NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
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655499 |
6vy7   |
30728 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
# Restraints file 2: D_1000244946_mr_P3.cns.V1
assign (segid " A" and resid 17 and name HE21) (segid " A" and resid 17 and name HG1) 2.956 1.092 1.092 weight 1.000 ! spec=1H N...0ms), no=25, id=20, vol=6.925000e+00
or (segid " A" and resid 17 and name HE21) (segid " A" and resid 17 and name HB2)
or (segid " A" and resid 12 and name HD1) (segid " A" and resid 17 and name HG1)
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 17 and name HG1)
assign (segid " A" and resid 11 and name HN) (segid " A" and resid 11 and name HG2) 3.451 1.489 1.489 weight 1.000 ! spec=1H N...0ms), no=63, id=58, vol=7.734000e+00
or (segid " A" and resid 11 and name HN) (segid " A" and resid 18 and name HG11)
assign (segid " A" and resid 3 and name HN) (segid " A" and resid 19 and name HA) 3.601 1.621 1.621 weight 1.000 ! spec=1H N...0ms), no=81, id=76, vol=8.837000e+00
or (segid " A" and resid 18 and name HN) (segid " A" and resid 19 and name HA)
assign (segid " A" and resid 12 and name HE1) (segid " A" and resid 10 and name HA) 3.301 1.362 1.362 weight 1.000 ! spec=1H N...0ms), no=98, id=93, vol=6.815000e+00
or (segid " A" and resid 12 and name HE2) (segid " A" and resid 10 and name HA)
or (segid " A" and resid 12 and name HE1) (segid " A" and resid 15 and name HA)
or (segid " A" and resid 12 and name HE2) (segid " A" and resid 15 and name HA)
assign (segid " A" and resid 7 and name HN) (segid " A" and resid 5 and name HA) 2.524 0.796 0.796 weight 1.000 ! spec=1H N...0ms), no=104, id=99, vol=7.556000e+00
or (segid " A" and resid 7 and name HN) (segid " A" and resid 6 and name HA2)
assign (segid " A" and resid 13 and name HD1) (segid " A" and resid 16 and name HB2) 3.672 1.686 1.686 weight 1.000 ! spec=1H N...0ms), no=107, id=102, vol=7.326000e+00
or (segid " A" and resid 13 and name HD2) (segid " A" and resid 16 and name HB2)
or (segid " A" and resid 13 and name HD1) (segid " A" and resid 16 and name HB1)
or (segid " A" and resid 13 and name HD2) (segid " A" and resid 16 and name HB1)
assign (segid " A" and resid 21 and name HN) (segid " A" and resid 10 and name HD2) 2.888 1.043 1.043 weight 1.000 ! spec=1H N...0ms), no=116, id=111, vol=9.263000e+00
or (segid " A" and resid 22 and name HN) (segid " A" and resid 22 and name HB1)
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 10 and name HD2) 4.151 2.154 2.154 weight 1.000 ! spec=1H N...0ms), no=117, id=112, vol=6.895000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 10 and name HD2)
or (segid " A" and resid 12 and name HD1) (segid " A" and resid 14 and name HA)
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 14 and name HA)
or (segid " A" and resid 15 and name HD21) (segid " A" and resid 14 and name HA)
assign (segid " A" and resid 21 and name HN) (segid " A" and resid 21 and name HB1) 2.494 0.777 0.777 weight 1.000 ! spec=1H N...0ms), no=126, id=121, vol=9.258000e+00
or (segid " A" and resid 22 and name HN) (segid " A" and resid 21 and name HB1)
assign (segid " A" and resid 13 and name HD1) (segid " A" and resid 13 and name HB2) 2.148 0.577 0.577 weight 1.000 ! spec=1H N...0ms), no=145, id=140, vol=7.332000e+00
or (segid " A" and resid 13 and name HD2) (segid " A" and resid 13 and name HB2)
or (segid " A" and resid 13 and name HD1) (segid " A" and resid 14 and name HD2)
or (segid " A" and resid 13 and name HD1) (segid " A" and resid 14 and name HD1)
or (segid " A" and resid 13 and name HD2) (segid " A" and resid 14 and name HD2)
or (segid " A" and resid 13 and name HD2) (segid " A" and resid 14 and name HD1)
assign (segid " A" and resid 12 and name HE1) (segid " A" and resid 12 and name HN) 3.394 1.440 1.440 weight 1.000 ! spec=1H N...0ms), no=170, id=165, vol=6.815000e+00
or (segid " A" and resid 12 and name HE2) (segid " A" and resid 12 and name HN)
or (segid " A" and resid 12 and name HE1) (segid " A" and resid 13 and name HN)
or (segid " A" and resid 12 and name HE2) (segid " A" and resid 13 and name HN)
assign (segid " A" and resid 16 and name HB2) (segid " A" and resid 13 and name HN) 3.089 1.193 1.193 weight 1.000 ! spec=1H N...0ms), no=189, id=184, vol=3.939000e+00
or (segid " A" and resid 16 and name HB2) (segid " A" and resid 17 and name HN)
or (segid " A" and resid 16 and name HB1) (segid " A" and resid 13 and name HN)
assign (segid " A" and resid 14 and name HD2) (segid " A" and resid 15 and name HN) 2.728 0.930 0.930 weight 1.000 ! spec=1H N...0ms), no=210, id=205, vol=2.952000e+00
or (segid " A" and resid 14 and name HD1) (segid " A" and resid 15 and name HN)
or (segid " A" and resid 15 and name HB2) (segid " A" and resid 15 and name HN)
assign (segid " A" and resid 20 and name HE1) (segid " A" and resid 2 and name HB1) 3.402 1.447 1.447 weight 1.000 ! spec=1H N...0ms), no=213, id=208, vol=3.253000e+00
or (segid " A" and resid 20 and name HE1) (segid " A" and resid 20 and name HB2)
assign (segid " A" and resid 19 and name HB1) (segid " A" and resid 20 and name HD2) 3.899 1.900 1.900 weight 1.000 ! spec=1H N...0ms), no=238, id=232, vol=3.181000e+00
or (segid " A" and resid 22 and name HB2) (segid " A" and resid 20 and name HD2)
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 12 and name HB2) 2.004 0.502 0.502 weight 1.000 ! spec=1H N...0ms), no=242, id=236, vol=2.851000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 12 and name HB2)
or (segid " A" and resid 12 and name HB1) (segid " A" and resid 12 and name HD1)
or (segid " A" and resid 12 and name HB1) (segid " A" and resid 12 and name HD2)
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 15 and name HB1) 3.367 1.417 1.417 weight 1.000 ! spec=1H N...0ms), no=243, id=237, vol=3.010000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 15 and name HB1)
or (segid " A" and resid 15 and name HD21) (segid " A" and resid 15 and name HB1)
assign (segid " A" and resid 17 and name HN) (segid " A" and resid 17 and name HB1) 2.583 0.834 0.834 weight 1.000 ! spec=1H N...0ms), no=249, id=243, vol=2.003000e+00
or (segid " A" and resid 6 and name HN) (segid " A" and resid 5 and name HB2)
or (segid " A" and resid 6 and name HN) (segid " A" and resid 5 and name HB1)
assign (segid " A" and resid 11 and name HG2) (segid " A" and resid 12 and name HN) 3.592 1.613 1.613 weight 1.000 ! spec=1H N...0ms), no=255, id=249, vol=1.317000e+00
or (segid " A" and resid 18 and name HG11) (segid " A" and resid 12 and name HN)
or (segid " A" and resid 18 and name HG11) (segid " A" and resid 13 and name HN)
assign (segid " A" and resid 18 and name HN) (segid " A" and resid 17 and name HB2) 3.140 1.232 1.232 weight 1.000 ! spec=1H N...0ms), no=258, id=252, vol=1.849000e+00
or (segid " A" and resid 18 and name HN) (segid " A" and resid 11 and name HB1)
assign (segid " A" and resid 17 and name HG1) (segid " A" and resid 18 and name HN) 3.172 1.258 1.258 weight 1.000 ! spec=1H N...0ms), no=259, id=253, vol=1.828000e+00
or (segid " A" and resid 18 and name HN) (segid " A" and resid 17 and name HB2)
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 10 and name HB2) 3.434 1.474 1.474 weight 1.000 ! spec=1H N...0ms), no=285, id=279, vol=2.080000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 10 and name HB2)
or (segid " A" and resid 17 and name HE21) (segid " A" and resid 10 and name HB2)
assign (segid " A" and resid 12 and name HB2) (segid " A" and resid 12 and name HA) 2.324 0.675 0.675 weight 1.000 ! spec=1H N...0ms), no=296, id=288, vol=2.850000e+00
or (segid " A" and resid 12 and name HB1) (segid " A" and resid 12 and name HA)
assign (segid " A" and resid 22 and name HB2) (segid " A" and resid 2 and name HA) 3.019 1.139 1.139 weight 1.000 ! spec=1H N...0ms), no=302, id=293, vol=3.166000e+00
or (segid " A" and resid 3 and name HB1) (segid " A" and resid 2 and name HA)
assign (segid " A" and resid 10 and name HD2) (segid " A" and resid 10 and name HG1) 2.512 0.789 0.789 weight 1.000 ! spec=1H N...0ms), no=340, id=329, vol=3.610000e+00
or (segid " A" and resid 22 and name HB1) (segid " A" and resid 5 and name HB2)
or (segid " A" and resid 22 and name HB1) (segid " A" and resid 5 and name HB1)
assign (segid " A" and resid 18 and name HG22) (segid " A" and resid 16 and name HB2) 3.393 1.439 1.439 weight 1.000 ! spec=1H N...0ms), no=349, id=338, vol=3.933000e+00
or (segid " A" and resid 18 and name HG21) (segid " A" and resid 16 and name HB2)
or (segid " A" and resid 18 and name HG23) (segid " A" and resid 16 and name HB2)
or (segid " A" and resid 18 and name HG22) (segid " A" and resid 16 and name HB1)
or (segid " A" and resid 18 and name HG21) (segid " A" and resid 16 and name HB1)
or (segid " A" and resid 18 and name HG23) (segid " A" and resid 16 and name HB1)
assign (segid " A" and resid 3 and name HB1) (segid " A" and resid 11 and name HG2) 3.404 1.448 1.448 weight 1.000 ! spec=1H N...0ms), no=355, id=344, vol=3.190000e+00
or (segid " A" and resid 19 and name HB1) (segid " A" and resid 18 and name HG11)
assign (segid " A" and resid 13 and name HB1) (segid " A" and resid 18 and name HG11) 3.085 1.190 1.190 weight 1.000 ! spec=1H N...0ms), no=356, id=345, vol=3.103000e+00
or (segid " A" and resid 9 and name HB1) (segid " A" and resid 11 and name HG2)
assign (segid " A" and resid 12 and name HB2) (segid " A" and resid 18 and name HG22) 3.349 1.402 1.402 weight 1.000 ! spec=1H N...0ms), no=364, id=353, vol=2.846000e+00
or (segid " A" and resid 12 and name HB2) (segid " A" and resid 18 and name HG21)
or (segid " A" and resid 12 and name HB2) (segid " A" and resid 18 and name HG23)
or (segid " A" and resid 12 and name HB1) (segid " A" and resid 18 and name HG22)
or (segid " A" and resid 12 and name HB1) (segid " A" and resid 18 and name HG21)
or (segid " A" and resid 12 and name HB1) (segid " A" and resid 18 and name HG23)
or (segid " A" and resid 19 and name HB2) (segid " A" and resid 18 and name HG22)
or (segid " A" and resid 19 and name HB2) (segid " A" and resid 18 and name HG21)
or (segid " A" and resid 19 and name HB2) (segid " A" and resid 18 and name HG23)
assign (segid " A" and resid 11 and name HB1) (segid " A" and resid 11 and name HG2) 2.560 0.819 0.819 weight 1.000 ! spec=1H N...0ms), no=371, id=360, vol=1.854000e+00
or (segid " A" and resid 11 and name HB1) (segid " A" and resid 18 and name HG11)
