (resid 149 and name HB1) (resid 146 and name HA) 2.389 0.713 0.713 !weight 1.000 ! spec=Expt_21, no=247, id=2824, vol=7.907817e+07
or (resid 149 and name HB2) (resid 146 and name HA)
or (resid 149 and name HB3) (resid 146 and name HA)
assign (resid 149 and name HB1) (resid 149 and name HA) 2.140 0.572 0.572 !weight 1.000 ! spec=Expt_21, no=249, id=2825, vol=1.531864e+08
or (resid 149 and name HB2) (resid 149 and name HA)
or (resid 149 and name HB3) (resid 149 and name HA)
assign (resid 113 and name HB2) (resid 113 and name HA) 2.041 0.521 0.521 !weight 1.000 ! spec=Expt_21, no=250, id=2826, vol=2.034610e+08
or (resid 113 and name HB3) (resid 113 and name HA)
or (resid 113 and name HB1) (resid 113 and name HA)
assign (resid 149 and name HB1) (resid 150 and name HN) 2.389 0.713 0.713 !weight 1.000 ! spec=Expt_21, no=254, id=2827, vol=7.905687e+07
or (resid 149 and name HB2) (resid 150 and name HN)
or (resid 149 and name HB3) (resid 150 and name HN)
assign (resid 113 and name HN) (resid 113 and name HB2) 2.080 0.541 0.541 !weight 1.000 ! spec=Expt_21, no=255, id=2828, vol=1.812801e+08
or (resid 113 and name HN) (resid 113 and name HB3)
or (resid 113 and name HN) (resid 113 and name HB1)
assign (resid 149 and name HN) (resid 149 and name HB1) 2.269 0.644 0.644 !weight 1.000 ! spec=Expt_21, no=257, id=2829, vol=1.076928e+08
or (resid 149 and name HN) (resid 149 and name HB2)
or (resid 149 and name HN) (resid 149 and name HB3)
assign (resid 100 and name HG22) (resid 158 and name HD11) 2.082 0.542 0.542 !weight 1.000 ! spec=Expt_21, no=260, id=2830, vol=1.804910e+08
or (resid 100 and name HG22) (resid 158 and name HD12)
or (resid 100 and name HG22) (resid 158 and name HD13)
or (resid 100 and name HG23) (resid 158 and name HD11)
or (resid 100 and name HG23) (resid 158 and name HD12)
or (resid 100 and name HG23) (resid 158 and name HD13)
or (resid 100 and name HG21) (resid 158 and name HD11)
or (resid 100 and name HG21) (resid 158 and name HD12)
or (resid 100 and name HG21) (resid 158 and name HD13)
assign (resid 100 and name HG22) (resid 100 and name HG11) 2.183 0.596 0.596 !weight 1.000 ! spec=Expt_21, no=262, id=2831, vol=1.356736e+08
or (resid 100 and name HG23) (resid 100 and name HG11)
or (resid 100 and name HG21) (resid 100 and name HG11)
assign (resid 100 and name HG22) (resid 100 and name HB) 2.131 0.568 0.568 !weight 1.000 ! spec=Expt_21, no=263, id=2832, vol=1.568985e+08
or (resid 100 and name HG23) (resid 100 and name HB)
or (resid 100 and name HG21) (resid 100 and name HB)
assign (resid 100 and name HG22) (resid 100 and name HA) 2.388 0.713 0.713 !weight 1.000 ! spec=Expt_21, no=264, id=2833, vol=7.921407e+07
or (resid 100 and name HG23) (resid 100 and name HA)
or (resid 100 and name HG21) (resid 100 and name HA)
assign (resid 100 and name HG22) (resid 101 and name HA) 2.821 0.995 0.995 !weight 1.000 ! spec=Expt_21, no=265, id=2834, vol=2.916605e+07
or (resid 100 and name HG23) (resid 101 and name HA)
or (resid 100 and name HG21) (resid 101 and name HA)
assign (resid 100 and name HG22) (resid 103 and name HD2) 2.387 0.712 0.712 !weight 1.000 ! spec=Expt_21, no=267, id=2835, vol=7.950152e+07
or (resid 100 and name HG22) (resid 103 and name HD1)
or (resid 100 and name HG23) (resid 103 and name HD2)
or (resid 100 and name HG23) (resid 103 and name HD1)
or (resid 100 and name HG21) (resid 103 and name HD2)
or (resid 100 and name HG21) (resid 103 and name HD1)
assign (resid 100 and name HG22) (resid 158 and name HD21) 2.896 1.048 1.048 !weight 1.000 ! spec=Expt_21, no=269, id=2836, vol=2.491805e+07
or (resid 100 and name HG22) (resid 158 and name HD23)
or (resid 100 and name HG22) (resid 158 and name HD22)
or (resid 100 and name HG23) (resid 158 and name HD21)
or (resid 100 and name HG23) (resid 158 and name HD23)
or (resid 100 and name HG23) (resid 158 and name HD22)
or (resid 100 and name HG21) (resid 158 and name HD21)
or (resid 100 and name HG21) (resid 158 and name HD23)
or (resid 100 and name HG21) (resid 158 and name HD22)
assign (resid 151 and name HA) (resid 93 and name HD12) 2.482 0.770 0.770 !weight 1.000 ! spec=Expt_21, no=272, id=2837, vol=6.282194e+07
or (resid 151 and name HA) (resid 93 and name HD13)
or (resid 151 and name HA) (resid 93 and name HD11)
assign (resid 151 and name HA) (resid 154 and name HD1) 2.866 1.027 1.027 !weight 1.000 ! spec=Expt_21, no=274, id=2838, vol=2.650388e+07
or (resid 151 and name HA) (resid 154 and name HD2)
assign (resid 151 and name HB3) (resid 154 and name HD1) 2.966 1.100 1.100 !weight 1.000 ! spec=Expt_21, no=286, id=2839, vol=2.156175e+07
or (resid 151 and name HB3) (resid 154 and name HD2)
or (resid 151 and name HB2) (resid 154 and name HD1)
or (resid 151 and name HB2) (resid 154 and name HD2)
or (resid 151 and name HB1) (resid 154 and name HD1)
or (resid 151 and name HB1) (resid 154 and name HD2)
assign (resid 133 and name HG22) (resid 133 and name HA) 2.753 0.947 0.947 !weight 1.000 ! spec=Expt_21, no=287, id=2840, vol=3.374577e+07
or (resid 133 and name HG23) (resid 133 and name HA)
or (resid 133 and name HG21) (resid 133 and name HA)
assign (resid 133 and name HG22) (resid 133 and name HB) 2.357 0.695 0.695 !weight 1.000 ! spec=Expt_21, no=289, id=2841, vol=8.561480e+07
or (resid 133 and name HG23) (resid 133 and name HB)
or (resid 133 and name HG21) (resid 133 and name HB)
assign (resid 151 and name HB3) (resid 151 and name HA) 2.454 0.753 0.753 !weight 1.000 ! spec=Expt_21, no=296, id=2843, vol=6.727963e+07
or (resid 151 and name HB2) (resid 151 and name HA)
or (resid 151 and name HB1) (resid 151 and name HA)
assign (resid 151 and name HB3) (resid 93 and name HA) 2.500 0.781 0.781 !weight 1.000 ! spec=Expt_21, no=297, id=2844, vol=6.023245e+07
or (resid 151 and name HB2) (resid 93 and name HA)
or (resid 151 and name HB1) (resid 93 and name HA)
assign (resid 157 and name HG12) (resid 157 and name HB) 2.098 0.550 0.550 !weight 1.000 ! spec=Expt_21, no=305, id=2845, vol=1.725111e+08
or (resid 157 and name HG11) (resid 157 and name HB)
or (resid 157 and name HG13) (resid 157 and name HB)
assign (resid 133 and name HG22) (resid 149 and name HB1) 2.688 0.903 0.903 !weight 1.000 ! spec=Expt_21, no=309, id=2847, vol=3.894173e+07
or (resid 133 and name HG22) (resid 149 and name HB2)
or (resid 133 and name HG22) (resid 149 and name HB3)
or (resid 133 and name HG23) (resid 149 and name HB1)
or (resid 133 and name HG23) (resid 149 and name HB2)
or (resid 133 and name HG23) (resid 149 and name HB3)
or (resid 133 and name HG21) (resid 149 and name HB1)
or (resid 133 and name HG21) (resid 149 and name HB2)
or (resid 133 and name HG21) (resid 149 and name HB3)
assign (resid 151 and name HB3) (resid 92 and name HD13) 2.328 0.677 0.677 !weight 1.000 ! spec=Expt_21, no=311, id=2848, vol=9.231552e+07
or (resid 151 and name HB3) (resid 92 and name HD12)
or (resid 151 and name HB3) (resid 92 and name HD11)
or (resid 151 and name HB2) (resid 92 and name HD13)
or (resid 151 and name HB2) (resid 92 and name HD12)
or (resid 151 and name HB2) (resid 92 and name HD11)
or (resid 151 and name HB1) (resid 92 and name HD13)
or (resid 151 and name HB1) (resid 92 and name HD12)
or (resid 151 and name HB1) (resid 92 and name HD11)
assign (resid 167 and name HN) (resid 166 and name HA) 2.553 0.815 0.815 !weight 1.000 ! spec=Expt_21, no=318, id=2851, vol=5.310261e+07
assign (resid 158 and name HD21) (resid 158 and name HD11) 2.148 0.577 0.577 !weight 1.000 ! spec=Expt_21, no=321, id=2853, vol=1.496389e+08
or (resid 158 and name HD21) (resid 158 and name HD12)
or (resid 158 and name HD21) (resid 158 and name HD13)
or (resid 158 and name HD23) (resid 158 and name HD11)
or (resid 158 and name HD23) (resid 158 and name HD12)
or (resid 158 and name HD23) (resid 158 and name HD13)
or (resid 158 and name HD22) (resid 158 and name HD11)
or (resid 158 and name HD22) (resid 158 and name HD12)
or (resid 158 and name HD22) (resid 158 and name HD13)
assign (resid 158 and name HD21) (resid 157 and name HG12) 2.244 0.629 0.629 !weight 1.000 ! spec=Expt_21, no=322, id=2854, vol=1.152228e+08
or (resid 158 and name HD21) (resid 157 and name HG11)
or (resid 158 and name HD21) (resid 157 and name HG13)
or (resid 158 and name HD23) (resid 157 and name HG12)
or (resid 158 and name HD23) (resid 157 and name HG11)
or (resid 158 and name HD23) (resid 157 and name HG13)
or (resid 158 and name HD22) (resid 157 and name HG12)
or (resid 158 and name HD22) (resid 157 and name HG11)
or (resid 158 and name HD22) (resid 157 and name HG13)
assign (resid 158 and name HD21) (resid 158 and name HG) 2.276 0.648 0.648 !weight 1.000 ! spec=Expt_21, no=323, id=2855, vol=1.056931e+08
or (resid 158 and name HD23) (resid 158 and name HG)
or (resid 158 and name HD22) (resid 158 and name HG)
assign (resid 157 and name HG21) (resid 157 and name HB) 2.003 0.502 0.502 !weight 1.000 ! spec=Expt_21, no=330, id=2856, vol=2.273025e+08
or (resid 157 and name HG22) (resid 157 and name HB)
or (resid 157 and name HG23) (resid 157 and name HB)
assign (resid 158 and name HD21) (resid 158 and name HA) 2.403 0.722 0.722 !weight 1.000 ! spec=Expt_21, no=361, id=2858, vol=7.631832e+07
or (resid 158 and name HD23) (resid 158 and name HA)
or (resid 158 and name HD22) (resid 158 and name HA)
assign (resid 111 and name HA) (resid 111 and name HB2) 2.598 0.843 0.843 !weight 1.000 ! spec=Expt_21, no=373, id=2861, vol=4.782136e+07
assign (resid 141 and name HA) (resid 141 and name HD21) 2.256 0.636 0.636 !weight 1.000 ! spec=Expt_21, no=374, id=2862, vol=1.113338e+08
or (resid 141 and name HA) (resid 141 and name HD23)
or (resid 141 and name HA) (resid 141 and name HD22)
assign (resid 152 and name HD12) (resid 152 and name HA) 2.347 0.688 0.688 !weight 1.000 ! spec=Expt_21, no=381, id=2864, vol=8.795057e+07
or (resid 152 and name HD11) (resid 152 and name HA)
or (resid 152 and name HD13) (resid 152 and name HA)
assign (resid 149 and name HA) (resid 150 and name HN) 2.747 0.943 0.943 !weight 1.000 ! spec=Expt_21, no=396, id=2869, vol=3.422539e+07
assign (resid 131 and name HA) (resid 131 and name HG) 2.585 0.835 0.835 !weight 1.000 ! spec=Expt_21, no=398, id=2870, vol=4.924690e+07
assign (resid 131 and name HA) (resid 131 and name HB2) 2.593 0.840 0.840 !weight 1.000 ! spec=Expt_21, no=399, id=2871, vol=4.833495e+07
assign (resid 131 and name HA) (resid 131 and name HD13) 2.318 0.872 0.872 !weight 1.000 ! spec=Expt_21, no=400, id=2872, vol=9.474665e+07
or (resid 131 and name HA) (resid 131 and name HD11)
or (resid 131 and name HA) (resid 131 and name HD12)
assign (resid 132 and name HA) (resid 132 and name HD12) 2.720 0.925 0.925 !weight 1.000 ! spec=Expt_21, no=401, id=2873, vol=3.630766e+07
or (resid 132 and name HA) (resid 132 and name HD11)
or (resid 132 and name HA) (resid 132 and name HD13)
assign (resid 138 and name HG12) (resid 139 and name HN) 2.375 0.705 0.705 !weight 1.000 ! spec=Expt_21, no=410, id=2875, vol=8.179753e+07
or (resid 138 and name HG11) (resid 139 and name HN)
or (resid 138 and name HG13) (resid 139 and name HN)
assign (resid 131 and name HD13) (resid 132 and name HA) 2.704 0.914 0.914 !weight 1.000 ! spec=Expt_21, no=423, id=2877, vol=3.761253e+07
or (resid 131 and name HD11) (resid 132 and name HA)
or (resid 131 and name HD12) (resid 132 and name HA)
assign (resid 138 and name HG12) (resid 138 and name HB) 2.218 0.615 0.615 !weight 1.000 ! spec=Expt_21, no=424, id=2878, vol=1.234162e+08
or (resid 138 and name HG11) (resid 138 and name HB)
or (resid 138 and name HG13) (resid 138 and name HB)
assign (resid 131 and name HD13) (resid 131 and name HD21) 2.039 0.520 0.520 !weight 1.000 ! spec=Expt_21, no=428, id=2879, vol=2.046624e+08
or (resid 131 and name HD13) (resid 131 and name HD23)
or (resid 131 and name HD13) (resid 131 and name HD22)
or (resid 131 and name HD11) (resid 131 and name HD21)
or (resid 131 and name HD11) (resid 131 and name HD23)
or (resid 131 and name HD11) (resid 131 and name HD22)
or (resid 131 and name HD12) (resid 131 and name HD21)
or (resid 131 and name HD12) (resid 131 and name HD23)
or (resid 131 and name HD12) (resid 131 and name HD22)
assign (resid 146 and name HB2) (resid 146 and name HG2) 2.969 1.102 1.102 !weight 1.000 ! spec=Expt_21, no=435, id=2880, vol=2.147310e+07
assign (resid 131 and name HD21) (resid 132 and name HD12) 2.238 0.626 0.626 !weight 1.000 ! spec=Expt_21, no=438, id=2881, vol=1.169070e+08
or (resid 131 and name HD21) (resid 132 and name HD11)
or (resid 131 and name HD21) (resid 132 and name HD13)
or (resid 131 and name HD23) (resid 132 and name HD12)
or (resid 131 and name HD23) (resid 132 and name HD11)
or (resid 131 and name HD23) (resid 132 and name HD13)
or (resid 131 and name HD22) (resid 132 and name HD12)
or (resid 131 and name HD22) (resid 132 and name HD11)
or (resid 131 and name HD22) (resid 132 and name HD13)
assign (resid 131 and name HD21) (resid 131 and name HG) 2.285 0.652 0.652 !weight 1.000 ! spec=Expt_21, no=439, id=2882, vol=1.033175e+08
or (resid 131 and name HD23) (resid 131 and name HG)
or (resid 131 and name HD22) (resid 131 and name HG)
assign (resid 131 and name HD21) (resid 131 and name HB2) 2.465 0.759 0.759 !weight 1.000 ! spec=Expt_21, no=440, id=2883, vol=6.556849e+07
or (resid 131 and name HD23) (resid 131 and name HB2)
or (resid 131 and name HD22) (resid 131 and name HB2)
assign (resid 131 and name HD21) (resid 131 and name HB1) 2.501 0.782 0.782 !weight 1.000 ! spec=Expt_21, no=441, id=2884, vol=6.008617e+07
or (resid 131 and name HD23) (resid 131 and name HB1)
or (resid 131 and name HD22) (resid 131 and name HB1)
assign (resid 138 and name HG23) (resid 135 and name HD2) 2.871 1.031 1.031 !weight 1.000 ! spec=Expt_21, no=449, id=2886, vol=2.621352e+07
or (resid 138 and name HG23) (resid 135 and name HD1)
or (resid 138 and name HG22) (resid 135 and name HD2)
or (resid 138 and name HG22) (resid 135 and name HD1)
or (resid 138 and name HG21) (resid 135 and name HD2)
or (resid 138 and name HG21) (resid 135 and name HD1)
assign (resid 138 and name HG23) (resid 138 and name HA) 2.602 0.846 0.846 !weight 1.000 ! spec=Expt_21, no=450, id=2887, vol=4.739762e+07
or (resid 138 and name HG22) (resid 138 and name HA)
or (resid 138 and name HG21) (resid 138 and name HA)
assign (resid 138 and name HG23) (resid 135 and name HB1) 3.101 1.202 1.202 !weight 1.000 ! spec=Expt_21, no=452, id=2888, vol=1.653427e+07
or (resid 138 and name HG22) (resid 135 and name HB1)
or (resid 138 and name HG21) (resid 135 and name HB1)
assign (resid 138 and name HG23) (resid 138 and name HB) 2.571 0.826 0.826 !weight 1.000 ! spec=Expt_21, no=453, id=2889, vol=5.089653e+07
or (resid 138 and name HG22) (resid 138 and name HB)
or (resid 138 and name HG21) (resid 138 and name HB)
assign (resid 154 and name HN) (resid 154 and name HA) 2.685 0.901 0.901 !weight 1.000 ! spec=Expt_21, no=457, id=2890, vol=3.917618e+07
assign (resid 137 and name HN) (resid 137 and name HA) 2.700 0.911 0.911 !weight 1.000 ! spec=Expt_21, no=458, id=2891, vol=3.796850e+07
assign (resid 154 and name HA) (resid 154 and name HD1) 2.612 0.853 0.853 !weight 1.000 ! spec=Expt_21, no=461, id=2892, vol=4.627455e+07
or (resid 154 and name HA) (resid 154 and name HD2)
assign (resid 154 and name HA) (resid 154 and name HB2) 2.524 0.796 0.796 !weight 1.000 ! spec=Expt_21, no=462, id=2893, vol=5.684187e+07
assign (resid 154 and name HA) (resid 154 and name HB1) 2.556 0.817 0.817 !weight 1.000 ! spec=Expt_21, no=463, id=2894, vol=5.268255e+07
assign (resid 109 and name HA) (resid 112 and name HB1) 2.830 1.001 1.001 !weight 1.000 ! spec=Expt_21, no=465, id=2895, vol=2.860368e+07
assign (resid 109 and name HA) (resid 109 and name HG) 2.636 0.869 0.869 !weight 1.000 ! spec=Expt_21, no=469, id=2896, vol=4.377786e+07
assign (resid 109 and name HA) (resid 109 and name HD21) 2.548 0.812 0.812 !weight 1.000 ! spec=Expt_21, no=473, id=2897, vol=5.364472e+07
or (resid 109 and name HA) (resid 109 and name HD23)
or (resid 109 and name HA) (resid 109 and name HD22)
assign (resid 146 and name HA) (resid 146 and name HG2) 2.801 0.981 0.981 !weight 1.000 ! spec=Expt_21, no=475, id=2898, vol=3.042285e+07
assign (resid 146 and name HA) (resid 146 and name HB2) 2.887 1.042 1.042 !weight 1.000 ! spec=Expt_21, no=476, id=2899, vol=2.537984e+07
assign (resid 110 and name HA) (resid 110 and name HB2) 2.452 0.751 0.751 !weight 1.000 ! spec=Expt_21, no=478, id=2900, vol=6.762569e+07
assign (resid 110 and name HA) (resid 110 and name HB1) 2.472 0.764 0.764 !weight 1.000 ! spec=Expt_21, no=479, id=2901, vol=6.437046e+07
assign (resid 110 and name HA) (resid 110 and name HG2) 2.436 0.742 0.742 !weight 1.000 ! spec=Expt_21, no=481, id=2902, vol=7.032493e+07
assign (resid 110 and name HA) (resid 110 and name HG1) 2.595 0.842 0.842 !weight 1.000 ! spec=Expt_21, no=482, id=2903, vol=4.808413e+07
assign (resid 110 and name HA) (resid 111 and name HN) 2.990 1.117 1.117 !weight 1.000 ! spec=Expt_21, no=485, id=2904, vol=2.056636e+07