assign (segid " A" and resid 11 and name HB2) (segid " A" and resid 11 and name HG2) 2.277 0.648 0.648 weight 1.000 ! spec=1H N...0ms), no=372, id=361, vol=1.809000e+00
or (segid " A" and resid 11 and name HB2) (segid " A" and resid 18 and name HG11)
assign (segid " A" and resid 11 and name HD2) (segid " A" and resid 11 and name HE2) 2.455 0.753 0.753 weight 1.000 ! spec=1H N...0ms), no=384, id=373, vol=1.624000e+00
or (segid " A" and resid 11 and name HD1) (segid " A" and resid 11 and name HE2)
or (segid " A" and resid 14 and name HB2) (segid " A" and resid 14 and name HD2)
or (segid " A" and resid 14 and name HB2) (segid " A" and resid 14 and name HD1)
assign (segid " A" and resid 15 and name HN) (segid " A" and resid 13 and name HB2) 2.759 0.952 0.952 weight 1.000 ! spec=1H N...0ms), no=390, id=379, vol=8.628000e+00
or (segid " A" and resid 15 and name HB2) (segid " A" and resid 15 and name HN)
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 10 and name HG1) 3.649 1.664 1.664 weight 1.000 ! spec=1H N...0ms), no=398, id=387, vol=6.921000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 10 and name HG1)
or (segid " A" and resid 17 and name HE21) (segid " A" and resid 17 and name HB1)
assign (segid " A" and resid 11 and name HE2) (segid " A" and resid 18 and name HD12) 2.696 0.908 0.908 weight 1.000 ! spec=1H N...0ms), no=401, id=390, vol=2.922000e+00
or (segid " A" and resid 11 and name HE2) (segid " A" and resid 18 and name HD11)
or (segid " A" and resid 11 and name HE2) (segid " A" and resid 18 and name HD13)
or (segid " A" and resid 13 and name HB2) (segid " A" and resid 18 and name HD12)
or (segid " A" and resid 13 and name HB2) (segid " A" and resid 18 and name HD11)
or (segid " A" and resid 13 and name HB2) (segid " A" and resid 18 and name HD13)
assign (segid " A" and resid 12 and name HB2) (segid " A" and resid 18 and name HD12) 3.985 1.985 1.985 weight 1.000 ! spec=1H N...0ms), no=402, id=391, vol=2.845000e+00
or (segid " A" and resid 12 and name HB2) (segid " A" and resid 18 and name HD11)
or (segid " A" and resid 12 and name HB2) (segid " A" and resid 18 and name HD13)
or (segid " A" and resid 12 and name HB1) (segid " A" and resid 18 and name HD12)
or (segid " A" and resid 12 and name HB1) (segid " A" and resid 18 and name HD11)
or (segid " A" and resid 12 and name HB1) (segid " A" and resid 18 and name HD13)
or (segid " A" and resid 19 and name HB2) (segid " A" and resid 18 and name HD12)
or (segid " A" and resid 19 and name HB2) (segid " A" and resid 18 and name HD11)
or (segid " A" and resid 19 and name HB2) (segid " A" and resid 18 and name HD13)
assign (segid " A" and resid 18 and name HD12) (segid " A" and resid 16 and name HB2) 3.642 1.658 1.658 weight 1.000 ! spec=1H N...0ms), no=411, id=400, vol=3.934000e+00
or (segid " A" and resid 18 and name HD11) (segid " A" and resid 16 and name HB2)
or (segid " A" and resid 18 and name HD13) (segid " A" and resid 16 and name HB2)
or (segid " A" and resid 18 and name HD12) (segid " A" and resid 16 and name HB1)
or (segid " A" and resid 18 and name HD11) (segid " A" and resid 16 and name HB1)
or (segid " A" and resid 18 and name HD13) (segid " A" and resid 16 and name HB1)
assign (segid " A" and resid 18 and name HD12) (segid " A" and resid 16 and name HB2) 3.916 1.916 1.916 weight 1.000 ! spec=1H N...0ms), no=412, id=401, vol=3.909000e+00
or (segid " A" and resid 18 and name HD11) (segid " A" and resid 16 and name HB2)
or (segid " A" and resid 18 and name HD13) (segid " A" and resid 16 and name HB2)
or (segid " A" and resid 17 and name HA) (segid " A" and resid 18 and name HD12)
or (segid " A" and resid 17 and name HA) (segid " A" and resid 18 and name HD11)
or (segid " A" and resid 17 and name HA) (segid " A" and resid 18 and name HD13)
assign (segid " A" and resid 3 and name HB2) (segid " A" and resid 4 and name HA2) 3.298 1.360 1.360 weight 1.000 ! spec=1H N...0ms), no=420, id=409, vol=2.850000e+00
or (segid " A" and resid 12 and name HB2) (segid " A" and resid 17 and name HA)
or (segid " A" and resid 12 and name HB1) (segid " A" and resid 17 and name HA)
assign (segid " A" and resid 3 and name HB1) (segid " A" and resid 3 and name HN) 2.588 0.837 0.837 weight 1.000 ! spec=1H N...0ms), no=423, id=412, vol=8.828000e+00
or (segid " A" and resid 22 and name HB2) (segid " A" and resid 3 and name HN)
assign (segid " A" and resid 5 and name HA) (segid " A" and resid 5 and name HG2) 2.568 0.824 0.824 weight 1.000 ! spec=1H N...0ms), no=430, id=419, vol=2.342000e+00
or (segid " A" and resid 5 and name HA) (segid " A" and resid 5 and name HG1)
or (segid " A" and resid 6 and name HA2) (segid " A" and resid 5 and name HG2)
or (segid " A" and resid 6 and name HA2) (segid " A" and resid 5 and name HG1)
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 15 and name HB2) 3.002 1.127 1.127 weight 1.000 ! spec=1H N...0ms), no=432, id=421, vol=6.895000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 15 and name HB2)
or (segid " A" and resid 15 and name HD21) (segid " A" and resid 15 and name HB2)
assign (segid " A" and resid 17 and name HG1) (segid " A" and resid 12 and name HE1) 2.666 0.889 0.889 weight 1.000 ! spec=1H N...0ms), no=446, id=435, vol=1.843000e+00
or (segid " A" and resid 17 and name HG1) (segid " A" and resid 12 and name HE2)
or (segid " A" and resid 12 and name HE1) (segid " A" and resid 17 and name HB2)
or (segid " A" and resid 12 and name HE2) (segid " A" and resid 17 and name HB2)
assign (segid " A" and resid 20 and name HN) (segid " A" and resid 10 and name HB2) 3.557 1.582 1.582 weight 1.000 ! spec=1H N...0ms), no=461, id=450, vol=8.366000e+00
or (segid " A" and resid 20 and name HN) (segid " A" and resid 1 and name HE2)
or (segid " A" and resid 20 and name HN) (segid " A" and resid 1 and name HE1)
or (segid " A" and resid 20 and name HN) (segid " A" and resid 1 and name HE3)
assign (segid " A" and resid 23 and name HN1) (segid " A" and resid 5 and name HB2) 3.714 1.724 1.724 weight 1.000 ! spec=1H N...0ms), no=471, id=460, vol=2.000000e+00
or (segid " A" and resid 23 and name HN1) (segid " A" and resid 5 and name HB1)
or (segid " A" and resid 17 and name HE22) (segid " A" and resid 17 and name HB1)
assign (segid " A" and resid 12 and name HB2) (segid " A" and resid 12 and name HE1) 3.140 1.232 1.232 weight 1.000 ! spec=1H N...0ms), no=472, id=461, vol=2.851000e+00
or (segid " A" and resid 12 and name HB2) (segid " A" and resid 12 and name HE2)
or (segid " A" and resid 12 and name HB1) (segid " A" and resid 12 and name HE1)
or (segid " A" and resid 12 and name HB1) (segid " A" and resid 12 and name HE2)
assign (segid " A" and resid 11 and name HN) (segid " A" and resid 11 and name HB2) 2.919 1.065 1.065 weight 1.000 ! spec=1H N...0ms), no=474, id=463, vol=7.735000e+00
or (segid " A" and resid 11 and name HN) (segid " A" and resid 17 and name HG1)
assign (segid " A" and resid 3 and name HB2) (segid " A" and resid 10 and name HA) 2.944 1.084 1.084 weight 1.000 ! spec=1H N...0ms), no=499, id=486, vol=2.850000e+00
or (segid " A" and resid 12 and name HB1) (segid " A" and resid 15 and name HA)
assign (segid " A" and resid 3 and name HN) (segid " A" and resid 1 and name HB2) 4.361 2.377 2.377 weight 1.000 ! spec=1H N...0ms), no=515, id=500, vol=8.832000e+00
or (segid " A" and resid 3 and name HN) (segid " A" and resid 1 and name HB1)
or (segid " A" and resid 18 and name HN) (segid " A" and resid 1 and name HB2)
or (segid " A" and resid 18 and name HN) (segid " A" and resid 1 and name HB1)
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 18 and name HB) 4.097 2.098 2.098 weight 1.000 ! spec=1H N...0ms), no=527, id=512, vol=6.896000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 18 and name HB)
or (segid " A" and resid 15 and name HD21) (segid " A" and resid 14 and name HB1)
or (segid " A" and resid 12 and name HD1) (segid " A" and resid 14 and name HB1)
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 14 and name HB1)
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 11 and name HA) 3.105 1.205 1.205 weight 1.000 ! spec=1H N...0ms), no=528, id=513, vol=6.897000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 11 and name HA)
or (segid " A" and resid 12 and name HD1) (segid " A" and resid 16 and name HA)
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 16 and name HA)
assign (segid " A" and resid 3 and name HB2) (segid " A" and resid 2 and name HA) 2.901 1.052 1.052 weight 1.000 ! spec=1H N...0ms), no=564, id=548, vol=2.852000e+00
or (segid " A" and resid 19 and name HB2) (segid " A" and resid 2 and name HA)
assign (segid " A" and resid 13 and name HD1) (segid " A" and resid 14 and name HB1) 3.744 1.752 1.752 weight 1.000 ! spec=1H N...0ms), no=578, id=562, vol=1.713000e+00
or (segid " A" and resid 13 and name HD2) (segid " A" and resid 14 and name HB1)
or (segid " A" and resid 13 and name HD1) (segid " A" and resid 18 and name HB)
or (segid " A" and resid 13 and name HD2) (segid " A" and resid 18 and name HB)
assign (segid " A" and resid 14 and name HD2) (segid " A" and resid 14 and name HB1) 2.685 0.901 0.901 weight 1.000 ! spec=1H N...0ms), no=583, id=567, vol=2.942000e+00
or (segid " A" and resid 14 and name HD1) (segid " A" and resid 14 and name HB1)
or (segid " A" and resid 15 and name HB2) (segid " A" and resid 14 and name HB1)
assign (segid " A" and resid 11 and name HG2) (segid " A" and resid 10 and name HA) 4.447 2.472 2.472 weight 1.000 ! spec=1H N...0ms), no=589, id=573, vol=1.317000e+00
or (segid " A" and resid 18 and name HG11) (segid " A" and resid 10 and name HA)
assign (segid " A" and resid 16 and name HN) (segid " A" and resid 13 and name HB2) 2.837 1.006 1.006 weight 1.000 ! spec=1H N...0ms), no=590, id=574, vol=8.183000e+00
or (segid " A" and resid 16 and name HN) (segid " A" and resid 15 and name HB2)
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 17 and name HG1) 3.036 1.152 1.152 weight 1.000 ! spec=1H N...0ms), no=601, id=585, vol=1.810000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 17 and name HG1)
or (segid " A" and resid 17 and name HE21) (segid " A" and resid 17 and name HG1)
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 10 and name HG2) 3.873 1.875 1.875 weight 1.000 ! spec=1H N...0ms), no=604, id=588, vol=2.195000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 10 and name HG2)
or (segid " A" and resid 17 and name HE21) (segid " A" and resid 10 and name HG2)