assign (resid 110 and name HN) (resid 110 and name HA) 2.544 0.809 0.809 !weight 1.000 ! spec=Expt_21, no=486, id=2905, vol=5.426226e+07
assign (resid 161 and name HN) (resid 167 and name HA) 2.805 0.983 0.983 !weight 1.000 ! spec=Expt_21, no=488, id=2906, vol=3.017254e+07
assign (resid 168 and name HN) (resid 167 and name HA) 2.660 0.885 0.885 !weight 1.000 ! spec=Expt_21, no=489, id=2907, vol=4.145940e+07
assign (resid 167 and name HA) (resid 167 and name HB) 2.579 0.831 0.831 !weight 1.000 ! spec=Expt_21, no=494, id=2908, vol=4.997010e+07
assign (resid 91 and name HN) (resid 91 and name HA) 2.437 0.742 0.742 !weight 1.000 ! spec=Expt_21, no=495, id=2909, vol=7.012269e+07
assign (resid 94 and name HN) (resid 94 and name HA) 2.430 0.738 0.738 !weight 1.000 ! spec=Expt_21, no=499, id=2910, vol=7.129297e+07
assign (resid 85 and name HA) (resid 86 and name HN) 2.140 0.573 0.573 !weight 1.000 ! spec=Expt_21, no=501, id=2911, vol=1.528161e+08
assign (resid 107 and name HA) (resid 107 and name HB1) 2.036 0.518 0.518 !weight 1.000 ! spec=Expt_21, no=507, id=2912, vol=2.059982e+08
assign (resid 107 and name HA) (resid 107 and name HB2) 2.362 0.698 0.698 !weight 1.000 ! spec=Expt_21, no=508, id=2913, vol=8.452529e+07
assign (resid 109 and name HG) (resid 109 and name HD21) 2.446 0.748 0.748 !weight 1.000 ! spec=Expt_21, no=511, id=2914, vol=6.856118e+07
or (resid 109 and name HG) (resid 109 and name HD23)
or (resid 109 and name HG) (resid 109 and name HD22)
assign (resid 131 and name HG) (resid 131 and name HD13) 2.476 0.767 0.767 !weight 1.000 ! spec=Expt_21, no=514, id=2915, vol=6.372546e+07
or (resid 131 and name HG) (resid 131 and name HD11)
or (resid 131 and name HG) (resid 131 and name HD12)
assign (resid 142 and name HA) (resid 142 and name HG21) 2.651 0.878 0.878 !weight 1.000 ! spec=Expt_21, no=522, id=2916, vol=4.236462e+07
or (resid 142 and name HA) (resid 142 and name HG23)
or (resid 142 and name HA) (resid 142 and name HG22)
assign (resid 96 and name HG) (resid 92 and name HD13) 2.400 0.720 0.720 !weight 1.000 ! spec=Expt_21, no=525, id=2917, vol=7.681650e+07
or (resid 96 and name HG) (resid 92 and name HD12)
or (resid 96 and name HG) (resid 92 and name HD11)
assign (resid 96 and name HG) (resid 96 and name HB1) 2.200 0.605 0.605 !weight 1.000 ! spec=Expt_21, no=526, id=2918, vol=1.294466e+08
assign (resid 132 and name HD12) (resid 132 and name HD21) 2.084 0.543 0.543 !weight 1.000 ! spec=Expt_21, no=527, id=2919, vol=1.791402e+08
or (resid 132 and name HD12) (resid 132 and name HD23)
or (resid 132 and name HD12) (resid 132 and name HD22)
or (resid 132 and name HD11) (resid 132 and name HD21)
or (resid 132 and name HD11) (resid 132 and name HD23)
or (resid 132 and name HD11) (resid 132 and name HD22)
or (resid 132 and name HD13) (resid 132 and name HD21)
or (resid 132 and name HD13) (resid 132 and name HD23)
or (resid 132 and name HD13) (resid 132 and name HD22)
assign (resid 132 and name HD12) (resid 131 and name HB2) 4.345 0.687 0.687 !weight 1.000 ! spec=Expt_21, no=529, id=2920, vol=8.832500e+07
or (resid 132 and name HD11) (resid 131 and name HB2)
or (resid 132 and name HD13) (resid 131 and name HB2)
assign (resid 158 and name HD11) (resid 103 and name HD2) 2.827 0.999 0.999 !weight 1.000 ! spec=Expt_21, no=536, id=2923, vol=2.878119e+07
or (resid 158 and name HD11) (resid 103 and name HD1)
or (resid 158 and name HD12) (resid 103 and name HD2)
or (resid 158 and name HD12) (resid 103 and name HD1)
or (resid 158 and name HD13) (resid 103 and name HD2)
or (resid 158 and name HD13) (resid 103 and name HD1)
assign (resid 157 and name HA) (resid 157 and name HG12) 2.154 0.580 0.580 !weight 1.000 ! spec=Expt_21, no=538, id=2924, vol=1.470720e+08
or (resid 157 and name HA) (resid 157 and name HG11)
or (resid 157 and name HA) (resid 157 and name HG13)
assign (resid 157 and name HA) (resid 157 and name HB) 2.423 0.734 0.734 !weight 1.000 ! spec=Expt_21, no=539, id=2925, vol=7.258786e+07
assign (resid 157 and name HN) (resid 157 and name HA) 2.488 0.774 0.774 !weight 1.000 ! spec=Expt_21, no=541, id=2926, vol=6.189761e+07
assign (resid 110 and name HB1) (resid 110 and name HG1) 2.701 0.912 0.912 !weight 1.000 ! spec=Expt_21, no=555, id=2927, vol=3.782014e+07
assign (resid 107 and name HB1) (resid 107 and name HB2) 2.173 0.590 0.590 !weight 1.000 ! spec=Expt_21, no=568, id=2929, vol=1.396145e+08
assign (resid 143 and name HB1) (resid 143 and name HA) 2.755 0.949 0.949 !weight 1.000 ! spec=Expt_21, no=575, id=2930, vol=3.360083e+07
assign (resid 100 and name HA) (resid 100 and name HG12) 2.781 0.967 0.967 !weight 1.000 ! spec=Expt_21, no=589, id=2931, vol=3.173415e+07
assign (resid 100 and name HA) (resid 100 and name HG11) 2.811 0.988 0.988 !weight 1.000 ! spec=Expt_21, no=590, id=2932, vol=2.975122e+07
assign (resid 100 and name HA) (resid 103 and name HD2) 2.999 1.124 1.124 !weight 1.000 ! spec=Expt_21, no=593, id=2933, vol=2.019169e+07
or (resid 100 and name HA) (resid 103 and name HD1)
assign (resid 94 and name HA) (resid 97 and name HB) 2.806 0.984 0.984 !weight 1.000 ! spec=Expt_21, no=600, id=2934, vol=3.010496e+07
assign (resid 97 and name HB) (resid 152 and name HD12) 2.181 0.595 0.595 !weight 1.000 ! spec=Expt_21, no=604, id=2935, vol=1.364064e+08
or (resid 97 and name HB) (resid 152 and name HD11)
or (resid 97 and name HB) (resid 152 and name HD13)
assign (resid 169 and name HB1) (resid 169 and name HB2) 2.399 0.720 0.720 !weight 1.000 ! spec=Expt_21, no=607, id=2936, vol=7.701865e+07
assign (resid 129 and name HB) (resid 129 and name HG23) 2.804 0.983 0.983 !weight 1.000 ! spec=Expt_21, no=610, id=2937, vol=3.021258e+07
or (resid 129 and name HB) (resid 129 and name HG21)
or (resid 129 and name HB) (resid 129 and name HG22)
assign (resid 129 and name HB) (resid 129 and name HA) 2.911 1.059 1.059 !weight 1.000 ! spec=Expt_21, no=615, id=2939, vol=2.415761e+07
assign (resid 169 and name HB2) (resid 169 and name HA) 2.735 0.935 0.935 !weight 1.000 ! spec=Expt_21, no=621, id=2941, vol=3.509837e+07
assign (resid 86 and name HB2) (resid 86 and name HB1) 1.872 0.438 0.438 !weight 1.000 ! spec=Expt_21, no=630, id=2943, vol=3.416696e+08
assign (resid 86 and name HB2) (resid 86 and name HA) 2.532 0.801 0.801 !weight 1.000 ! spec=Expt_21, no=635, id=2944, vol=5.574440e+07
assign (resid 86 and name HB1) (resid 86 and name HA) 2.617 0.856 0.856 !weight 1.000 ! spec=Expt_21, no=636, id=2945, vol=4.569068e+07
assign (resid 157 and name HN) (resid 157 and name HB) 2.578 0.830 0.830 !weight 1.000 ! spec=Expt_21, no=639, id=2946, vol=5.010757e+07
assign (resid 170 and name HB) (resid 170 and name HG23) 2.028 0.514 0.514 !weight 1.000 ! spec=Expt_21, no=643, id=2947, vol=2.109934e+08
or (resid 170 and name HB) (resid 170 and name HG21)
or (resid 170 and name HB) (resid 170 and name HG22)
assign (resid 152 and name HD12) (resid 97 and name HA) 2.170 0.589 0.589 !weight 1.000 ! spec=Expt_21, no=644, id=2948, vol=1.405586e+08
or (resid 152 and name HD11) (resid 97 and name HA)
or (resid 152 and name HD13) (resid 97 and name HA)
assign (resid 97 and name HA) (resid 97 and name HB) 2.689 0.904 0.904 !weight 1.000 ! spec=Expt_21, no=645, id=2949, vol=3.887692e+07
assign (resid 170 and name HB) (resid 170 and name HA) 2.258 0.637 0.637 !weight 1.000 ! spec=Expt_21, no=649, id=2950, vol=1.107984e+08
assign (resid 127 and name HB) (resid 127 and name HG21) 2.338 0.683 0.683 !weight 1.000 ! spec=Expt_21, no=654, id=2951, vol=8.999532e+07
or (resid 127 and name HB) (resid 127 and name HG23)
or (resid 127 and name HB) (resid 127 and name HG22)
assign (resid 127 and name HB) (resid 127 and name HG13) 2.439 0.744 0.744 !weight 1.000 ! spec=Expt_21, no=655, id=2952, vol=6.976862e+07
or (resid 127 and name HB) (resid 127 and name HG12)
or (resid 127 and name HB) (resid 127 and name HG11)
assign (resid 133 and name HB) (resid 133 and name HA) 2.905 1.055 1.055 !weight 1.000 ! spec=Expt_21, no=660, id=2953, vol=2.443126e+07
assign (resid 154 and name HB2) (resid 154 and name HB1) 2.376 0.706 0.706 !weight 1.000 ! spec=Expt_21, no=670, id=2954, vol=8.164855e+07
assign (resid 158 and name HD11) (resid 100 and name HB) 2.874 1.032 1.032 !weight 1.000 ! spec=Expt_21, no=674, id=2956, vol=2.609029e+07
or (resid 158 and name HD12) (resid 100 and name HB)
or (resid 158 and name HD13) (resid 100 and name HB)
assign (resid 154 and name HB2) (resid 154 and name HD1) 2.616 0.855 0.855 !weight 1.000 ! spec=Expt_21, no=679, id=2957, vol=4.585390e+07