assign (segid " A" and resid 17 and name HE22) (segid " A" and resid 17 and name HG1) 3.476 1.511 1.511 weight 1.000 ! spec=1H N...0ms), no=606, id=590, vol=1.829000e+00
or (segid " A" and resid 17 and name HB2) (segid " A" and resid 17 and name HE22)
assign (segid " A" and resid 12 and name HB2) (segid " A" and resid 15 and name HD22) 3.587 1.609 1.609 weight 1.000 ! spec=1H N...0ms), no=638, id=617, vol=2.835000e+00
or (segid " A" and resid 12 and name HB1) (segid " A" and resid 15 and name HD22)
assign (segid " A" and resid 16 and name HB2) (segid " A" and resid 13 and name HN) 2.944 1.084 1.084 weight 1.000 ! spec=1H N...0ms), no=646, id=625, vol=3.893000e+00
or (segid " A" and resid 16 and name HB2) (segid " A" and resid 17 and name HN)
or (segid " A" and resid 17 and name HA) (segid " A" and resid 17 and name HN)
assign (segid " A" and resid 13 and name HB2) (segid " A" and resid 16 and name HB2) 3.425 1.467 1.467 weight 1.000 ! spec=1H N...0ms), no=647, id=626, vol=2.934000e+00
or (segid " A" and resid 13 and name HB2) (segid " A" and resid 16 and name HB1)
assign (segid " A" and resid 13 and name HB1) (segid " A" and resid 16 and name HB2) 3.827 1.830 1.830 weight 1.000 ! spec=1H N...0ms), no=649, id=628, vol=3.088000e+00
or (segid " A" and resid 13 and name HB1) (segid " A" and resid 16 and name HB1)
assign (segid " A" and resid 16 and name HB2) (segid " A" and resid 13 and name HN) 3.523 1.552 1.552 weight 1.000 ! spec=1H N...0ms), no=653, id=631, vol=9.066000e+00
or (segid " A" and resid 16 and name HB1) (segid " A" and resid 13 and name HN)
or (segid " A" and resid 16 and name HB2) (segid " A" and resid 17 and name HN)
or (segid " A" and resid 17 and name HA) (segid " A" and resid 17 and name HN)
assign (segid " A" and resid 13 and name HN) (segid " A" and resid 12 and name HB1) 2.846 1.012 1.012 weight 1.000 ! spec=1H N...0ms), no=656, id=634, vol=9.029000e+00
or (segid " A" and resid 12 and name HN) (segid " A" and resid 12 and name HB2)
assign (segid " A" and resid 4 and name HA2) (segid " A" and resid 3 and name HB1) 3.916 1.916 1.916 weight 1.000 ! spec=1H N...0ms), no=674, id=650, vol=3.181000e+00
or (segid " A" and resid 4 and name HA2) (segid " A" and resid 22 and name HB2)
assign (segid " A" and resid 22 and name HB2) (segid " A" and resid 4 and name HA1) 3.554 1.579 1.579 weight 1.000 ! spec=1H N...0ms), no=675, id=651, vol=3.182000e+00
or (segid " A" and resid 3 and name HB1) (segid " A" and resid 4 and name HA1)
assign (segid " A" and resid 4 and name HA2) (segid " A" and resid 2 and name HB1) 3.966 1.966 1.966 weight 1.000 ! spec=1H N...0ms), no=676, id=652, vol=3.253000e+00
or (segid " A" and resid 20 and name HB2) (segid " A" and resid 17 and name HA)
assign (segid " A" and resid 3 and name HB2) (segid " A" and resid 11 and name HG2) 3.812 1.817 1.817 weight 1.000 ! spec=1H N...0ms), no=686, id=658, vol=2.844000e+00
or (segid " A" and resid 12 and name HB2) (segid " A" and resid 18 and name HG11)
or (segid " A" and resid 12 and name HB1) (segid " A" and resid 18 and name HG11)
or (segid " A" and resid 19 and name HB2) (segid " A" and resid 18 and name HG11)
assign (segid " A" and resid 23 and name HN2) (segid " A" and resid 21 and name HA) 2.631 0.865 0.865 weight 1.000 ! spec=1H N...0ms), no=710, id=679, vol=7.701000e+00
or (segid " A" and resid 23 and name HN2) (segid " A" and resid 22 and name HA)
assign (segid " A" and resid 15 and name HD22) (segid " A" and resid 16 and name HB1) 4.274 2.283 2.283 weight 1.000 ! spec=1H N...0ms), no=726, id=694, vol=7.558000e+00
or (segid " A" and resid 7 and name HN) (segid " A" and resid 8 and name HB2)
or (segid " A" and resid 7 and name HN) (segid " A" and resid 8 and name HB1)
# Restraints file 3: D_1000244946_mr_P2.cns.V1
assign (segid " A" and resid 9 and name HN) (segid " A" and resid 9 and name HB2) 3.158 1.247 1.247 weight 1.000 ! spec=1H N...0ms), no=3, id=0, vol=8.445000e+00
assign (segid " A" and resid 6 and name HN) (segid " A" and resid 5 and name HG2) 2.968 1.101 1.101 weight 1.000 ! spec=1H N...0ms), no=6, id=1, vol=9.057000e+00
or (segid " A" and resid 6 and name HN) (segid " A" and resid 5 and name HG1)
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 10 and name HG2) 3.493 1.525 1.525 weight 1.000 ! spec=1H N...0ms), no=8, id=3, vol=6.897000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 10 and name HG2)
assign (segid " A" and resid 21 and name HN) (segid " A" and resid 10 and name HG2) 3.463 1.499 1.499 weight 1.000 ! spec=1H N...0ms), no=9, id=4, vol=9.286000e+00
assign (segid " A" and resid 2 and name HN) (segid " A" and resid 1 and name HB2) 2.965 1.099 1.099 weight 1.000 ! spec=1H N...0ms), no=10, id=5, vol=9.210000e+00
or (segid " A" and resid 2 and name HN) (segid " A" and resid 1 and name HB1)
assign (segid " A" and resid 12 and name HE1) (segid " A" and resid 10 and name HG2) 2.846 1.012 1.012 weight 1.000 ! spec=1H N...0ms), no=11, id=6, vol=6.812000e+00
or (segid " A" and resid 12 and name HE2) (segid " A" and resid 10 and name HG2)
assign (segid " A" and resid 21 and name HN) (segid " A" and resid 10 and name HB2) 3.716 1.726 1.726 weight 1.000 ! spec=1H N...0ms), no=12, id=7, vol=9.285000e+00
assign (segid " A" and resid 11 and name HN) (segid " A" and resid 10 and name HB2) 2.453 0.752 0.752 weight 1.000 ! spec=1H N...0ms), no=13, id=8, vol=7.735000e+00
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 10 and name HB2) 3.016 1.137 1.137 weight 1.000 ! spec=1H N...0ms), no=14, id=9, vol=6.893000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 10 and name HB2)
assign (segid " A" and resid 12 and name HE1) (segid " A" and resid 10 and name HB2) 2.611 0.852 0.852 weight 1.000 ! spec=1H N...0ms), no=15, id=10, vol=6.813000e+00
or (segid " A" and resid 12 and name HE2) (segid " A" and resid 10 and name HB2)
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 10 and name HG1) 2.936 1.077 1.077 weight 1.000 ! spec=1H N...0ms), no=18, id=13, vol=6.894000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 10 and name HG1)
assign (segid " A" and resid 12 and name HE1) (segid " A" and resid 10 and name HG1) 2.450 0.750 0.750 weight 1.000 ! spec=1H N...0ms), no=19, id=14, vol=6.813000e+00
or (segid " A" and resid 12 and name HE2) (segid " A" and resid 10 and name HG1)
assign (segid " A" and resid 11 and name HN) (segid " A" and resid 11 and name HB1) 2.651 0.878 0.878 weight 1.000 ! spec=1H N...0ms), no=20, id=15, vol=7.735000e+00
assign (segid " A" and resid 12 and name HE1) (segid " A" and resid 17 and name HB2) 2.526 0.798 0.798 weight 1.000 ! spec=1H N...0ms), no=21, id=16, vol=6.813000e+00
or (segid " A" and resid 12 and name HE2) (segid " A" and resid 17 and name HB2)
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 17 and name HB2) 2.844 1.011 1.011 weight 1.000 ! spec=1H N...0ms), no=23, id=18, vol=6.894000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 17 and name HB2)
assign (segid " A" and resid 17 and name HE22) (segid " A" and resid 17 and name HG1) 3.467 1.503 1.503 weight 1.000 ! spec=1H N...0ms), no=24, id=19, vol=7.234000e+00
assign (segid " A" and resid 15 and name HN) (segid " A" and resid 14 and name HB1) 2.332 0.680 0.680 weight 1.000 ! spec=1H N...0ms), no=29, id=24, vol=8.628000e+00
assign (segid " A" and resid 14 and name HE) (segid " A" and resid 14 and name HB2) 3.569 1.593 1.593 weight 1.000 ! spec=1H N...0ms), no=31, id=26, vol=6.984000e+00
assign (segid " A" and resid 15 and name HN) (segid " A" and resid 14 and name HB2) 2.427 0.736 0.736 weight 1.000 ! spec=1H N...0ms), no=32, id=27, vol=8.628000e+00
assign (segid " A" and resid 13 and name HE1) (segid " A" and resid 14 and name HB2) 3.795 1.801 1.801 weight 1.000 ! spec=1H N...0ms), no=33, id=28, vol=7.385000e+00
or (segid " A" and resid 13 and name HE2) (segid " A" and resid 14 and name HB2)
assign (segid " A" and resid 13 and name HD1) (segid " A" and resid 14 and name HB2) 3.149 1.239 1.239 weight 1.000 ! spec=1H N...0ms), no=34, id=29, vol=7.330000e+00
or (segid " A" and resid 13 and name HD2) (segid " A" and resid 14 and name HB2)
assign (segid " A" and resid 11 and name HN) (segid " A" and resid 11 and name HG1) 3.248 1.319 1.319 weight 1.000 ! spec=1H N...0ms), no=35, id=30, vol=7.736000e+00
assign (segid " A" and resid 13 and name HD1) (segid " A" and resid 14 and name HG1) 3.585 1.606 1.606 weight 1.000 ! spec=1H N...0ms), no=37, id=32, vol=7.326000e+00
or (segid " A" and resid 13 and name HD2) (segid " A" and resid 14 and name HG1)
assign (segid " A" and resid 14 and name HE) (segid " A" and resid 14 and name HG1) 3.406 1.450 1.450 weight 1.000 ! spec=1H N...0ms), no=38, id=33, vol=6.981000e+00
assign (segid " A" and resid 18 and name HN) (segid " A" and resid 18 and name HG12) 2.712 0.919 0.919 weight 1.000 ! spec=1H N...0ms), no=39, id=34, vol=8.855000e+00
assign (segid " A" and resid 13 and name HE1) (segid " A" and resid 14 and name HG2) 3.691 1.703 1.703 weight 1.000 ! spec=1H N...0ms), no=41, id=36, vol=7.389000e+00
or (segid " A" and resid 13 and name HE2) (segid " A" and resid 14 and name HG2)
assign (segid " A" and resid 13 and name HD1) (segid " A" and resid 14 and name HG2) 3.504 1.534 1.534 weight 1.000 ! spec=1H N...0ms), no=42, id=37, vol=7.325000e+00
or (segid " A" and resid 13 and name HD2) (segid " A" and resid 14 and name HG2)
assign (segid " A" and resid 3 and name HN) (segid " A" and resid 3 and name HB2) 2.110 0.557 0.557 weight 1.000 ! spec=1H N...0ms), no=44, id=39, vol=8.829000e+00
assign (segid " A" and resid 4 and name HN) (segid " A" and resid 3 and name HB2) 2.841 1.009 1.009 weight 1.000 ! spec=1H N...0ms), no=45, id=40, vol=8.668000e+00
assign (segid " A" and resid 20 and name HN) (segid " A" and resid 19 and name HB2) 2.334 0.681 0.681 weight 1.000 ! spec=1H N...0ms), no=46, id=41, vol=8.376000e+00
assign (segid " A" and resid 21 and name HN) (segid " A" and resid 21 and name HB2) 2.164 0.586 0.586 weight 1.000 ! spec=1H N...0ms), no=49, id=44, vol=9.286000e+00
assign (segid " A" and resid 2 and name HN) (segid " A" and resid 2 and name HB2) 2.414 0.729 0.729 weight 1.000 ! spec=1H N...0ms), no=51, id=46, vol=9.211000e+00
assign (segid " A" and resid 3 and name HN) (segid " A" and resid 2 and name HB2) 3.077 1.184 1.184 weight 1.000 ! spec=1H N...0ms), no=52, id=47, vol=8.830000e+00
assign (segid " A" and resid 11 and name HN) (segid " A" and resid 10 and name HB1) 3.033 1.150 1.150 weight 1.000 ! spec=1H N...0ms), no=54, id=49, vol=7.735000e+00
assign (segid " A" and resid 17 and name HE22) (segid " A" and resid 10 and name HB1) 4.037 2.037 2.037 weight 1.000 ! spec=1H N...0ms), no=55, id=50, vol=7.234000e+00
assign (segid " A" and resid 12 and name HE1) (segid " A" and resid 10 and name HB1) 3.508 1.539 1.539 weight 1.000 ! spec=1H N...0ms), no=56, id=51, vol=6.817000e+00
or (segid " A" and resid 12 and name HE2) (segid " A" and resid 10 and name HB1)
assign (segid " A" and resid 2 and name HN) (segid " A" and resid 1 and name HG2) 3.346 1.400 1.400 weight 1.000 ! spec=1H N...0ms), no=57, id=52, vol=9.210000e+00
assign (segid " A" and resid 17 and name HE22) (segid " A" and resid 10 and name HB2) 3.944 1.944 1.944 weight 1.000 ! spec=1H N...0ms), no=58, id=53, vol=7.234000e+00
assign (segid " A" and resid 7 and name HN) (segid " A" and resid 5 and name HB2) 4.061 2.061 2.061 weight 1.000 ! spec=1H N...0ms), no=60, id=55, vol=7.554000e+00
or (segid " A" and resid 7 and name HN) (segid " A" and resid 5 and name HB1)
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 18 and name HG11) 4.021 2.021 2.021 weight 1.000 ! spec=1H N...0ms), no=62, id=57, vol=6.894000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 18 and name HG11)
assign (segid " A" and resid 15 and name HN) (segid " A" and resid 14 and name HG1) 3.839 1.842 1.842 weight 1.000 ! spec=1H N...0ms), no=64, id=59, vol=8.629000e+00
assign (segid " A" and resid 13 and name HE1) (segid " A" and resid 14 and name HG1) 4.032 2.032 2.032 weight 1.000 ! spec=1H N...0ms), no=65, id=60, vol=7.386000e+00
or (segid " A" and resid 13 and name HE2) (segid " A" and resid 14 and name HG1)
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 18 and name HG12) 4.194 2.199 2.199 weight 1.000 ! spec=1H N...0ms), no=66, id=61, vol=6.895000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 18 and name HG12)
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 18 and name HG22) 3.961 1.962 1.962 weight 1.000 ! spec=1H N...0ms), no=68, id=63, vol=6.898000e+00
or (segid " A" and resid 12 and name HD1) (segid " A" and resid 18 and name HG21)
or (segid " A" and resid 12 and name HD1) (segid " A" and resid 18 and name HG23)
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 18 and name HG22)
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 18 and name HG21)
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 18 and name HG23)
assign (segid " A" and resid 13 and name HE1) (segid " A" and resid 18 and name HD12) 3.836 1.839 1.839 weight 1.000 ! spec=1H N...0ms), no=69, id=64, vol=7.389000e+00
or (segid " A" and resid 13 and name HE1) (segid " A" and resid 18 and name HD11)
or (segid " A" and resid 13 and name HE1) (segid " A" and resid 18 and name HD13)
or (segid " A" and resid 13 and name HE2) (segid " A" and resid 18 and name HD12)
or (segid " A" and resid 13 and name HE2) (segid " A" and resid 18 and name HD11)
or (segid " A" and resid 13 and name HE2) (segid " A" and resid 18 and name HD13)
assign (segid " A" and resid 14 and name HE) (segid " A" and resid 14 and name HG2) 3.651 1.666 1.666 weight 1.000 ! spec=1H N...0ms), no=70, id=65, vol=6.982000e+00
assign (segid " A" and resid 13 and name HN) (segid " A" and resid 12 and name HA) 2.390 0.714 0.714 weight 1.000 ! spec=1H N...0ms), no=71, id=66, vol=9.055000e+00
assign (segid " A" and resid 12 and name HN) (segid " A" and resid 12 and name HA) 3.109 1.209 1.209 weight 1.000 ! spec=1H N...0ms), no=72, id=67, vol=9.005000e+00
assign (segid " A" and resid 18 and name HN) (segid " A" and resid 12 and name HA) 2.666 0.889 0.889 weight 1.000 ! spec=1H N...0ms), no=73, id=68, vol=8.856000e+00
assign (segid " A" and resid 16 and name HN) (segid " A" and resid 12 and name HA) 3.625 1.643 1.643 weight 1.000 ! spec=1H N...0ms), no=74, id=69, vol=8.180000e+00
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 12 and name HA) 2.676 0.895 0.895 weight 1.000 ! spec=1H N...0ms), no=75, id=70, vol=6.898000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 12 and name HA)
assign (segid " A" and resid 20 and name HN) (segid " A" and resid 20 and name HA) 2.631 0.865 0.865 weight 1.000 ! spec=1H N...0ms), no=76, id=71, vol=8.371000e+00
assign (segid " A" and resid 11 and name HN) (segid " A" and resid 20 and name HA) 3.262 1.330 1.330 weight 1.000 ! spec=1H N...0ms), no=77, id=72, vol=7.735000e+00
assign (segid " A" and resid 21 and name HN) (segid " A" and resid 20 and name HA) 2.074 0.537 0.537 weight 1.000 ! spec=1H N...0ms), no=78, id=73, vol=9.287000e+00
assign (segid " A" and resid 20 and name HD2) (segid " A" and resid 20 and name HA) 3.735 1.744 1.744 weight 1.000 ! spec=1H N...0ms), no=79, id=74, vol=7.325000e+00
assign (segid " A" and resid 17 and name HE22) (segid " A" and resid 20 and name HA) 4.136 2.138 2.138 weight 1.000 ! spec=1H N...0ms), no=80, id=75, vol=7.238000e+00
assign (segid " A" and resid 20 and name HN) (segid " A" and resid 19 and name HA) 1.920 0.461 0.461 weight 1.000 ! spec=1H N...0ms), no=82, id=77, vol=8.376000e+00
assign (segid " A" and resid 19 and name HN) (segid " A" and resid 19 and name HA) 3.077 1.184 1.184 weight 1.000 ! spec=1H N...0ms), no=83, id=78, vol=7.621000e+00
assign (segid " A" and resid 20 and name HD2) (segid " A" and resid 19 and name HA) 3.309 1.369 1.369 weight 1.000 ! spec=1H N...0ms), no=84, id=79, vol=7.325000e+00
assign (segid " A" and resid 22 and name HN) (segid " A" and resid 2 and name HA) 3.453 1.491 1.491 weight 1.000 ! spec=1H N...0ms), no=85, id=80, vol=9.260000e+00
assign (segid " A" and resid 2 and name HN) (segid " A" and resid 2 and name HA) 2.962 1.097 1.097 weight 1.000 ! spec=1H N...0ms), no=86, id=81, vol=9.210000e+00
assign (segid " A" and resid 12 and name HN) (segid " A" and resid 11 and name HA) 2.589 0.838 0.838 weight 1.000 ! spec=1H N...0ms), no=87, id=82, vol=9.021000e+00
assign (segid " A" and resid 11 and name HN) (segid " A" and resid 11 and name HA) 3.047 1.161 1.161 weight 1.000 ! spec=1H N...0ms), no=88, id=83, vol=7.734000e+00
assign (segid " A" and resid 16 and name HN) (segid " A" and resid 16 and name HA) 3.599 1.619 1.619 weight 1.000 ! spec=1H N...0ms), no=89, id=84, vol=8.184000e+00
assign (segid " A" and resid 9 and name HN) (segid " A" and resid 9 and name HA) 2.418 0.731 0.731 weight 1.000 ! spec=1H N...0ms), no=90, id=85, vol=8.440000e+00
assign (segid " A" and resid 3 and name HN) (segid " A" and resid 3 and name HA) 2.479 0.768 0.768 weight 1.000 ! spec=1H N...0ms), no=91, id=86, vol=8.830000e+00
assign (segid " A" and resid 7 and name HN) (segid " A" and resid 7 and name HA) 2.425 0.735 0.735 weight 1.000 ! spec=1H N...0ms), no=92, id=87, vol=7.552000e+00
assign (segid " A" and resid 8 and name HN) (segid " A" and resid 7 and name HA) 1.966 0.483 0.483 weight 1.000 ! spec=1H N...0ms), no=93, id=88, vol=8.562000e+00
assign (segid " A" and resid 21 and name HN) (segid " A" and resid 10 and name HA) 2.947 1.086 1.086 weight 1.000 ! spec=1H N...0ms), no=94, id=89, vol=9.287000e+00
assign (segid " A" and resid 16 and name HN) (segid " A" and resid 15 and name HA) 2.654 0.880 0.880 weight 1.000 ! spec=1H N...0ms), no=95, id=90, vol=8.183000e+00
assign (segid " A" and resid 11 and name HN) (segid " A" and resid 10 and name HA) 2.110 0.557 0.557 weight 1.000 ! spec=1H N...0ms), no=96, id=91, vol=7.735000e+00
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 15 and name HA) 2.768 0.958 0.958 weight 1.000 ! spec=1H N...0ms), no=97, id=92, vol=6.898000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 15 and name HA)
assign (segid " A" and resid 8 and name HN) (segid " A" and resid 8 and name HA) 2.367 0.700 0.700 weight 1.000 ! spec=1H N...0ms), no=99, id=94, vol=8.560000e+00
assign (segid " A" and resid 2 and name HN) (segid " A" and resid 1 and name HA) 2.142 0.574 0.574 weight 1.000 ! spec=1H N...0ms), no=102, id=97, vol=9.210000e+00
assign (segid " A" and resid 6 and name HN) (segid " A" and resid 5 and name HA) 1.870 0.437 0.437 weight 1.000 ! spec=1H N...0ms), no=103, id=98, vol=9.058000e+00
assign (segid " A" and resid 5 and name HN) (segid " A" and resid 5 and name HA) 2.384 0.710 0.710 weight 1.000 ! spec=1H N...0ms), no=105, id=100, vol=8.746000e+00
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 17 and name HA) 2.593 0.840 0.840 weight 1.000 ! spec=1H N...0ms), no=109, id=104, vol=6.898000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 17 and name HA)
assign (segid " A" and resid 12 and name HE1) (segid " A" and resid 17 and name HA) 2.936 1.077 1.077 weight 1.000 ! spec=1H N...0ms), no=110, id=105, vol=6.816000e+00
or (segid " A" and resid 12 and name HE2) (segid " A" and resid 17 and name HA)
assign (segid " A" and resid 7 and name HN) (segid " A" and resid 6 and name HA1) 2.801 0.981 0.981 weight 1.000 ! spec=1H N...0ms), no=111, id=106, vol=7.557000e+00
assign (segid " A" and resid 8 and name HN) (segid " A" and resid 7 and name HB2) 2.437 0.742 0.742 weight 1.000 ! spec=1H N...0ms), no=114, id=109, vol=8.562000e+00
or (segid " A" and resid 8 and name HN) (segid " A" and resid 7 and name HB1)
assign (segid " A" and resid 7 and name HN) (segid " A" and resid 7 and name HB2) 2.030 0.515 0.515 weight 1.000 ! spec=1H N...0ms), no=115, id=110, vol=7.556000e+00
or (segid " A" and resid 7 and name HN) (segid " A" and resid 7 and name HB1)
assign (segid " A" and resid 12 and name HE1) (segid " A" and resid 10 and name HD2) 3.774 1.780 1.780 weight 1.000 ! spec=1H N...0ms), no=118, id=113, vol=6.814000e+00
or (segid " A" and resid 12 and name HE2) (segid " A" and resid 10 and name HD2)
assign (segid " A" and resid 21 and name HN) (segid " A" and resid 10 and name HD2) 3.182 1.266 1.266 weight 1.000 ! spec=1H N...0ms), no=119, id=114, vol=9.291000e+00
assign (segid " A" and resid 15 and name HN) (segid " A" and resid 14 and name HA) 2.588 0.837 0.837 weight 1.000 ! spec=1H N...0ms), no=121, id=116, vol=8.628000e+00
assign (segid " A" and resid 20 and name HN) (segid " A" and resid 20 and name HB1) 2.999 1.124 1.124 weight 1.000 ! spec=1H N...0ms), no=122, id=117, vol=8.376000e+00
assign (segid " A" and resid 20 and name HD2) (segid " A" and resid 20 and name HB1) 3.047 1.161 1.161 weight 1.000 ! spec=1H N...0ms), no=123, id=118, vol=7.324000e+00
assign (segid " A" and resid 17 and name HE22) (segid " A" and resid 20 and name HB1) 3.792 1.797 1.797 weight 1.000 ! spec=1H N...0ms), no=124, id=119, vol=7.235000e+00