or (resid 154 and name HB2) (resid 154 and name HD2)
assign (resid 103 and name HB1) (resid 103 and name HD2) 2.660 0.884 0.884 !weight 1.000 ! spec=Expt_21, no=680, id=2958, vol=4.151416e+07
or (resid 103 and name HB1) (resid 103 and name HD1)
assign (resid 102 and name HB2) (resid 102 and name HB1) 2.366 0.700 0.700 !weight 1.000 ! spec=Expt_21, no=683, id=2959, vol=8.384023e+07
assign (resid 102 and name HB2) (resid 102 and name HA) 2.762 0.953 0.953 !weight 1.000 ! spec=Expt_21, no=685, id=2960, vol=3.312284e+07
assign (resid 114 and name HB1) (resid 114 and name HA) 3.001 1.126 1.126 !weight 1.000 ! spec=Expt_21, no=692, id=2961, vol=2.011919e+07
assign (resid 114 and name HB2) (resid 114 and name HA) 3.110 1.209 1.209 !weight 1.000 ! spec=Expt_21, no=693, id=2962, vol=1.623102e+07
assign (resid 114 and name HB2) (resid 114 and name HB1) 2.563 0.821 0.821 !weight 1.000 ! spec=Expt_21, no=694, id=2963, vol=5.182228e+07
assign (resid 114 and name HB1) (resid 115 and name HN) 6.793 5.769 5.769 !weight 1.000 ! spec=Expt_21, no=701, id=2964, vol=1.495059e+05
assign (resid 93 and name HB) (resid 90 and name HA) 3.017 1.138 1.138 !weight 1.000 ! spec=Expt_21, no=704, id=2965, vol=1.948852e+07
assign (resid 112 and name HB1) (resid 112 and name HA) 2.602 0.847 0.847 !weight 1.000 ! spec=Expt_21, no=706, id=2966, vol=4.729293e+07
assign (resid 106 and name HB2) (resid 106 and name HA) 2.669 0.890 0.890 !weight 1.000 ! spec=Expt_21, no=707, id=2967, vol=4.068282e+07
assign (resid 112 and name HB2) (resid 112 and name HA) 2.767 0.957 0.957 !weight 1.000 ! spec=Expt_21, no=709, id=2968, vol=3.275378e+07
assign (resid 112 and name HB1) (resid 112 and name HB2) 2.278 0.649 0.649 !weight 1.000 ! spec=Expt_21, no=711, id=2969, vol=1.050501e+08
assign (resid 98 and name HB1) (resid 98 and name HB2) 2.058 0.530 0.530 !weight 1.000 ! spec=Expt_21, no=716, id=2970, vol=1.932720e+08
assign (resid 92 and name HB2) (resid 92 and name HB1) 2.481 0.769 0.769 !weight 1.000 ! spec=Expt_21, no=721, id=2971, vol=6.304379e+07
assign (resid 108 and name HB2) (resid 108 and name HB1) 2.547 0.811 0.811 !weight 1.000 ! spec=Expt_21, no=722, id=2972, vol=5.383081e+07
assign (resid 104 and name HB2) (resid 104 and name HB1) 2.504 0.784 0.784 !weight 1.000 ! spec=Expt_21, no=723, id=2973, vol=5.961106e+07
assign (resid 98 and name HB1) (resid 95 and name HA) 2.909 1.058 1.058 !weight 1.000 ! spec=Expt_21, no=724, id=2974, vol=2.424161e+07
assign (resid 108 and name HB2) (resid 108 and name HA) 2.697 0.909 0.909 !weight 1.000 ! spec=Expt_21, no=725, id=2975, vol=3.816798e+07
assign (resid 98 and name HB2) (resid 98 and name HA) 2.664 0.887 0.887 !weight 1.000 ! spec=Expt_21, no=726, id=2976, vol=4.108066e+07
assign (resid 108 and name HB1) (resid 103 and name HA) 2.963 1.098 1.098 !weight 1.000 ! spec=Expt_21, no=727, id=2977, vol=2.169794e+07
assign (resid 146 and name HD1) (resid 146 and name HD2) 2.418 0.731 0.731 !weight 1.000 ! spec=Expt_21, no=741, id=2978, vol=7.345664e+07
assign (resid 96 and name HB1) (resid 96 and name HB2) 2.867 1.028 1.028 !weight 1.000 ! spec=Expt_21, no=743, id=2979, vol=2.643307e+07
assign (resid 132 and name HB2) (resid 132 and name HD21) 2.455 0.754 0.754 !weight 1.000 ! spec=Expt_21, no=748, id=2980, vol=6.704132e+07
or (resid 132 and name HB2) (resid 132 and name HD23)
or (resid 132 and name HB2) (resid 132 and name HD22)
assign (resid 81 and name HB1) (resid 81 and name HD11) 2.400 0.720 0.720 !weight 1.000 ! spec=Expt_21, no=750, id=2982, vol=7.695525e+07
or (resid 81 and name HB1) (resid 81 and name HD13)
or (resid 81 and name HB1) (resid 81 and name HD12)
assign (resid 81 and name HB2) (resid 81 and name HB1) 1.638 0.335 0.335 !weight 1.000 ! spec=Expt_21, no=751, id=2983, vol=7.612984e+08
assign (resid 158 and name HB1) (resid 158 and name HB2) 2.555 0.816 0.816 !weight 1.000 ! spec=Expt_21, no=753, id=2984, vol=5.281535e+07
assign (resid 158 and name HB1) (resid 158 and name HG) 2.402 0.721 0.721 !weight 1.000 ! spec=Expt_21, no=754, id=2985, vol=7.641560e+07
assign (resid 96 and name HB2) (resid 96 and name HG) 2.916 1.063 1.063 !weight 1.000 ! spec=Expt_21, no=755, id=2986, vol=2.392416e+07
assign (resid 81 and name HB2) (resid 81 and name HA) 2.780 0.966 0.966 !weight 1.000 ! spec=Expt_21, no=759, id=2987, vol=3.181792e+07
assign (resid 81 and name HB1) (resid 81 and name HA) 2.684 0.901 0.901 !weight 1.000 ! spec=Expt_21, no=760, id=2988, vol=3.929186e+07
assign (resid 145 and name HH2) (resid 145 and name HZ2) 2.803 0.982 0.982 !weight 1.000 ! spec=Expt_21, no=770, id=2990, vol=3.030965e+07
assign (resid 104 and name HA) (resid 104 and name HB1) 2.678 0.897 0.897 !weight 1.000 ! spec=Expt_21, no=777, id=2992, vol=3.982891e+07
assign (resid 104 and name HA) (resid 104 and name HB2) 2.979 1.110 1.110 !weight 1.000 ! spec=Expt_21, no=778, id=2993, vol=2.100740e+07
assign (resid 104 and name HA) (resid 109 and name HD21) 2.269 0.644 0.644 !weight 1.000 ! spec=Expt_21, no=783, id=2994, vol=1.076823e+08
or (resid 104 and name HA) (resid 109 and name HD23)
or (resid 104 and name HA) (resid 109 and name HD22)
assign (resid 90 and name HB1) (resid 90 and name HB2) 1.761 0.388 0.388 !weight 1.000 ! spec=Expt_21, no=833, id=2997, vol=4.924957e+08
assign (resid 105 and name HN) (resid 102 and name HA) 2.778 0.965 0.965 !weight 1.000 ! spec=Expt_21, no=952, id=2999, vol=3.197028e+07
assign (resid 175 and name HD11) (resid 176 and name HE2) 2.748 0.944 0.944 !weight 1.000 ! spec=Expt_21, no=1620, id=3107, vol=3.411344e+07
or (resid 175 and name HD11) (resid 176 and name HE1)
or (resid 175 and name HD12) (resid 176 and name HE2)
or (resid 175 and name HD12) (resid 176 and name HE1)
or (resid 175 and name HD13) (resid 176 and name HE2)
or (resid 175 and name HD13) (resid 176 and name HE1)
assign (resid 160 and name HN) (resid 160 and name HD13) 3.704 0.914 0.914 !weight 1.000 ! spec=Expt_21, no=1676, id=3159, vol=3.760793e+07
or (resid 160 and name HN) (resid 160 and name HD11)
or (resid 160 and name HN) (resid 160 and name HD12)
assign (resid 100 and name HD13) (resid 103 and name HD2) 2.664 0.887 0.887 !weight 1.000 ! spec=Expt_21, no=1763, id=3215, vol=4.113279e+07
or (resid 100 and name HD13) (resid 103 and name HD1)
or (resid 100 and name HD11) (resid 103 and name HD2)
or (resid 100 and name HD11) (resid 103 and name HD1)
or (resid 100 and name HD12) (resid 103 and name HD2)
or (resid 100 and name HD12) (resid 103 and name HD1)
assign (resid 100 and name HN) (resid 100 and name HG22) 2.701 0.912 0.912 !weight 1.000 ! spec=Expt_21, no=1848, id=3268, vol=3.781732e+07
or (resid 100 and name HN) (resid 100 and name HG23)
or (resid 100 and name HN) (resid 100 and name HG21)
assign (resid 151 and name HB3) (resid 96 and name HB2) 2.486 0.772 0.772 !weight 1.000 ! spec=Expt_21, no=1900, id=3310, vol=6.231604e+07
or (resid 151 and name HB2) (resid 96 and name HB2)
or (resid 151 and name HB1) (resid 96 and name HB2)
assign (resid 157 and name HG12) (resid 158 and name HD11) 2.422 0.733 0.733 !weight 1.000 ! spec=Expt_21, no=1903, id=3313, vol=7.279662e+07
or (resid 157 and name HG12) (resid 158 and name HD12)
or (resid 157 and name HG12) (resid 158 and name HD13)
or (resid 157 and name HG11) (resid 158 and name HD11)
or (resid 157 and name HG11) (resid 158 and name HD12)
or (resid 157 and name HG11) (resid 158 and name HD13)
or (resid 157 and name HG13) (resid 158 and name HD11)
or (resid 157 and name HG13) (resid 158 and name HD12)
or (resid 157 and name HG13) (resid 158 and name HD13)
assign (resid 170 and name HG23) (resid 170 and name HA) 2.293 0.657 0.657 !weight 1.000 ! spec=Expt_21, no=1940, id=3349, vol=1.011302e+08
or (resid 170 and name HG21) (resid 170 and name HA)
or (resid 170 and name HG22) (resid 170 and name HA)
assign (resid 157 and name HG21) (resid 157 and name HA) 2.150 0.578 0.578 !weight 1.000 ! spec=Expt_21, no=1948, id=3357, vol=1.488294e+08
or (resid 157 and name HG22) (resid 157 and name HA)
or (resid 157 and name HG23) (resid 157 and name HA)
assign (resid 157 and name HN) (resid 158 and name HD21) 2.781 0.967 0.967 !weight 1.000 ! spec=Expt_21, no=1962, id=3368, vol=3.178250e+07
or (resid 157 and name HN) (resid 158 and name HD23)
or (resid 157 and name HN) (resid 158 and name HD22)
assign (resid 159 and name HN) (resid 158 and name HD21) 3.951 1.088 1.088 !weight 1.000 ! spec=Expt_21, no=1965, id=3371, vol=2.225847e+07
or (resid 159 and name HN) (resid 158 and name HD23)
or (resid 159 and name HN) (resid 158 and name HD22)
assign (resid 132 and name HA) (resid 135 and name HB2) 3.260 1.329 1.329 !weight 1.000 ! spec=Expt_21, no=2030, id=3403, vol=1.223958e+07
assign (resid 160 and name HD21) (resid 167 and name HA) 2.377 0.706 0.706 !weight 1.000 ! spec=Expt_21, no=2154, id=3492, vol=8.146560e+07
or (resid 160 and name HD22) (resid 167 and name HA)
or (resid 160 and name HD23) (resid 167 and name HA)
assign (resid 158 and name HD21) (resid 101 and name HA) 2.961 1.096 1.096 !weight 1.000 ! spec=Expt_21, no=2218, id=3524, vol=2.178275e+07
or (resid 158 and name HD23) (resid 101 and name HA)
or (resid 158 and name HD22) (resid 101 and name HA)
assign (resid 100 and name HG11) (resid 100 and name HG12) 2.351 0.691 0.691 !weight 1.000 ! spec=Expt_21, no=2295, id=3573, vol=8.696252e+07
assign (resid 85 and name HH2) (resid 146 and name HG1) 3.251 1.321 1.321 !weight 1.000 ! spec=Expt_21, no=2590, id=3774, vol=1.243649e+07
assign (resid 104 and name HA) (resid 109 and name HD12) 2.698 0.910 0.910 !weight 1.000 ! spec=Expt_21, no=2599, id=3782, vol=3.813687e+07
or (resid 104 and name HA) (resid 109 and name HD11)
or (resid 104 and name HA) (resid 109 and name HD13)
assign (resid 127 and name HG13) (resid 167 and name HG12) 1.660 0.345 0.345 !weight 1.000 ! spec=Expt_21, no=2621, id=3791, vol=7.010857e+08
or (resid 127 and name HG13) (resid 167 and name HG13)
or (resid 127 and name HG13) (resid 167 and name HG11)
or (resid 127 and name HG12) (resid 167 and name HG12)
or (resid 127 and name HG12) (resid 167 and name HG13)
or (resid 127 and name HG12) (resid 167 and name HG11)
or (resid 127 and name HG11) (resid 167 and name HG12)
or (resid 127 and name HG11) (resid 167 and name HG13)
or (resid 127 and name HG11) (resid 167 and name HG11)
assign (resid 175 and name HD21) (resid 175 and name HA) 3.154 0.580 0.580 !weight 1.000 ! spec=Expt_21, no=2734, id=3904, vol=1.471021e+08
or (resid 175 and name HD23) (resid 175 and name HA)
or (resid 175 and name HD22) (resid 175 and name HA)
assign (resid 103 and name HB1) (resid 102 and name HD2) 2.660 0.884 0.884 !weight 1.000 ! spec=Expt_21, no=2818, id=3988, vol=4.151416e+07
or (resid 103 and name HB1) (resid 102 and name HD1)
assign (resid 151 and name HB3) (resid 151 and name HB2) 1.545 0.298 0.298 !weight 1.000 ! spec=Expt_22, no=2, id=4326, vol=1.475199e+09
or (resid 151 and name HB3) (resid 151 and name HB1)
or (resid 151 and name HB3) (resid 151 and name HB2)
or (resid 151 and name HB2) (resid 151 and name HB1)
or (resid 151 and name HB3) (resid 151 and name HB1)
or (resid 151 and name HB2) (resid 151 and name HB1)
assign (resid 157 and name HG21) (resid 157 and name HG22) 1.185 0.175 0.175 !weight 1.000 ! spec=Expt_22, no=10, id=4327, vol=7.244391e+09
or (resid 157 and name HG21) (resid 157 and name HG23)
or (resid 157 and name HG21) (resid 157 and name HG22)
or (resid 157 and name HG22) (resid 157 and name HG23)
or (resid 157 and name HG21) (resid 157 and name HG23)
or (resid 157 and name HG22) (resid 157 and name HG23)
assign (resid 160 and name HD21) (resid 160 and name HD22) 1.197 0.179 0.179 !weight 1.000 ! spec=Expt_22, no=13, id=4328, vol=6.808472e+09
or (resid 160 and name HD21) (resid 160 and name HD23)
or (resid 160 and name HD21) (resid 160 and name HD22)
or (resid 160 and name HD22) (resid 160 and name HD23)
or (resid 160 and name HD21) (resid 160 and name HD23)
or (resid 160 and name HD22) (resid 160 and name HD23)
assign (resid 92 and name HD13) (resid 92 and name HD12) 1.212 0.183 0.183 !weight 1.000 ! spec=Expt_22, no=17, id=4329, vol=6.336154e+09
or (resid 92 and name HD13) (resid 92 and name HD11)
or (resid 92 and name HD13) (resid 92 and name HD12)
or (resid 92 and name HD12) (resid 92 and name HD11)
or (resid 92 and name HD13) (resid 92 and name HD11)
or (resid 92 and name HD12) (resid 92 and name HD11)
assign (resid 93 and name HD12) (resid 93 and name HD13) 1.574 0.310 0.310 !weight 1.000 ! spec=Expt_22, no=18, id=4330, vol=1.317183e+09
or (resid 93 and name HD12) (resid 93 and name HD11)
or (resid 93 and name HD12) (resid 93 and name HD13)
or (resid 93 and name HD13) (resid 93 and name HD11)
or (resid 93 and name HD12) (resid 93 and name HD11)
or (resid 93 and name HD13) (resid 93 and name HD11)
assign (resid 132 and name HD21) (resid 132 and name HD23) 1.479 0.273 0.273 !weight 1.000 ! spec=Expt_22, no=26, id=4331, vol=1.913293e+09
or (resid 132 and name HD21) (resid 132 and name HD22)
or (resid 132 and name HD21) (resid 132 and name HD23)
or (resid 132 and name HD23) (resid 132 and name HD22)
or (resid 132 and name HD21) (resid 132 and name HD22)
or (resid 132 and name HD23) (resid 132 and name HD22)
assign (resid 138 and name HG23) (resid 138 and name HG22) 1.337 0.223 0.223 !weight 1.000 ! spec=Expt_22, no=30, id=4332, vol=3.513248e+09
or (resid 138 and name HG23) (resid 138 and name HG21)
or (resid 138 and name HG23) (resid 138 and name HG22)
or (resid 138 and name HG22) (resid 138 and name HG21)
or (resid 138 and name HG23) (resid 138 and name HG21)
or (resid 138 and name HG22) (resid 138 and name HG21)
assign (resid 141 and name HD11) (resid 141 and name HD13) 1.236 0.191 0.191 !weight 1.000 ! spec=Expt_22, no=32, id=4333, vol=5.621259e+09
or (resid 141 and name HD11) (resid 141 and name HD12)
or (resid 141 and name HD11) (resid 141 and name HD13)
or (resid 141 and name HD13) (resid 141 and name HD12)
or (resid 141 and name HD11) (resid 141 and name HD12)
or (resid 141 and name HD13) (resid 141 and name HD12)
assign (resid 173 and name HG13) (resid 173 and name HG11) 1.424 0.254 0.254 !weight 1.000 ! spec=Expt_22, no=36, id=4334, vol=2.397826e+09
or (resid 173 and name HG13) (resid 173 and name HG12)
or (resid 173 and name HG13) (resid 173 and name HG11)
or (resid 173 and name HG11) (resid 173 and name HG12)
or (resid 173 and name HG13) (resid 173 and name HG12)
or (resid 173 and name HG11) (resid 173 and name HG12)
assign (resid 142 and name HG21) (resid 142 and name HG23) 1.139 0.162 0.162 !weight 1.000 ! spec=Expt_22, no=39, id=4335, vol=9.176221e+09
or (resid 142 and name HG21) (resid 142 and name HG22)
or (resid 142 and name HG21) (resid 142 and name HG23)
or (resid 142 and name HG23) (resid 142 and name HG22)
or (resid 142 and name HG21) (resid 142 and name HG22)
or (resid 142 and name HG23) (resid 142 and name HG22)
assign (resid 129 and name HG13) (resid 129 and name HG12) 1.411 0.249 0.249 !weight 1.000 ! spec=Expt_22, no=41, id=4336, vol=2.541695e+09
or (resid 129 and name HG13) (resid 129 and name HG11)
or (resid 129 and name HG13) (resid 129 and name HG12)
or (resid 129 and name HG12) (resid 129 and name HG11)
or (resid 129 and name HG13) (resid 129 and name HG11)
or (resid 129 and name HG12) (resid 129 and name HG11)
assign (resid 109 and name HD21) (resid 109 and name HD23) 1.393 0.243 0.243 !weight 1.000 ! spec=Expt_22, no=43, id=4337, vol=2.736971e+09
or (resid 109 and name HD21) (resid 109 and name HD22)
or (resid 109 and name HD21) (resid 109 and name HD23)
or (resid 109 and name HD23) (resid 109 and name HD22)
or (resid 109 and name HD21) (resid 109 and name HD22)
or (resid 109 and name HD23) (resid 109 and name HD22)
assign (resid 179 and name HB1) (resid 179 and name HA) 2.360 0.696 0.696 !weight 1.000 ! spec=Expt_22, no=54, id=4340, vol=1.160362e+08
assign (resid 179 and name HB2) (resid 179 and name HA) 2.292 0.657 0.657 !weight 1.000 ! spec=Expt_22, no=55, id=4341, vol=1.380221e+08
assign (resid 106 and name HB2) (resid 106 and name HB1) 1.597 0.319 0.319 !weight 1.000 ! spec=Expt_22, no=57, id=4342, vol=1.208833e+09
assign (resid 181 and name HB2) (resid 181 and name HB1) 1.689 0.357 0.357 !weight 1.000 ! spec=Expt_22, no=69, id=4345, vol=8.635683e+08
assign (resid 175 and name HB2) (resid 175 and name HD11) 2.418 0.731 0.731 !weight 1.000 ! spec=Expt_22, no=77, id=4347, vol=1.002945e+08
or (resid 175 and name HB2) (resid 175 and name HD12)
or (resid 175 and name HB2) (resid 175 and name HD13)
assign (resid 176 and name HB2) (resid 176 and name HD2) 2.654 0.880 0.880 !weight 1.000 ! spec=Expt_22, no=102, id=4349, vol=5.734822e+07
or (resid 176 and name HB2) (resid 176 and name HD1)
assign (resid 176 and name HB1) (resid 176 and name HD2) 2.809 0.986 0.986 !weight 1.000 ! spec=Expt_22, no=103, id=4350, vol=4.075990e+07
or (resid 176 and name HB1) (resid 176 and name HD1)