assign (segid " A" and resid 21 and name HN) (segid " A" and resid 21 and name HB1) 2.589 0.838 0.838 weight 1.000 ! spec=1H N...0ms), no=125, id=120, vol=9.286000e+00
assign (segid " A" and resid 20 and name HN) (segid " A" and resid 20 and name HB2) 2.811 0.988 0.988 weight 1.000 ! spec=1H N...0ms), no=128, id=123, vol=8.376000e+00
assign (segid " A" and resid 20 and name HD2) (segid " A" and resid 20 and name HB2) 2.707 0.916 0.916 weight 1.000 ! spec=1H N...0ms), no=129, id=124, vol=7.323000e+00
assign (segid " A" and resid 2 and name HN) (segid " A" and resid 2 and name HB1) 3.019 1.139 1.139 weight 1.000 ! spec=1H N...0ms), no=131, id=126, vol=9.211000e+00
assign (segid " A" and resid 3 and name HN) (segid " A" and resid 2 and name HB1) 2.592 0.839 0.839 weight 1.000 ! spec=1H N...0ms), no=132, id=127, vol=8.829000e+00
assign (segid " A" and resid 4 and name HN) (segid " A" and resid 22 and name HB2) 2.458 0.755 0.755 weight 1.000 ! spec=1H N...0ms), no=133, id=128, vol=8.669000e+00
assign (segid " A" and resid 22 and name HN) (segid " A" and resid 22 and name HB2) 2.349 0.690 0.690 weight 1.000 ! spec=1H N...0ms), no=134, id=129, vol=9.258000e+00
assign (segid " A" and resid 13 and name HE1) (segid " A" and resid 13 and name HB1) 3.066 1.175 1.175 weight 1.000 ! spec=1H N...0ms), no=136, id=131, vol=7.389000e+00
or (segid " A" and resid 13 and name HE2) (segid " A" and resid 13 and name HB1)
assign (segid " A" and resid 13 and name HD1) (segid " A" and resid 13 and name HB1) 2.271 0.644 0.644 weight 1.000 ! spec=1H N...0ms), no=137, id=132, vol=7.333000e+00
or (segid " A" and resid 13 and name HD2) (segid " A" and resid 13 and name HB1)
assign (segid " A" and resid 21 and name HN) (segid " A" and resid 9 and name HB1) 3.598 1.618 1.618 weight 1.000 ! spec=1H N...0ms), no=138, id=133, vol=9.285000e+00
assign (segid " A" and resid 9 and name HN) (segid " A" and resid 9 and name HB1) 2.833 1.003 1.003 weight 1.000 ! spec=1H N...0ms), no=139, id=134, vol=8.440000e+00
assign (segid " A" and resid 14 and name HE) (segid " A" and resid 14 and name HD2) 2.561 0.820 0.820 weight 1.000 ! spec=1H N...0ms), no=143, id=138, vol=6.978000e+00
or (segid " A" and resid 14 and name HE) (segid " A" and resid 14 and name HD1)
assign (segid " A" and resid 13 and name HE1) (segid " A" and resid 14 and name HD2) 2.761 0.953 0.953 weight 1.000 ! spec=1H N...0ms), no=144, id=139, vol=7.385000e+00
or (segid " A" and resid 13 and name HE1) (segid " A" and resid 14 and name HD1)
or (segid " A" and resid 13 and name HE2) (segid " A" and resid 14 and name HD2)
or (segid " A" and resid 13 and name HE2) (segid " A" and resid 14 and name HD1)
assign (segid " A" and resid 18 and name HN) (segid " A" and resid 19 and name HN) 2.596 0.843 0.843 weight 1.000 ! spec=1H N...0ms), no=146, id=141, vol=8.855000e+00
assign (segid " A" and resid 5 and name HN) (segid " A" and resid 7 and name HN) 4.004 2.004 2.004 weight 1.000 ! spec=1H N...0ms), no=148, id=143, vol=8.745000e+00
assign (segid " A" and resid 21 and name HN) (segid " A" and resid 20 and name HD2) 3.858 1.860 1.860 weight 1.000 ! spec=1H N...0ms), no=150, id=145, vol=9.286000e+00
assign (segid " A" and resid 16 and name HN) (segid " A" and resid 12 and name HD1) 3.009 1.132 1.132 weight 1.000 ! spec=1H N...0ms), no=154, id=149, vol=8.179000e+00
or (segid " A" and resid 16 and name HN) (segid " A" and resid 12 and name HD2)
assign (segid " A" and resid 21 and name HN) (segid " A" and resid 20 and name HN) 3.718 1.728 1.728 weight 1.000 ! spec=1H N...0ms), no=155, id=150, vol=9.286000e+00
assign (segid " A" and resid 22 and name HN) (segid " A" and resid 3 and name HN) 3.372 1.422 1.422 weight 1.000 ! spec=1H N...0ms), no=159, id=154, vol=8.832000e+00
assign (segid " A" and resid 15 and name HN) (segid " A" and resid 14 and name HN) 3.058 1.169 1.169 weight 1.000 ! spec=1H N...0ms), no=160, id=155, vol=8.628000e+00
assign (segid " A" and resid 13 and name HN) (segid " A" and resid 16 and name HN) 2.685 0.901 0.901 weight 1.000 ! spec=1H N...0ms), no=161, id=156, vol=8.179000e+00
assign (segid " A" and resid 13 and name HD1) (segid " A" and resid 14 and name HN) 3.302 1.363 1.363 weight 1.000 ! spec=1H N...0ms), no=164, id=159, vol=7.333000e+00
or (segid " A" and resid 13 and name HD2) (segid " A" and resid 14 and name HN)
assign (segid " A" and resid 6 and name HN) (segid " A" and resid 7 and name HN) 2.241 0.628 0.628 weight 1.000 ! spec=1H N...0ms), no=165, id=160, vol=7.556000e+00
assign (segid " A" and resid 15 and name HD22) (segid " A" and resid 15 and name HN) 3.895 1.896 1.896 weight 1.000 ! spec=1H N...0ms), no=167, id=162, vol=7.574000e+00
assign (segid " A" and resid 8 and name HN) (segid " A" and resid 7 and name HN) 3.303 1.364 1.364 weight 1.000 ! spec=1H N...0ms), no=168, id=163, vol=7.555000e+00
assign (segid " A" and resid 12 and name HN) (segid " A" and resid 12 and name HD1) 2.663 0.887 0.887 weight 1.000 ! spec=1H N...0ms), no=169, id=164, vol=6.898000e+00
or (segid " A" and resid 12 and name HN) (segid " A" and resid 12 and name HD2)
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 18 and name HN) 3.614 1.633 1.633 weight 1.000 ! spec=1H N...0ms), no=171, id=166, vol=6.900000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 18 and name HN)
assign (segid " A" and resid 12 and name HE1) (segid " A" and resid 18 and name HN) 4.047 2.048 2.048 weight 1.000 ! spec=1H N...0ms), no=172, id=167, vol=6.819000e+00
or (segid " A" and resid 12 and name HE2) (segid " A" and resid 18 and name HN)
assign (segid " A" and resid 15 and name HN) (segid " A" and resid 12 and name HD1) 3.514 1.544 1.544 weight 1.000 ! spec=1H N...0ms), no=173, id=168, vol=6.895000e+00
or (segid " A" and resid 15 and name HN) (segid " A" and resid 12 and name HD2)
assign (segid " A" and resid 20 and name HN) (segid " A" and resid 20 and name HD2) 3.033 1.150 1.150 weight 1.000 ! spec=1H N...0ms), no=174, id=169, vol=7.325000e+00
assign (segid " A" and resid 22 and name HN) (segid " A" and resid 22 and name HB1) 2.962 1.097 1.097 weight 1.000 ! spec=1H N...0ms), no=182, id=177, vol=3.632000e+00
assign (segid " A" and resid 13 and name HB2) (segid " A" and resid 14 and name HN) 3.594 1.615 1.615 weight 1.000 ! spec=1H N...0ms), no=186, id=181, vol=2.917000e+00
assign (segid " A" and resid 14 and name HN) (segid " A" and resid 14 and name HA) 2.500 0.781 0.781 weight 1.000 ! spec=1H N...0ms), no=187, id=182, vol=3.592000e+00
assign (segid " A" and resid 13 and name HB1) (segid " A" and resid 14 and name HN) 3.589 1.611 1.611 weight 1.000 ! spec=1H N...0ms), no=188, id=183, vol=3.099000e+00
assign (segid " A" and resid 13 and name HB2) (segid " A" and resid 13 and name HN) 2.881 1.038 1.038 weight 1.000 ! spec=1H N...0ms), no=193, id=188, vol=2.917000e+00
assign (segid " A" and resid 13 and name HN) (segid " A" and resid 12 and name HB1) 2.624 0.861 0.861 weight 1.000 ! spec=1H N...0ms), no=194, id=189, vol=2.868000e+00
assign (segid " A" and resid 12 and name HN) (segid " A" and resid 12 and name HB2) 2.466 0.760 0.760 weight 1.000 ! spec=1H N...0ms), no=195, id=190, vol=2.851000e+00
assign (segid " A" and resid 18 and name HN) (segid " A" and resid 18 and name HA) 2.799 0.979 0.979 weight 1.000 ! spec=1H N...0ms), no=197, id=192, vol=4.206000e+00
assign (segid " A" and resid 18 and name HN) (segid " A" and resid 17 and name HA) 2.279 0.649 0.649 weight 1.000 ! spec=1H N...0ms), no=198, id=193, vol=3.881000e+00
assign (segid " A" and resid 5 and name HN) (segid " A" and resid 7 and name HB2) 3.830 1.834 1.834 weight 1.000 ! spec=1H N...0ms), no=203, id=198, vol=3.665000e+00
or (segid " A" and resid 5 and name HN) (segid " A" and resid 7 and name HB1)
assign (segid " A" and resid 5 and name HN) (segid " A" and resid 4 and name HA1) 2.102 0.552 0.552 weight 1.000 ! spec=1H N...0ms), no=205, id=200, vol=3.971000e+00
assign (segid " A" and resid 4 and name HN) (segid " A" and resid 2 and name HB2) 3.606 1.625 1.625 weight 1.000 ! spec=1H N...0ms), no=208, id=203, vol=2.752000e+00
assign (segid " A" and resid 15 and name HN) (segid " A" and resid 15 and name HB1) 2.741 0.939 0.939 weight 1.000 ! spec=1H N...0ms), no=211, id=206, vol=3.012000e+00
assign (segid " A" and resid 15 and name HB1) (segid " A" and resid 16 and name HN) 3.197 1.277 1.277 weight 1.000 ! spec=1H N...0ms), no=219, id=213, vol=3.011000e+00
assign (segid " A" and resid 19 and name HB2) (segid " A" and resid 19 and name HN) 3.055 1.166 1.166 weight 1.000 ! spec=1H N...0ms), no=221, id=215, vol=2.828000e+00
assign (segid " A" and resid 19 and name HB1) (segid " A" and resid 19 and name HN) 3.568 1.592 1.592 weight 1.000 ! spec=1H N...0ms), no=222, id=216, vol=3.196000e+00
assign (segid " A" and resid 19 and name HN) (segid " A" and resid 18 and name HA) 3.212 1.290 1.290 weight 1.000 ! spec=1H N...0ms), no=223, id=217, vol=4.208000e+00
assign (segid " A" and resid 15 and name HD22) (segid " A" and resid 15 and name HB1) 3.009 1.132 1.132 weight 1.000 ! spec=1H N...0ms), no=224, id=218, vol=3.011000e+00
assign (segid " A" and resid 13 and name HE1) (segid " A" and resid 13 and name HB2) 3.207 1.286 1.286 weight 1.000 ! spec=1H N...0ms), no=232, id=226, vol=2.917000e+00
or (segid " A" and resid 13 and name HE2) (segid " A" and resid 13 and name HB2)
assign (segid " A" and resid 17 and name HE21) (segid " A" and resid 20 and name HB2) 3.794 1.799 1.799 weight 1.000 ! spec=1H N...0ms), no=240, id=234, vol=3.259000e+00
assign (segid " A" and resid 12 and name HB2) (segid " A" and resid 12 and name HE1) 3.235 1.308 1.308 weight 1.000 ! spec=1H N...0ms), no=244, id=238, vol=2.817000e+00
or (segid " A" and resid 12 and name HB2) (segid " A" and resid 12 and name HE2)
assign (segid " A" and resid 14 and name HB1) (segid " A" and resid 14 and name HN) 3.624 1.641 1.641 weight 1.000 ! spec=1H N...0ms), no=247, id=241, vol=1.713000e+00
assign (segid " A" and resid 14 and name HB2) (segid " A" and resid 14 and name HN) 3.558 1.583 1.583 weight 1.000 ! spec=1H N...0ms), no=248, id=242, vol=1.600000e+00
assign (segid " A" and resid 17 and name HN) (segid " A" and resid 17 and name HB2) 2.809 0.987 0.987 weight 1.000 ! spec=1H N...0ms), no=250, id=244, vol=1.848000e+00
assign (segid " A" and resid 17 and name HG2) (segid " A" and resid 17 and name HN) 3.555 1.580 1.580 weight 1.000 ! spec=1H N...0ms), no=251, id=245, vol=1.767000e+00
assign (segid " A" and resid 18 and name HD12) (segid " A" and resid 13 and name HN) 3.659 1.674 1.674 weight 1.000 ! spec=1H N...0ms), no=252, id=246, vol=7.690000e-01