assign (resid 175 and name HD21) (resid 176 and name HE2) 2.692 0.906 0.906 !weight 1.000 ! spec=Expt_22, no=107, id=4352, vol=5.267671e+07
or (resid 175 and name HD21) (resid 176 and name HE1)
or (resid 175 and name HD23) (resid 176 and name HE2)
or (resid 175 and name HD23) (resid 176 and name HE1)
or (resid 175 and name HD22) (resid 176 and name HE2)
or (resid 175 and name HD22) (resid 176 and name HE1)
assign (resid 129 and name HB) (resid 165 and name HA) 2.395 0.717 0.717 !weight 1.000 ! spec=Expt_22, no=111, id=4353, vol=1.061092e+08
assign (resid 167 and name HA) (resid 160 and name HA) 2.698 0.910 0.910 !weight 1.000 ! spec=Expt_22, no=113, id=4354, vol=5.194896e+07
assign (resid 160 and name HA) (resid 167 and name HB) 2.493 0.777 0.777 !weight 1.000 ! spec=Expt_22, no=115, id=4355, vol=8.353843e+07
assign (resid 160 and name HD21) (resid 160 and name HA) 2.393 0.716 0.716 !weight 1.000 ! spec=Expt_22, no=117, id=4356, vol=1.065756e+08
or (resid 160 and name HD22) (resid 160 and name HA)
or (resid 160 and name HD23) (resid 160 and name HA)
assign (resid 161 and name HN) (resid 160 and name HA) 2.569 0.825 0.825 !weight 1.000 ! spec=Expt_22, no=118, id=4357, vol=6.972941e+07
assign (resid 160 and name HD13) (resid 164 and name HB2) 2.707 0.916 0.916 !weight 1.000 ! spec=Expt_22, no=124, id=4359, vol=5.089510e+07
or (resid 160 and name HD11) (resid 164 and name HB2)
or (resid 160 and name HD12) (resid 164 and name HB2)
assign (resid 160 and name HB2) (resid 160 and name HD21) 2.112 0.557 0.557 !weight 1.000 ! spec=Expt_22, no=131, id=4362, vol=2.259887e+08
or (resid 160 and name HB2) (resid 160 and name HD22)
or (resid 160 and name HB2) (resid 160 and name HD23)
assign (resid 175 and name HD11) (resid 175 and name HB1) 2.082 0.542 0.542 !weight 1.000 ! spec=Expt_22, no=132, id=4363, vol=2.457293e+08
or (resid 175 and name HD12) (resid 175 and name HB1)
or (resid 175 and name HD13) (resid 175 and name HB1)
assign (resid 160 and name HD21) (resid 158 and name HN) 2.889 1.043 1.043 !weight 1.000 ! spec=Expt_22, no=140, id=4368, vol=3.446434e+07
or (resid 160 and name HD22) (resid 158 and name HN)
or (resid 160 and name HD23) (resid 158 and name HN)
assign (resid 161 and name HB1) (resid 161 and name HB2) 2.594 0.841 0.841 !weight 1.000 ! spec=Expt_22, no=147, id=4370, vol=6.577098e+07
assign (resid 161 and name HB1) (resid 161 and name HA) 2.745 0.942 0.942 !weight 1.000 ! spec=Expt_22, no=149, id=4371, vol=4.682981e+07
assign (resid 162 and name HA) (resid 161 and name HA) 3.177 1.261 1.261 !weight 1.000 ! spec=Expt_22, no=150, id=4372, vol=1.949942e+07
assign (resid 91 and name HB2) (resid 92 and name HB1) 2.697 1.909 1.909 !weight 1.000 ! spec=Expt_22, no=156, id=4373, vol=5.206392e+07
assign (resid 91 and name HB2) (resid 91 and name HA) 2.598 0.844 0.844 !weight 1.000 ! spec=Expt_22, no=158, id=4374, vol=6.515372e+07
assign (resid 163 and name HB1) (resid 163 and name HB2) 2.150 0.578 0.578 !weight 1.000 ! spec=Expt_22, no=166, id=4375, vol=2.027084e+08
assign (resid 163 and name HA) (resid 163 and name HB2) 2.596 0.843 0.843 !weight 1.000 ! spec=Expt_22, no=168, id=4376, vol=6.539409e+07
assign (resid 163 and name HB1) (resid 163 and name HA) 2.716 0.922 0.922 !weight 1.000 ! spec=Expt_22, no=171, id=4377, vol=4.992791e+07
assign (resid 165 and name HA) (resid 166 and name HN) 3.063 1.173 1.173 !weight 1.000 ! spec=Expt_22, no=174, id=4378, vol=2.427234e+07
assign (resid 165 and name HA) (resid 161 and name HB1) 3.212 1.290 1.290 !weight 1.000 ! spec=Expt_22, no=175, id=4379, vol=1.824801e+07
assign (resid 165 and name HA) (resid 165 and name HB1) 2.972 1.104 1.104 !weight 1.000 ! spec=Expt_22, no=176, id=4380, vol=2.909351e+07
assign (resid 165 and name HA) (resid 165 and name HB2) 2.770 0.959 0.959 !weight 1.000 ! spec=Expt_22, no=177, id=4381, vol=4.434338e+07
assign (resid 165 and name HA) (resid 129 and name HG13) 4.266 2.274 2.274 !weight 1.000 ! spec=Expt_22, no=178, id=4382, vol=3.325967e+06
or (resid 165 and name HA) (resid 129 and name HG12)
or (resid 165 and name HA) (resid 129 and name HG11)
assign (resid 165 and name HB2) (resid 161 and name HB1) 2.904 1.054 1.054 !weight 1.000 ! spec=Expt_22, no=180, id=4384, vol=3.340966e+07
assign (resid 154 and name HE1) (resid 151 and name HA) 2.844 1.011 1.011 !weight 1.000 ! spec=Expt_22, no=184, id=4385, vol=3.784780e+07
or (resid 154 and name HE2) (resid 151 and name HA)
assign (resid 154 and name HE1) (resid 93 and name HD12) 2.533 0.802 0.802 !weight 1.000 ! spec=Expt_22, no=186, id=4386, vol=7.583712e+07
or (resid 154 and name HE1) (resid 93 and name HD13)
or (resid 154 and name HE1) (resid 93 and name HD11)
or (resid 154 and name HE2) (resid 93 and name HD12)
or (resid 154 and name HE2) (resid 93 and name HD13)
or (resid 154 and name HE2) (resid 93 and name HD11)
assign (resid 154 and name HE1) (resid 154 and name HD1) 2.024 0.512 0.512 !weight 1.000 ! spec=Expt_22, no=187, id=4387, vol=2.916163e+08
or (resid 154 and name HE1) (resid 154 and name HD2)
or (resid 154 and name HE2) (resid 154 and name HD1)
or (resid 154 and name HE2) (resid 154 and name HD2)
assign (resid 85 and name HH2) (resid 85 and name HZ2) 2.842 1.009 1.009 !weight 1.000 ! spec=Expt_22, no=188, id=4388, vol=3.805362e+07
assign (resid 145 and name HD1) (resid 145 and name HB1) 3.016 1.137 1.137 !weight 1.000 ! spec=Expt_22, no=192, id=4389, vol=2.664061e+07
assign (resid 135 and name HE1) (resid 135 and name HD2) 2.690 0.905 0.905 !weight 1.000 ! spec=Expt_22, no=195, id=4391, vol=5.287082e+07
or (resid 135 and name HE1) (resid 135 and name HD1)
or (resid 135 and name HE2) (resid 135 and name HD2)
or (resid 135 and name HE2) (resid 135 and name HD1)
assign (resid 102 and name HE2) (resid 102 and name HD2) 2.862 1.024 1.024 !weight 1.000 ! spec=Expt_22, no=197, id=4392, vol=3.643825e+07
or (resid 102 and name HE2) (resid 102 and name HD1)
or (resid 102 and name HE1) (resid 102 and name HD2)
or (resid 102 and name HE1) (resid 102 and name HD1)
assign (resid 154 and name HD1) (resid 154 and name HB1) 2.968 1.101 1.101 !weight 1.000 ! spec=Expt_22, no=201, id=4393, vol=2.931190e+07
or (resid 154 and name HD2) (resid 154 and name HB1)
assign (resid 93 and name HD12) (resid 154 and name HD1) 3.009 1.132 1.132 !weight 1.000 ! spec=Expt_22, no=203, id=4394, vol=2.696948e+07
or (resid 93 and name HD12) (resid 154 and name HD2)
or (resid 93 and name HD13) (resid 154 and name HD1)
or (resid 93 and name HD13) (resid 154 and name HD2)
or (resid 93 and name HD11) (resid 154 and name HD1)
or (resid 93 and name HD11) (resid 154 and name HD2)
assign (resid 160 and name HD13) (resid 160 and name HA) 2.946 1.085 1.085 !weight 1.000 ! spec=Expt_22, no=629, id=4521, vol=3.067272e+07
or (resid 160 and name HD11) (resid 160 and name HA)
or (resid 160 and name HD12) (resid 160 and name HA)
assign (resid 153 and name HN) (resid 160 and name HD13) 2.838 1.006 1.006 !weight 1.000 ! spec=Expt_22, no=630, id=4522, vol=3.838252e+07
or (resid 153 and name HN) (resid 160 and name HD11)
or (resid 153 and name HN) (resid 160 and name HD12)
assign (resid 176 and name HB2) (resid 180 and name HN) 2.626 0.862 0.862 weight 1.000 ! spec=Expt_21, no=264, id=32, vol=2.666273e+07
or (resid 180 and name HB1) (resid 180 and name HN)
assign (resid 160 and name HB1) (resid 160 and name HD21) 2.756 0.949 0.949 weight 1.000 ! spec=Expt_21, no=362, id=116, vol=1.996514e+07
or (resid 160 and name HB1) (resid 160 and name HD22)
or (resid 160 and name HB1) (resid 160 and name HD23)
or (resid 160 and name HD21) (resid 167 and name HB)
or (resid 160 and name HD22) (resid 167 and name HB)
or (resid 160 and name HD23) (resid 167 and name HB)
assign (resid 99 and name HB2) (resid 99 and name HB1) 1.615 0.326 0.326 weight 1.000 ! spec=Expt_21, no=383, id=137, vol=4.924957e+08
or (resid 90 and name HB1) (resid 90 and name HB2)
assign (resid 100 and name HD13) (resid 100 and name HB) 2.022 0.511 0.511 weight 1.000 ! spec=Expt_21, no=444, id=167, vol=1.280579e+08
or (resid 100 and name HD11) (resid 100 and name HB)
or (resid 100 and name HD12) (resid 100 and name HB)
or (resid 100 and name HD13) (resid 99 and name HB2)
or (resid 100 and name HD11) (resid 99 and name HB2)
or (resid 100 and name HD12) (resid 99 and name HB2)
assign (resid 149 and name HB1) (resid 133 and name HG22) 1.951 0.476 0.476 weight 1.000 ! spec=Expt_21, no=481, id=196, vol=1.584420e+08
or (resid 149 and name HB1) (resid 133 and name HG23)
or (resid 149 and name HB1) (resid 133 and name HG21)
or (resid 149 and name HB2) (resid 133 and name HG22)
or (resid 149 and name HB2) (resid 133 and name HG23)
or (resid 149 and name HB2) (resid 133 and name HG21)
or (resid 149 and name HB3) (resid 133 and name HG22)
or (resid 149 and name HB3) (resid 133 and name HG23)
or (resid 149 and name HB3) (resid 133 and name HG21)
or (resid 149 and name HB1) (resid 129 and name HG13)
or (resid 149 and name HB1) (resid 129 and name HG12)
or (resid 149 and name HB1) (resid 129 and name HG11)
or (resid 149 and name HB2) (resid 129 and name HG13)
or (resid 149 and name HB2) (resid 129 and name HG12)
or (resid 149 and name HB2) (resid 129 and name HG11)
or (resid 149 and name HB3) (resid 129 and name HG13)
or (resid 149 and name HB3) (resid 129 and name HG12)
or (resid 149 and name HB3) (resid 129 and name HG11)
assign (resid 160 and name HA) (resid 160 and name HB1) 2.298 0.660 0.660 weight 1.000 ! spec=Expt_21, no=590, id=271, vol=5.938081e+07
or (resid 160 and name HA) (resid 167 and name HB)
assign (resid 160 and name HA) (resid 168 and name HN) 2.494 0.778 0.778 weight 1.000 ! spec=Expt_21, no=591, id=272, vol=3.635030e+07
or (resid 166 and name HA) (resid 129 and name HN)
assign (resid 149 and name HA) (resid 160 and name HD13) 2.680 0.898 0.898 weight 1.000 ! spec=Expt_21, no=698, id=349, vol=2.359377e+07
or (resid 149 and name HA) (resid 160 and name HD11)
or (resid 149 and name HA) (resid 160 and name HD12)
or (resid 152 and name HA) (resid 160 and name HD13)
or (resid 152 and name HA) (resid 160 and name HD11)
or (resid 152 and name HA) (resid 160 and name HD12)
assign (resid 131 and name HA) (resid 131 and name HD13) 1.976 0.488 0.488 weight 1.000 ! spec=Expt_21, no=746, id=374, vol=1.471021e+08
or (resid 131 and name HA) (resid 131 and name HD11)
or (resid 131 and name HA) (resid 131 and name HD12)
or (resid 175 and name HD21) (resid 175 and name HA)
or (resid 175 and name HD23) (resid 175 and name HA)
or (resid 175 and name HD22) (resid 175 and name HA)
assign (resid 85 and name HA) (resid 85 and name HD1) 1.963 0.482 0.482 weight 1.000 ! spec=Expt_21, no=858, id=456, vol=1.528161e+08
or (resid 85 and name HA) (resid 86 and name HN)
assign (resid 158 and name HD11) (resid 100 and name HB) 2.458 0.755 0.755 weight 1.000 ! spec=Expt_21, no=913, id=486, vol=3.965121e+07
or (resid 158 and name HD12) (resid 100 and name HB)
or (resid 158 and name HD13) (resid 100 and name HB)
or (resid 158 and name HD11) (resid 157 and name HB)
or (resid 158 and name HD12) (resid 157 and name HB)
or (resid 158 and name HD13) (resid 157 and name HB)
assign (resid 157 and name HG12) (resid 157 and name HA) 1.976 0.488 0.488 weight 1.000 ! spec=Expt_21, no=939, id=493, vol=1.470720e+08
or (resid 157 and name HG11) (resid 157 and name HA)
or (resid 157 and name HG13) (resid 157 and name HA)
or (resid 157 and name HG21) (resid 157 and name HA)
or (resid 157 and name HG22) (resid 157 and name HA)
or (resid 157 and name HG23) (resid 157 and name HA)
assign (resid 157 and name HG12) (resid 157 and name HB) 1.954 0.477 0.477 weight 1.000 ! spec=Expt_21, no=1076, id=597, vol=1.569826e+08
or (resid 157 and name HG11) (resid 157 and name HB)
or (resid 157 and name HG13) (resid 157 and name HB)
or (resid 157 and name HG21) (resid 157 and name HB)
or (resid 157 and name HG22) (resid 157 and name HB)
or (resid 157 and name HG23) (resid 157 and name HB)
assign (resid 151 and name HB3) (resid 96 and name HB1) 2.778 0.964 0.964 weight 1.000 ! spec=Expt_21, no=1240, id=711, vol=1.904833e+07
or (resid 151 and name HB2) (resid 96 and name HB1)
or (resid 151 and name HB1) (resid 96 and name HB1)
or (resid 96 and name HG) (resid 96 and name HB1)
assign (resid 132 and name HB1) (resid 132 and name HD21) 2.222 0.617 0.617 weight 1.000 ! spec=Expt_21, no=1247, id=718, vol=7.272433e+07
or (resid 132 and name HB1) (resid 132 and name HD23)
or (resid 132 and name HB1) (resid 132 and name HD22)
or (resid 81 and name HB2) (resid 81 and name HD11)
or (resid 81 and name HB2) (resid 81 and name HD13)
or (resid 81 and name HB2) (resid 81 and name HD12)
assign (resid 96 and name HB2) (resid 96 and name HG) 2.674 0.894 0.894 weight 1.000 ! spec=Expt_21, no=1253, id=724, vol=2.392416e+07
or (resid 151 and name HB3) (resid 96 and name HB2)
or (resid 151 and name HB2) (resid 96 and name HB2)
or (resid 151 and name HB1) (resid 96 and name HB2)
assign (resid 85 and name HZ3) (resid 147 and name HG2#) 3.2 1.4 1.8 !
assign (resid 85 and name HZ2) ((resid 88 and name HD1) or (resid 88 and name HD2)) 3.2 1.4 1.8 !
assign (resid 90 and name HA) (resid 93 and name HB) 3.2 1.4 1.8 !
assign (resid 90 and name HA) (resid 93 and name HG2#) 3.2 1.4 1.8 !
assign (resid 90 and name HA) (resid 93 and name HD1#) 3.2 1.4 1.8 !
assign (resid 93 and name HG2#) ((resid 154 and name HB1) or (resid 154 and name HB2)) 3.2 1.4 1.8 !
assign (resid 93 and name HG2#) ((resid 154 and name HE1) or (resid 154 and name HE2)) 3.2 1.4 1.8 !
assign (resid 94 and name HA) ((resid 97 and name HG1#) or (resid 97 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 94 and name HA) (resid 97 and name HB) 3.2 1.4 1.8 !
assign (resid 95 and name HE#) ((resid 138 and name HG1#) or (resid 138 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 95 and name HE#) ((resid 141 and name HD1#) or (resid 141 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 96 and name HG) ((resid 138 and name HG1#) or (resid 138 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 97 and name HB) ((resid 152 and name HD1#) or (resid 152 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 97 and name HG#) ((resid 152 and name HD1#) or (resid 152 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 99 and name HA) ((resid 102 and name HB1) or (resid 102 and name HB2)) 3.2 1.4 1.8 !
assign (resid 99 and name HB#) ((resid 138 and name HG1#) or (resid 138 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 99 and name HB#) ((resid 141 and name HD1#) or (resid 141 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 99 and name HG#) ((resid 141 and name HD1#) or (resid 141 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 100 and name HD1#) ((resid 101 and name HB1) or (resid 101 and name HB2)) 3.2 1.4 1.8 !
assign (resid 100 and name HG2#) ((resid 115 and name HD1#) or (resid 115 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 100 and name HD1#) ((resid 115 and name HD1#) or (resid 115 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 100 and name HD1#) ((resid 167 and name HG1#) or (resid 167 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 100 and name HG2#) ((resid 167 and name HG1#) or (resid 167 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 101 and name HA) ((resid 158 and name HD1#) or (resid 158 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 103 and name HB#) ((resid 115 and name HD1#) or (resid 115 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 103 and name HA) ((resid 115 and name HD1#) or (resid 115 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 104 and name HA) ((resid 109 and name HD1#) or (resid 109 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 104 and name HA) (resid 109 and name HG) 3.2 1.4 1.8 !
assign (resid 104 and name HB#) ((resid 158 and name HD1#) or (resid 158 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 104 and name HA) ((resid 115 and name HD1#) or (resid 115 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 108 and name HN) ((resid 111 and name HB2#) or (resid 111 and name HB1#)) 3.2 1.4 1.8 !
assign (resid 109 and name HD#) ((resid 115 and name HD1#) or (resid 115 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 109 and name HA) ((resid 112 and name HB1) or (resid 112 and name HB2)) 3.2 1.4 1.8 !
assign (resid 110 and name HA) (resid 113 and name HB#) 3.2 1.4 1.8 !
assign (resid 113 and name HA) ((resid 109 and name HD1#) or (resid 109 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 113 and name HB#) ((resid 109 and name HD1#) or (resid 109 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 113 and name HB#) ((resid 114 and name HB1) or (resid 114 and name HB2)) 3.2 1.4 1.8 !
assign (resid 113 and name HA) ((resid 116 and name HB1) or (resid 116 and name HB2)) 3.2 1.4 1.8 !
assign (resid 113 and name HA) ((resid 116 and name HD2#) or (resid 116 and name HD1#)) 3.2 1.4 1.8 !
assign (resid 114 and name HA) (resid 113 and name HB#) 3.2 1.4 1.8 !