or (segid " A" and resid 18 and name HD11) (segid " A" and resid 13 and name HN)
or (segid " A" and resid 18 and name HD13) (segid " A" and resid 13 and name HN)
assign (segid " A" and resid 18 and name HG12) (segid " A" and resid 13 and name HN) 3.575 1.597 1.597 weight 1.000 ! spec=1H N...0ms), no=253, id=247, vol=9.760000e-01
assign (segid " A" and resid 13 and name HN) (segid " A" and resid 18 and name HG22) 3.266 1.333 1.333 weight 1.000 ! spec=1H N...0ms), no=254, id=248, vol=8.560000e-01
or (segid " A" and resid 13 and name HN) (segid " A" and resid 18 and name HG21)
or (segid " A" and resid 13 and name HN) (segid " A" and resid 18 and name HG23)
assign (segid " A" and resid 12 and name HN) (segid " A" and resid 11 and name HB2) 2.942 1.082 1.082 weight 1.000 ! spec=1H N...0ms), no=256, id=250, vol=1.810000e+00
assign (segid " A" and resid 17 and name HB1) (segid " A" and resid 18 and name HN) 3.763 1.770 1.770 weight 1.000 ! spec=1H N...0ms), no=257, id=251, vol=2.006000e+00
assign (segid " A" and resid 18 and name HN) (segid " A" and resid 18 and name HB) 2.603 0.847 0.847 weight 1.000 ! spec=1H N...0ms), no=260, id=254, vol=1.730000e+00
assign (segid " A" and resid 18 and name HN) (segid " A" and resid 18 and name HG11) 2.901 1.052 1.052 weight 1.000 ! spec=1H N...0ms), no=261, id=255, vol=1.318000e+00
assign (segid " A" and resid 18 and name HN) (segid " A" and resid 18 and name HG22) 2.891 1.045 1.045 weight 1.000 ! spec=1H N...0ms), no=263, id=257, vol=8.560000e-01
or (segid " A" and resid 18 and name HN) (segid " A" and resid 18 and name HG21)
or (segid " A" and resid 18 and name HN) (segid " A" and resid 18 and name HG23)
assign (segid " A" and resid 18 and name HD12) (segid " A" and resid 18 and name HN) 3.249 1.320 1.320 weight 1.000 ! spec=1H N...0ms), no=264, id=258, vol=7.740000e-01
or (segid " A" and resid 18 and name HD11) (segid " A" and resid 18 and name HN)
or (segid " A" and resid 18 and name HD13) (segid " A" and resid 18 and name HN)
assign (segid " A" and resid 5 and name HN) (segid " A" and resid 5 and name HB2) 2.052 0.526 0.526 weight 1.000 ! spec=1H N...0ms), no=265, id=259, vol=2.000000e+00
or (segid " A" and resid 5 and name HN) (segid " A" and resid 5 and name HB1)
assign (segid " A" and resid 10 and name HG1) (segid " A" and resid 11 and name HN) 3.552 1.577 1.577 weight 1.000 ! spec=1H N...0ms), no=269, id=263, vol=1.994000e+00
assign (segid " A" and resid 18 and name HG22) (segid " A" and resid 19 and name HN) 3.423 1.464 1.464 weight 1.000 ! spec=1H N...0ms), no=275, id=269, vol=8.580000e-01
or (segid " A" and resid 18 and name HG21) (segid " A" and resid 19 and name HN)
or (segid " A" and resid 18 and name HG23) (segid " A" and resid 19 and name HN)
assign (segid " A" and resid 18 and name HD12) (segid " A" and resid 19 and name HN) 3.975 1.975 1.975 weight 1.000 ! spec=1H N...0ms), no=276, id=270, vol=7.700000e-01
or (segid " A" and resid 18 and name HD11) (segid " A" and resid 19 and name HN)
or (segid " A" and resid 18 and name HD13) (segid " A" and resid 19 and name HN)
assign (segid " A" and resid 11 and name HB1) (segid " A" and resid 19 and name HN) 3.273 1.339 1.339 weight 1.000 ! spec=1H N...0ms), no=277, id=271, vol=1.850000e+00
assign (segid " A" and resid 17 and name HG1) (segid " A" and resid 19 and name HN) 3.227 1.301 1.301 weight 1.000 ! spec=1H N...0ms), no=278, id=272, vol=1.819000e+00
assign (segid " A" and resid 19 and name HN) (segid " A" and resid 18 and name HB) 2.888 1.043 1.043 weight 1.000 ! spec=1H N...0ms), no=279, id=273, vol=1.732000e+00
assign (segid " A" and resid 18 and name HG11) (segid " A" and resid 19 and name HN) 3.461 1.497 1.497 weight 1.000 ! spec=1H N...0ms), no=280, id=274, vol=1.317000e+00
assign (segid " A" and resid 17 and name HG2) (segid " A" and resid 17 and name HE21) 3.187 1.269 1.269 weight 1.000 ! spec=1H N...0ms), no=282, id=276, vol=1.764000e+00
assign (segid " A" and resid 17 and name HE21) (segid " A" and resid 17 and name HB2) 2.974 1.106 1.106 weight 1.000 ! spec=1H N...0ms), no=284, id=278, vol=1.848000e+00
assign (segid " A" and resid 5 and name HN) (segid " A" and resid 5 and name HG2) 2.710 0.918 0.918 weight 1.000 ! spec=1H N...0ms), no=290, id=282, vol=2.344000e+00
or (segid " A" and resid 5 and name HN) (segid " A" and resid 5 and name HG1)
assign (segid " A" and resid 17 and name HA) (segid " A" and resid 12 and name HA) 2.520 0.794 0.794 weight 1.000 ! spec=1H N...0ms), no=293, id=285, vol=3.882000e+00
assign (segid " A" and resid 20 and name HB1) (segid " A" and resid 20 and name HA) 2.403 0.722 0.722 weight 1.000 ! spec=1H N...0ms), no=294, id=286, vol=3.511000e+00
assign (segid " A" and resid 22 and name HB1) (segid " A" and resid 22 and name HA) 2.335 0.681 0.681 weight 1.000 ! spec=1H N...0ms), no=295, id=287, vol=3.624000e+00
assign (segid " A" and resid 12 and name HB2) (segid " A" and resid 12 and name HA) 2.452 0.751 0.751 weight 1.000 ! spec=1H N...0ms), no=297, id=289, vol=2.818000e+00
assign (segid " A" and resid 10 and name HB1) (segid " A" and resid 20 and name HA) 2.335 0.682 0.682 weight 1.000 ! spec=1H N...0ms), no=298, id=290, vol=2.739000e+00
assign (segid " A" and resid 19 and name HB1) (segid " A" and resid 19 and name HA) 2.155 0.580 0.580 weight 1.000 ! spec=1H N...0ms), no=300, id=291, vol=3.195000e+00
assign (segid " A" and resid 19 and name HB2) (segid " A" and resid 19 and name HA) 2.099 0.551 0.551 weight 1.000 ! spec=1H N...0ms), no=301, id=292, vol=2.853000e+00
assign (segid " A" and resid 2 and name HB2) (segid " A" and resid 2 and name HA) 2.656 0.882 0.882 weight 1.000 ! spec=1H N...0ms), no=303, id=294, vol=2.754000e+00
assign (segid " A" and resid 3 and name HB2) (segid " A" and resid 21 and name HA) 3.051 1.163 1.163 weight 1.000 ! spec=1H N...0ms), no=304, id=295, vol=2.842000e+00
assign (segid " A" and resid 13 and name HB2) (segid " A" and resid 13 and name HA) 3.466 1.501 1.501 weight 1.000 ! spec=1H N...0ms), no=305, id=296, vol=2.916000e+00
assign (segid " A" and resid 3 and name HB1) (segid " A" and resid 3 and name HA) 2.265 0.641 0.641 weight 1.000 ! spec=1H N...0ms), no=306, id=297, vol=3.200000e+00
assign (segid " A" and resid 11 and name HB2) (segid " A" and resid 11 and name HA) 2.700 0.912 0.912 weight 1.000 ! spec=1H N...0ms), no=308, id=298, vol=1.808000e+00
assign (segid " A" and resid 11 and name HG1) (segid " A" and resid 11 and name HA) 3.182 1.266 1.266 weight 1.000 ! spec=1H N...0ms), no=309, id=299, vol=1.455000e+00
assign (segid " A" and resid 11 and name HG2) (segid " A" and resid 11 and name HA) 2.936 1.077 1.077 weight 1.000 ! spec=1H N...0ms), no=310, id=300, vol=1.313000e+00
assign (segid " A" and resid 11 and name HB1) (segid " A" and resid 11 and name HA) 2.876 1.034 1.034 weight 1.000 ! spec=1H N...0ms), no=311, id=301, vol=1.853000e+00
assign (segid " A" and resid 18 and name HB) (segid " A" and resid 18 and name HA) 2.343 0.686 0.686 weight 1.000 ! spec=1H N...0ms), no=312, id=302, vol=1.726000e+00
assign (segid " A" and resid 18 and name HG11) (segid " A" and resid 18 and name HA) 3.114 1.212 1.212 weight 1.000 ! spec=1H N...0ms), no=313, id=303, vol=1.317000e+00
assign (segid " A" and resid 18 and name HG22) (segid " A" and resid 18 and name HA) 2.293 0.657 0.657 weight 1.000 ! spec=1H N...0ms), no=315, id=305, vol=8.560000e-01
or (segid " A" and resid 18 and name HG21) (segid " A" and resid 18 and name HA)
or (segid " A" and resid 18 and name HG23) (segid " A" and resid 18 and name HA)
assign (segid " A" and resid 5 and name HB2) (segid " A" and resid 5 and name HA) 2.076 0.539 0.539 weight 1.000 ! spec=1H N...0ms), no=317, id=307, vol=2.006000e+00
or (segid " A" and resid 5 and name HB1) (segid " A" and resid 5 and name HA)
assign (segid " A" and resid 17 and name HG2) (segid " A" and resid 17 and name HA) 2.768 0.958 0.958 weight 1.000 ! spec=1H N...0ms), no=320, id=310, vol=1.767000e+00
assign (segid " A" and resid 17 and name HB2) (segid " A" and resid 17 and name HA) 2.524 0.796 0.796 weight 1.000 ! spec=1H N...0ms), no=321, id=311, vol=1.849000e+00
assign (segid " A" and resid 17 and name HG1) (segid " A" and resid 17 and name HA) 2.603 0.847 0.847 weight 1.000 ! spec=1H N...0ms), no=322, id=312, vol=1.815000e+00
assign (segid " A" and resid 14 and name HB1) (segid " A" and resid 14 and name HA) 2.509 0.787 0.787 weight 1.000 ! spec=1H N...0ms), no=324, id=314, vol=1.714000e+00
assign (segid " A" and resid 14 and name HB2) (segid " A" and resid 14 and name HA) 2.662 0.886 0.886 weight 1.000 ! spec=1H N...0ms), no=325, id=315, vol=1.606000e+00
assign (segid " A" and resid 18 and name HG12) (segid " A" and resid 12 and name HA) 3.278 1.343 1.343 weight 1.000 ! spec=1H N...0ms), no=327, id=317, vol=9.740000e-01
assign (segid " A" and resid 18 and name HG22) (segid " A" and resid 12 and name HA) 3.510 1.540 1.540 weight 1.000 ! spec=1H N...0ms), no=328, id=318, vol=8.580000e-01
or (segid " A" and resid 18 and name HG21) (segid " A" and resid 12 and name HA)
or (segid " A" and resid 18 and name HG23) (segid " A" and resid 12 and name HA)
assign (segid " A" and resid 18 and name HD12) (segid " A" and resid 12 and name HA) 3.632 1.649 1.649 weight 1.000 ! spec=1H N...0ms), no=329, id=319, vol=7.690000e-01
or (segid " A" and resid 18 and name HD11) (segid " A" and resid 12 and name HA)
or (segid " A" and resid 18 and name HD13) (segid " A" and resid 12 and name HA)
assign (segid " A" and resid 18 and name HD12) (segid " A" and resid 19 and name HB1) 3.848 1.851 1.851 weight 1.000 ! spec=1H N...0ms), no=331, id=320, vol=7.660000e-01
or (segid " A" and resid 18 and name HD11) (segid " A" and resid 19 and name HB1)
or (segid " A" and resid 18 and name HD13) (segid " A" and resid 19 and name HB1)
assign (segid " A" and resid 10 and name HD1) (segid " A" and resid 10 and name HG2) 2.694 0.907 0.907 weight 1.000 ! spec=1H N...0ms), no=333, id=322, vol=3.851000e+00
assign (segid " A" and resid 10 and name HD1) (segid " A" and resid 10 and name HB2) 3.093 1.196 1.196 weight 1.000 ! spec=1H N...0ms), no=335, id=324, vol=3.853000e+00
assign (segid " A" and resid 10 and name HD2) (segid " A" and resid 10 and name HB2) 3.246 1.317 1.317 weight 1.000 ! spec=1H N...0ms), no=336, id=325, vol=3.607000e+00
assign (segid " A" and resid 17 and name HA) (segid " A" and resid 17 and name HB1) 2.833 1.003 1.003 weight 1.000 ! spec=1H N...0ms), no=338, id=327, vol=3.894000e+00