assign (resid 115 and name HD#) ((resid 131 and name HD1#) or (resid 131 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 116 and name HD#) ((resid 115 and name HD1#) or (resid 115 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 119 and name HG#) ((resid 115 and name HD1#) or (resid 115 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 127 and name HG#) ((resid 131 and name HD1#) or (resid 131 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 127 and name HG#) ((resid 115 and name HD1#) or (resid 115 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 127 and name HG#) ((resid 167 and name HG1#) or (resid 115 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 127 and name HB) ((resid 167 and name HG1#) or (resid 115 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 128 and name HA) (resid 166 and name HA) 3.2 1.4 0.8 !
assign (resid 129 and name HG#) ((resid 115 and name HD1#) or (resid 115 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 132 and name HG) ((resid 115 and name HD1#) or (resid 115 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 132 and name HD#) ((resid 115 and name HD1#) or (resid 115 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 133 and name HG2#) (resid 145 and name HA) 3.2 1.4 1.8 !
assign (resid 133 and name HG2#) ((resid 145 and name HB1) or (resid 145 and name HB2)) 3.2 1.4 1.8 !
assign (resid 138 and name HG#) ((resid 96 and name HD1#) or (resid 96 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 138 and name HG#) ((resid 141 and name HD1#) or (resid 141 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 142 and name HB) (resid 147 and name HG2#) 3.2 1.4 1.8 !
assign (resid 142 and name HG#) (resid 147 and name HG2#) 3.2 1.4 1.8 !
assign (resid 145 and name HE3) (resid 133 and name HG2#) 3.2 1.4 1.8 !
assign (resid 145 and name HE3) ((resid 134 and name HB1) or (resid 134 and name HB2)) 3.2 1.4 1.8 !
assign (resid 145 and name HE3) (resid 149 and name HB#) 3.2 1.4 1.8 !
assign (resid 147 and name HG2#) ((resid 96 and name HD1#) or (resid 129 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 148 and name HA) (resid 149 and name HA) 3.2 1.4 1.8 !
assign (resid 148 and name HA) (resid 149 and name HB#) 3.2 1.4 1.8 !
assign (resid 148 and name HA) ((resid 96 and name HD1#) or (resid 129 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 148 and name HB) ((resid 96 and name HD1#) or (resid 129 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 149 and name HA) (resid 133 and name HG2#) 3.2 1.4 1.8 !
assign (resid 149 and name HB#) (resid 133 and name HG2#) 3.2 1.4 1.8 !
assign (resid 149 and name HA) ((resid 129 and name HG1#) or (resid 129 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 149 and name HB#) ((resid 129 and name HG1#) or (resid 129 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 149 and name HA) ((resid 160 and name HD1#) or (resid 160 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 149 and name HB#) ((resid 160 and name HD1#) or (resid 160 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 149 and name HB#) ((resid 164 and name HB1) or (resid 164 and name HB2)) 3.2 1.4 1.8 !
assign (resid 149 and name HB#) ((resid 167 and name HG1#) or (resid 167 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 151 and name HA) (resid 93 and name HG2#) 3.2 1.4 1.8 !
assign (resid 151 and name HA) (resid 93 and name HD1#) 3.2 1.4 1.8 !
assign (resid 151 and name HA) ((resid 93 and name HG11) or (resid 93 and name HG12)) 3.2 1.4 1.8 !
assign (resid 151 and name HB#) (resid 93 and name HA) 3.2 1.4 1.8 !
assign (resid 151 and name HB#) (resid 93 and name HB) 3.2 1.4 1.8 !
assign (resid 151 and name HB#) (resid 93 and name HG2#) 3.2 1.4 1.8 !
assign (resid 151 and name HB#) (resid 93 and name HD1#) 3.2 1.4 1.8 !
assign (resid 151 and name HB#) ((resid 93 and name HG11) or (resid 93 and name HG12)) 3.2 1.4 1.8 !
assign (resid 151 and name HB#) ((resid 96 and name HB1) or (resid 96 and name HB2)) 3.2 1.4 1.8 !
assign (resid 152 and name HA) ((resid 97 and name HG1#) or (resid 97 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 152 and name HD#) ((resid 158 and name HD1#) or (resid 158 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 152 and name HB#) ((resid 167 and name HG1#) or (resid 167 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 152 and name HB#) ((resid 160 and name HD1#) or (resid 160 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 152 and name HB#) (resid 149 and name HA) 3.2 1.4 1.8 !
assign (resid 152 and name HB#) (resid 149 and name HB#) 3.2 1.4 1.8 !
assign (resid 154 and name HB#) ((resid 97 and name HG2#) or (resid 97 and name HG1#)) 3.2 1.4 1.8 !
assign (resid 154 and name HA) (resid 93 and name HG2#) 3.2 1.4 1.8 !
assign (resid 155 and name HB#) ((resid 97 and name HG1#) or (resid 97 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 155 and name HA) ((resid 97 and name HG1#) or (resid 97 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 155 and name HB#) (resid 97 and name HB) 3.2 1.4 1.8 !
assign (resid 156 and name HB) ((resid 157 and name HG1#) or (resid 157 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 157 and name HB) (resid 158 and name HG) 3.2 1.4 1.8 !
assign (resid 157 and name HB) ((resid 158 and name HD1#) or (resid 158 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 157 and name HG#) ((resid 158 and name HD1#) or (resid 158 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 158 and name HA) (resid 169 and name HA) 3.2 1.4 0.8 !
assign (resid 160 and name HA) (resid 167 and name HA) 3.2 1.4 0.8 !
assign (resid 160 and name HA) (resid 167 and name HB) 3.2 1.4 1.8 !
assign (resid 160 and name HA) ((resid 167 and name HG1#) or (resid 167 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 160 and name HG) ((resid 167 and name HG1#) or (resid 167 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 160 and name HD#) ((resid 167 and name HG1#) or (resid 167 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 163 and name HA) ((resid 164 and name HB1) or (resid 164 and name HB2)) 3.2 1.4 1.8 !
assign (resid 164 and name HA) ((resid 160 and name HD1#) or (resid 160 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 164 and name HB#) ((resid 160 and name HD1#) or (resid 160 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 164 and name HA) ((resid 160 and name HB1) or (resid 160 and name HB2)) 3.2 1.4 1.8 !
assign (resid 167 and name HG#) ((resid 158 and name HD1#) or (resid 158 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 167 and name HA) ((resid 160 and name HD1#) or (resid 160 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 168 and name HB#) ((resid 159 and name HG1#) or (resid 159 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 171 and name HB) ((resid 172 and name HD1) or (resid 172 and name HD2)) 3.2 1.4 1.8 !
assign (resid 171 and name HG2#) ((resid 172 and name HD1) or (resid 172 and name HD2)) 3.2 1.4 1.8 !
assign (resid 85 and name HE1) (resid 147 and name HN) 3.2 1.4 1.8
assign (resid 85 and name HE1) (resid 147 and name HA) 3.2 1.4 1.8
assign (resid 85 and name HE1) (resid 147 and name HB) 3.2 1.4 1.8
assign (resid 85 and name HE1) (resid 147 and name HG2#) 3.2 1.4 1.8
assign (resid 85 and name HE1) ((resid 146 and name HB2) or (resid 146 and name HB1)) 3.2 1.4 1.8 !
assign (resid 102 and name HN) ((resid 97 and name HG2#) or (resid 97 and name HG1#)) 3.2 1.4 1.8 !
assign (resid 104 and name HN) ((resid 115 and name HD2#) or (resid 115 and name HD1#)) 3.2 1.4 1.8
assign (resid 109 and name HN) (resid 104 and name HA) 3.2 1.4 1.8 !
assign (resid 112 and name HN) (resid 180 and name HN) 3.2 1.4 1.8 !
assign (resid 118 and name HN) ((resid 127 and name HG2#) or (resid 127 and name HG1#)) 3.2 1.4 1.8 !
assign (resid 127 and name HN) (resid 167 and name HN) 3.2 1.4 0.8 !
assign (resid 127 and name HN) ((resid 167 and name HG2#) or (resid 167 and name HG1#)) 3.2 1.4 1.8 !
assign (resid 129 and name HN) (resid 166 and name HA) 3.2 1.4 0.8 !
assign (resid 145 and name HN) (resid 133 and name HG2#) 3.2 1.4 1.8 !
assign (resid 147 and name HN) (resid 85 and name HZ3) 3.2 1.4 1.8 !
assign (resid 149 and name HN) (resid 85 and name HH2) 3.2 1.4 1.8 !
assign (resid 149 and name HN) (resid 85 and name HZ3) 3.2 1.4 1.8 !
assign (resid 149 and name HN) (resid 133 and name HG2#) 3.2 1.4 1.8 !
assign (resid 149 and name HN) (resid 85 and name HZ3) 3.2 1.4 1.8 !
assign (resid 149 and name HN) (resid 85 and name HE3) 3.2 1.4 1.8 !
assign (resid 152 and name HN) ((resid 160 and name HD1#) or (resid 160 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 153 and name HN) ((resid 160 and name HD1#) or (resid 160 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 154 and name HN) ((resid 97 and name HG1#) or (resid 97 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 154 and name HN) ((resid 160 and name HD1#) or (resid 160 and name HD2#)) 3.2 1.4 1.8 !
assign (resid 155 and name HN) ((resid 97 and name HG1#) or (resid 97 and name HG2#)) 3.2 1.4 1.8 !
assign (resid 159 and name HN) (resid 168 and name HN) 3.2 1.4 0.8 !
assign (resid 159 and name HN) (resid 169 and name HA) 3.2 1.4 0.8 !
assign (resid 161 and name HN) (resid 166 and name HN) 3.2 1.4 0.8 !
assign (resid 161 and name HN) (resid 167 and name HA) 3.2 1.4 0.8 !
assign (resid 161 and name HN) (resid 168 and name HN) 3.2 1.4 0.8 !
assign (resid 166 and name HN) ((resid 161 and name HB2) or (resid 161 and name HB1)) 3.2 1.4 1.8 !
assign (resid 167 and name HN) (resid 128 and name HA) 3.2 1.4 1.8 !
assign (resid 167 and name HN) (resid 127 and name HB) 3.2 1.4 1.8 !
assign (resid 167 and name HN) ((resid 127 and name HG2#) or (resid 127 and name HG1#)) 3.2 1.4 1.8 !
assign (resid 168 and name HN) (resid 160 and name HA) 3.2 1.4 0.8 !
assign (resid 168 and name HN) ((resid 159 and name HG2) or (resid 159 and name HG1)) 3.2 1.4 1.8 !
assign (resid 169 and name HN) ((resid 158 and name HD1#) or (resid 159 and name HD2#)) 3.2 1.4 1.8 !
Contact the webmaster for help, if required. Thursday, May 23, 2024 2:41:15 PM GMT (wattos1)