assign (segid " A" and resid 10 and name HG1) (segid " A" and resid 10 and name HD1) 2.320 0.673 0.673 weight 1.000 ! spec=1H N...0ms), no=339, id=328, vol=3.853000e+00
assign (segid " A" and resid 14 and name HG1) (segid " A" and resid 14 and name HA) 2.896 1.048 1.048 weight 1.000 ! spec=1H N...0ms), no=346, id=335, vol=3.592000e+00
assign (segid " A" and resid 18 and name HG12) (segid " A" and resid 18 and name HA) 2.947 1.086 1.086 weight 1.000 ! spec=1H N...0ms), no=347, id=336, vol=4.207000e+00
assign (segid " A" and resid 18 and name HG22) (segid " A" and resid 16 and name HB2) 3.424 1.465 1.465 weight 1.000 ! spec=1H N...0ms), no=350, id=339, vol=3.908000e+00
or (segid " A" and resid 18 and name HG21) (segid " A" and resid 16 and name HB2)
or (segid " A" and resid 18 and name HG23) (segid " A" and resid 16 and name HB2)
assign (segid " A" and resid 1 and name HA) (segid " A" and resid 2 and name HB2) 3.705 1.716 1.716 weight 1.000 ! spec=1H N...0ms), no=351, id=340, vol=4.155000e+00
assign (segid " A" and resid 1 and name HA) (segid " A" and resid 1 and name HG2) 2.971 1.103 1.103 weight 1.000 ! spec=1H N...0ms), no=352, id=341, vol=4.154000e+00
assign (segid " A" and resid 10 and name HD2) (segid " A" and resid 10 and name HB1) 2.826 0.998 0.998 weight 1.000 ! spec=1H N...0ms), no=354, id=343, vol=3.608000e+00
assign (segid " A" and resid 11 and name HE2) (segid " A" and resid 11 and name HG2) 2.953 1.090 1.090 weight 1.000 ! spec=1H N...0ms), no=357, id=346, vol=2.934000e+00
assign (segid " A" and resid 14 and name HD2) (segid " A" and resid 14 and name HG1) 3.062 1.172 1.172 weight 1.000 ! spec=1H N...0ms), no=358, id=347, vol=2.945000e+00
or (segid " A" and resid 14 and name HD1) (segid " A" and resid 14 and name HG1)
assign (segid " A" and resid 13 and name HB1) (segid " A" and resid 18 and name HG12) 3.289 1.352 1.352 weight 1.000 ! spec=1H N...0ms), no=359, id=348, vol=3.103000e+00
assign (segid " A" and resid 13 and name HB2) (segid " A" and resid 18 and name HG12) 3.378 1.427 1.427 weight 1.000 ! spec=1H N...0ms), no=360, id=349, vol=2.916000e+00
assign (segid " A" and resid 13 and name HB1) (segid " A" and resid 18 and name HG22) 2.780 0.966 0.966 weight 1.000 ! spec=1H N...0ms), no=362, id=351, vol=3.102000e+00
or (segid " A" and resid 13 and name HB1) (segid " A" and resid 18 and name HG21)
or (segid " A" and resid 13 and name HB1) (segid " A" and resid 18 and name HG23)
assign (segid " A" and resid 18 and name HG22) (segid " A" and resid 13 and name HB2) 2.640 0.871 0.871 weight 1.000 ! spec=1H N...0ms), no=363, id=352, vol=2.918000e+00
or (segid " A" and resid 18 and name HG21) (segid " A" and resid 13 and name HB2)
or (segid " A" and resid 18 and name HG23) (segid " A" and resid 13 and name HB2)
assign (segid " A" and resid 14 and name HD2) (segid " A" and resid 14 and name HG2) 2.959 1.094 1.094 weight 1.000 ! spec=1H N...0ms), no=365, id=354, vol=2.941000e+00
or (segid " A" and resid 14 and name HD1) (segid " A" and resid 14 and name HG2)
assign (segid " A" and resid 3 and name HB1) (segid " A" and resid 11 and name HG1) 3.909 1.910 1.910 weight 1.000 ! spec=1H N...0ms), no=367, id=356, vol=3.200000e+00
assign (segid " A" and resid 11 and name HB1) (segid " A" and resid 11 and name HG1) 2.377 0.706 0.706 weight 1.000 ! spec=1H N...0ms), no=368, id=357, vol=1.856000e+00
assign (segid " A" and resid 11 and name HB2) (segid " A" and resid 11 and name HG1) 2.299 0.661 0.661 weight 1.000 ! spec=1H N...0ms), no=369, id=358, vol=1.822000e+00
assign (segid " A" and resid 11 and name HD2) (segid " A" and resid 11 and name HG2) 2.256 0.636 0.636 weight 1.000 ! spec=1H N...0ms), no=370, id=359, vol=1.643000e+00
or (segid " A" and resid 11 and name HD1) (segid " A" and resid 11 and name HG2)
assign (segid " A" and resid 18 and name HB) (segid " A" and resid 18 and name HG11) 2.392 0.715 0.715 weight 1.000 ! spec=1H N...0ms), no=373, id=362, vol=1.730000e+00
assign (segid " A" and resid 14 and name HB1) (segid " A" and resid 14 and name HG1) 2.860 1.022 1.022 weight 1.000 ! spec=1H N...0ms), no=374, id=363, vol=1.711000e+00
assign (segid " A" and resid 14 and name HB2) (segid " A" and resid 14 and name HG1) 2.648 0.877 0.877 weight 1.000 ! spec=1H N...0ms), no=375, id=364, vol=1.604000e+00
assign (segid " A" and resid 18 and name HB) (segid " A" and resid 18 and name HG12) 2.896 1.048 1.048 weight 1.000 ! spec=1H N...0ms), no=376, id=365, vol=1.736000e+00
assign (segid " A" and resid 14 and name HG1) (segid " A" and resid 14 and name HG2) 2.392 0.715 0.715 weight 1.000 ! spec=1H N...0ms), no=379, id=368, vol=1.095000e+00
assign (segid " A" and resid 10 and name HB2) (segid " A" and resid 10 and name HB1) 1.899 0.451 0.451 weight 1.000 ! spec=1H N...0ms), no=385, id=374, vol=2.097000e+00
assign (segid " A" and resid 9 and name HB2) (segid " A" and resid 9 and name HB1) 1.800 0.405 0.405 weight 1.000 ! spec=1H N...0ms), no=387, id=376, vol=3.089000e+00
assign (segid " A" and resid 2 and name HN) (segid " A" and resid 1 and name HG1) 3.616 1.635 1.635 weight 1.000 ! spec=1H N...0ms), no=388, id=377, vol=9.213000e+00
assign (segid " A" and resid 14 and name HA) (segid " A" and resid 14 and name HG2) 3.775 1.782 1.782 weight 1.000 ! spec=1H N...0ms), no=403, id=392, vol=3.593000e+00
assign (segid " A" and resid 14 and name HB1) (segid " A" and resid 14 and name HG2) 3.310 1.370 1.370 weight 1.000 ! spec=1H N...0ms), no=404, id=393, vol=1.710000e+00
assign (segid " A" and resid 14 and name HB2) (segid " A" and resid 14 and name HG2) 3.077 1.184 1.184 weight 1.000 ! spec=1H N...0ms), no=405, id=394, vol=1.595000e+00
assign (segid " A" and resid 13 and name HB1) (segid " A" and resid 18 and name HD12) 2.491 0.776 0.776 weight 1.000 ! spec=1H N...0ms), no=408, id=397, vol=7.650000e-01
or (segid " A" and resid 13 and name HB1) (segid " A" and resid 18 and name HD11)
or (segid " A" and resid 13 and name HB1) (segid " A" and resid 18 and name HD13)
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 18 and name HD12) 4.511 2.544 2.544 weight 1.000 ! spec=1H N...0ms), no=413, id=402, vol=6.895000e+00
or (segid " A" and resid 12 and name HD1) (segid " A" and resid 18 and name HD11)
or (segid " A" and resid 12 and name HD1) (segid " A" and resid 18 and name HD13)
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 18 and name HD12)
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 18 and name HD11)
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 18 and name HD13)
assign (segid " A" and resid 18 and name HG11) (segid " A" and resid 13 and name HN) 3.610 1.629 1.629 weight 1.000 ! spec=1H N...0ms), no=416, id=405, vol=9.044000e+00
assign (segid " A" and resid 17 and name HA) (segid " A" and resid 17 and name HN) 3.377 1.425 1.425 weight 1.000 ! spec=1H N...0ms), no=422, id=411, vol=9.058000e+00
assign (segid " A" and resid 10 and name HB1) (segid " A" and resid 21 and name HN) 2.826 0.998 0.998 weight 1.000 ! spec=1H N...0ms), no=424, id=413, vol=9.286000e+00
assign (segid " A" and resid 15 and name HN) (segid " A" and resid 13 and name HN) 3.289 1.352 1.352 weight 1.000 ! spec=1H N...0ms), no=425, id=414, vol=8.629000e+00
assign (segid " A" and resid 13 and name HD1) (segid " A" and resid 13 and name HN) 3.519 1.548 1.548 weight 1.000 ! spec=1H N...0ms), no=426, id=415, vol=7.332000e+00
or (segid " A" and resid 13 and name HD2) (segid " A" and resid 13 and name HN)
assign (segid " A" and resid 10 and name HD2) (segid " A" and resid 10 and name HG2) 2.239 0.627 0.627 weight 1.000 ! spec=1H N...0ms), no=427, id=416, vol=2.206000e+00
assign (segid " A" and resid 1 and name HB2) (segid " A" and resid 1 and name HA) 2.488 0.774 0.774 weight 1.000 ! spec=1H N...0ms), no=431, id=420, vol=2.207000e+00
or (segid " A" and resid 1 and name HB1) (segid " A" and resid 1 and name HA)
assign (segid " A" and resid 10 and name HB1) (segid " A" and resid 10 and name HA) 2.300 0.661 0.661 weight 1.000 ! spec=1H N...0ms), no=433, id=422, vol=2.738000e+00
assign (segid " A" and resid 15 and name HB2) (segid " A" and resid 15 and name HA) 2.201 0.606 0.606 weight 1.000 ! spec=1H N...0ms), no=434, id=423, vol=2.942000e+00
assign (segid " A" and resid 15 and name HB1) (segid " A" and resid 15 and name HA) 2.354 0.693 0.693 weight 1.000 ! spec=1H N...0ms), no=435, id=424, vol=3.009000e+00
assign (segid " A" and resid 7 and name HB2) (segid " A" and resid 7 and name HA) 2.024 0.512 0.512 weight 1.000 ! spec=1H N...0ms), no=436, id=425, vol=3.659000e+00
or (segid " A" and resid 7 and name HB1) (segid " A" and resid 7 and name HA)
assign (segid " A" and resid 18 and name HD12) (segid " A" and resid 13 and name HD1) 3.073 1.181 1.181 weight 1.000 ! spec=1H N...0ms), no=440, id=429, vol=7.332000e+00
or (segid " A" and resid 18 and name HD12) (segid " A" and resid 13 and name HD2)
or (segid " A" and resid 18 and name HD11) (segid " A" and resid 13 and name HD1)
or (segid " A" and resid 18 and name HD11) (segid " A" and resid 13 and name HD2)
or (segid " A" and resid 18 and name HD13) (segid " A" and resid 13 and name HD1)
or (segid " A" and resid 18 and name HD13) (segid " A" and resid 13 and name HD2)
assign (segid " A" and resid 13 and name HD1) (segid " A" and resid 18 and name HG12) 4.074 2.075 2.075 weight 1.000 ! spec=1H N...0ms), no=441, id=430, vol=7.337000e+00
or (segid " A" and resid 13 and name HD2) (segid " A" and resid 18 and name HG12)
assign (segid " A" and resid 18 and name HG22) (segid " A" and resid 13 and name HD1) 3.187 1.269 1.269 weight 1.000 ! spec=1H N...0ms), no=442, id=431, vol=7.331000e+00
or (segid " A" and resid 18 and name HG22) (segid " A" and resid 13 and name HD2)
or (segid " A" and resid 18 and name HG21) (segid " A" and resid 13 and name HD1)
or (segid " A" and resid 18 and name HG21) (segid " A" and resid 13 and name HD2)
or (segid " A" and resid 18 and name HG23) (segid " A" and resid 13 and name HD1)
or (segid " A" and resid 18 and name HG23) (segid " A" and resid 13 and name HD2)
assign (segid " A" and resid 20 and name HB1) (segid " A" and resid 21 and name HN) 2.196 0.603 0.603 weight 1.000 ! spec=1H N...0ms), no=443, id=432, vol=9.287000e+00
assign (segid " A" and resid 20 and name HB2) (segid " A" and resid 21 and name HN) 2.581 0.833 0.833 weight 1.000 ! spec=1H N...0ms), no=444, id=433, vol=9.285000e+00
assign (segid " A" and resid 2 and name HB1) (segid " A" and resid 22 and name HN) 3.051 1.163 1.163 weight 1.000 ! spec=1H N...0ms), no=445, id=434, vol=9.256000e+00
assign (segid " A" and resid 15 and name HN) (segid " A" and resid 15 and name HA) 2.130 0.567 0.567 weight 1.000 ! spec=1H N...0ms), no=447, id=436, vol=8.627000e+00
assign (segid " A" and resid 15 and name HN) (segid " A" and resid 16 and name HN) 2.291 0.656 0.656 weight 1.000 ! spec=1H N...0ms), no=449, id=438, vol=8.179000e+00
assign (segid " A" and resid 4 and name HA2) (segid " A" and resid 4 and name HN) 2.107 0.555 0.555 weight 1.000 ! spec=1H N...0ms), no=450, id=439, vol=3.889000e+00
assign (segid " A" and resid 4 and name HA1) (segid " A" and resid 4 and name HN) 2.171 0.589 0.589 weight 1.000 ! spec=1H N...0ms), no=451, id=440, vol=3.971000e+00
assign (segid " A" and resid 21 and name HB2) (segid " A" and resid 20 and name HA) 3.266 1.334 1.334 weight 1.000 ! spec=1H N...0ms), no=452, id=441, vol=2.801000e+00
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 12 and name HB2) 2.079 0.540 0.540 weight 1.000 ! spec=1H N...0ms), no=454, id=443, vol=2.817000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 12 and name HB2)
assign (segid " A" and resid 15 and name HB2) (segid " A" and resid 15 and name HD22) 2.731 0.932 0.932 weight 1.000 ! spec=1H N...0ms), no=457, id=446, vol=7.569000e+00
assign (segid " A" and resid 16 and name HB1) (segid " A" and resid 16 and name HN) 2.337 0.683 0.683 weight 1.000 ! spec=1H N...0ms), no=458, id=447, vol=3.923000e+00
assign (segid " A" and resid 3 and name HN) (segid " A" and resid 2 and name HA) 2.089 0.545 0.545 weight 1.000 ! spec=1H N...0ms), no=459, id=448, vol=8.830000e+00
assign (segid " A" and resid 1 and name HB2) (segid " A" and resid 20 and name HN) 3.686 1.698 1.698 weight 1.000 ! spec=1H N...0ms), no=460, id=449, vol=8.380000e+00
or (segid " A" and resid 1 and name HB1) (segid " A" and resid 20 and name HN)
assign (segid " A" and resid 18 and name HD12) (segid " A" and resid 18 and name HG11) 2.171 0.589 0.589 weight 1.000 ! spec=1H N...0ms), no=463, id=452, vol=7.790000e-01
or (segid " A" and resid 18 and name HD11) (segid " A" and resid 18 and name HG11)
or (segid " A" and resid 18 and name HD13) (segid " A" and resid 18 and name HG11)
assign (segid " A" and resid 18 and name HG11) (segid " A" and resid 18 and name HG22) 2.400 0.720 0.720 weight 1.000 ! spec=1H N...0ms), no=464, id=453, vol=8.590000e-01
or (segid " A" and resid 18 and name HG11) (segid " A" and resid 18 and name HG21)
or (segid " A" and resid 18 and name HG11) (segid " A" and resid 18 and name HG23)
assign (segid " A" and resid 18 and name HB) (segid " A" and resid 18 and name HG22) 2.057 0.529 0.529 weight 1.000 ! spec=1H N...0ms), no=465, id=454, vol=8.630000e-01
or (segid " A" and resid 18 and name HB) (segid " A" and resid 18 and name HG21)
or (segid " A" and resid 18 and name HB) (segid " A" and resid 18 and name HG23)
assign (segid " A" and resid 8 and name HB2) (segid " A" and resid 8 and name HN) 2.155 0.580 0.580 weight 1.000 ! spec=1H N...0ms), no=467, id=456, vol=8.560000e+00
or (segid " A" and resid 8 and name HB1) (segid " A" and resid 8 and name HN)
assign (segid " A" and resid 13 and name HN) (segid " A" and resid 13 and name HB1) 3.009 1.132 1.132 weight 1.000 ! spec=1H N...0ms), no=468, id=457, vol=3.103000e+00
assign (segid " A" and resid 17 and name HB2) (segid " A" and resid 17 and name HE22) 3.485 1.518 1.518 weight 1.000 ! spec=1H N...0ms), no=470, id=459, vol=1.849000e+00
assign (segid " A" and resid 19 and name HB1) (segid " A" and resid 20 and name HN) 2.835 1.004 1.004 weight 1.000 ! spec=1H N...0ms), no=473, id=462, vol=8.376000e+00
assign (segid " A" and resid 14 and name HN) (segid " A" and resid 14 and name HG2) 3.809 1.814 1.814 weight 1.000 ! spec=1H N...0ms), no=475, id=464, vol=9.124000e+00
assign (segid " A" and resid 14 and name HN) (segid " A" and resid 14 and name HG1) 3.744 1.752 1.752 weight 1.000 ! spec=1H N...0ms), no=477, id=466, vol=9.123000e+00
assign (segid " A" and resid 14 and name HE) (segid " A" and resid 14 and name HB1) 3.664 1.678 1.678 weight 1.000 ! spec=1H N...0ms), no=479, id=468, vol=6.981000e+00
assign (segid " A" and resid 18 and name HD12) (segid " A" and resid 18 and name HB) 2.446 0.748 0.748 weight 1.000 ! spec=1H N...0ms), no=483, id=471, vol=1.731000e+00
or (segid " A" and resid 18 and name HD11) (segid " A" and resid 18 and name HB)
or (segid " A" and resid 18 and name HD13) (segid " A" and resid 18 and name HB)
assign (segid " A" and resid 18 and name HG12) (segid " A" and resid 18 and name HG11) 1.971 0.486 0.486 weight 1.000 ! spec=1H N...0ms), no=485, id=473, vol=1.327000e+00
assign (segid " A" and resid 18 and name HG12) (segid " A" and resid 18 and name HD12) 1.844 0.425 0.425 weight 1.000 ! spec=1H N...0ms), no=486, id=474, vol=9.640000e-01
or (segid " A" and resid 18 and name HG12) (segid " A" and resid 18 and name HD11)
or (segid " A" and resid 18 and name HG12) (segid " A" and resid 18 and name HD13)
assign (segid " A" and resid 18 and name HD12) (segid " A" and resid 18 and name HG22) 1.903 0.453 0.453 weight 1.000 ! spec=1H N...0ms), no=488, id=476, vol=7.650000e-01
or (segid " A" and resid 18 and name HD12) (segid " A" and resid 18 and name HG21)
or (segid " A" and resid 18 and name HD12) (segid " A" and resid 18 and name HG23)
or (segid " A" and resid 18 and name HD11) (segid " A" and resid 18 and name HG22)
or (segid " A" and resid 18 and name HD11) (segid " A" and resid 18 and name HG21)
or (segid " A" and resid 18 and name HD11) (segid " A" and resid 18 and name HG23)
or (segid " A" and resid 18 and name HD13) (segid " A" and resid 18 and name HG22)
or (segid " A" and resid 18 and name HD13) (segid " A" and resid 18 and name HG21)
or (segid " A" and resid 18 and name HD13) (segid " A" and resid 18 and name HG23)
assign (segid " A" and resid 18 and name HG22) (segid " A" and resid 18 and name HG12) 2.121 0.562 0.562 weight 1.000 ! spec=1H N...0ms), no=490, id=478, vol=8.580000e-01
or (segid " A" and resid 18 and name HG21) (segid " A" and resid 18 and name HG12)
or (segid " A" and resid 18 and name HG23) (segid " A" and resid 18 and name HG12)
assign (segid " A" and resid 19 and name HB1) (segid " A" and resid 18 and name HA) 3.375 1.424 1.424 weight 1.000 ! spec=1H N...0ms), no=491, id=479, vol=3.182000e+00
assign (segid " A" and resid 20 and name HB2) (segid " A" and resid 20 and name HA) 2.241 0.628 0.628 weight 1.000 ! spec=1H N...0ms), no=493, id=481, vol=3.262000e+00
assign (segid " A" and resid 10 and name HB2) (segid " A" and resid 20 and name HA) 3.029 1.147 1.147 weight 1.000 ! spec=1H N...0ms), no=494, id=482, vol=2.081000e+00
assign (segid " A" and resid 10 and name HD1) (segid " A" and resid 10 and name HB1) 3.361 1.412 1.412 weight 1.000 ! spec=1H N...0ms), no=500, id=487, vol=3.853000e+00
assign (segid " A" and resid 11 and name HE1) (segid " A" and resid 11 and name HG1) 3.573 1.595 1.595 weight 1.000 ! spec=1H N...0ms), no=502, id=489, vol=2.985000e+00
assign (segid " A" and resid 11 and name HE2) (segid " A" and resid 11 and name HG1) 3.612 1.630 1.630 weight 1.000 ! spec=1H N...0ms), no=503, id=490, vol=2.935000e+00
assign (segid " A" and resid 18 and name HG11) (segid " A" and resid 12 and name HA) 3.433 1.473 1.473 weight 1.000 ! spec=1H N...0ms), no=504, id=491, vol=1.317000e+00
assign (segid " A" and resid 22 and name HN) (segid " A" and resid 21 and name HA) 2.304 0.664 0.664 weight 1.000 ! spec=1H N...0ms), no=506, id=493, vol=9.253000e+00
assign (segid " A" and resid 21 and name HN) (segid " A" and resid 21 and name HA) 2.459 0.756 0.756 weight 1.000 ! spec=1H N...0ms), no=507, id=494, vol=9.282000e+00
assign (segid " A" and resid 22 and name HB2) (segid " A" and resid 22 and name HA) 2.602 0.846 0.846 weight 1.000 ! spec=1H N...0ms), no=510, id=495, vol=3.166000e+00
assign (segid " A" and resid 1 and name HB2) (segid " A" and resid 1 and name HG1) 1.943 0.472 0.472 weight 1.000 ! spec=1H N...0ms), no=513, id=498, vol=2.194000e+00
or (segid " A" and resid 1 and name HB1) (segid " A" and resid 1 and name HG1)
assign (segid " A" and resid 19 and name HB2) (segid " A" and resid 1 and name HB2) 3.131 1.225 1.225 weight 1.000 ! spec=1H N...0ms), no=516, id=501, vol=2.851000e+00
or (segid " A" and resid 19 and name HB2) (segid " A" and resid 1 and name HB1)
assign (segid " A" and resid 4 and name HA1) (segid " A" and resid 5 and name HB2) 3.551 1.576 1.576 weight 1.000 ! spec=1H N...0ms), no=517, id=502, vol=3.968000e+00
or (segid " A" and resid 4 and name HA1) (segid " A" and resid 5 and name HB1)
assign (segid " A" and resid 2 and name HN) (segid " A" and resid 1 and name HE2) 4.441 2.466 2.466 weight 1.000 ! spec=1H N...0ms), no=521, id=506, vol=9.210000e+00
or (segid " A" and resid 2 and name HN) (segid " A" and resid 1 and name HE1)
or (segid " A" and resid 2 and name HN) (segid " A" and resid 1 and name HE3)
assign (segid " A" and resid 15 and name HN) (segid " A" and resid 12 and name HB1) 3.247 1.318 1.318 weight 1.000 ! spec=1H N...0ms), no=523, id=508, vol=8.631000e+00
assign (segid " A" and resid 12 and name HD1) (segid " A" and resid 17 and name HG1) 3.009 1.132 1.132 weight 1.000 ! spec=1H N...0ms), no=524, id=509, vol=6.892000e+00
or (segid " A" and resid 12 and name HD2) (segid " A" and resid 17 and name HG1)
assign (segid " A" and resid 17 and name HG1) (segid " A" and resid 12 and name HE1) 2.893 1.047 1.047 weight 1.000 ! spec=1H N...0ms), no=526, id=511, vol=6.817000e+00
or (segid " A" and resid 17 and name HG1) (segid " A" and resid 12 and name HE2)
assign (segid " A" and resid 12 and name HE1) (segid " A" and resid 16 and name HA) 3.735 1.744 1.744 weight 1.000 ! spec=1H N...0ms), no=529, id=514, vol=6.815000e+00
or (segid " A" and resid 12 and name HE2) (segid " A" and resid 16 and name HA)
assign (segid " A" and resid 3 and name HN) (segid " A" and resid 20 and name HN) 2.635 0.868 0.868 weight 1.000 ! spec=1H N...0ms), no=530, id=515, vol=8.829000e+00
assign (segid " A" and resid 4 and name HN) (segid " A" and resid 7 and name HB2) 3.009 1.132 1.132 weight 1.000 ! spec=1H N...0ms), no=539, id=524, vol=3.658000e+00
or (segid " A" and resid 4 and name HN) (segid " A" and resid 7 and name HB1)
assign (segid " A" and resid 17 and name HG2) (segid " A" and resid 12 and name HD1) 3.411 1.455 1.455 weight 1.000 ! spec=1H N...0ms), no=541, id=526, vol=1.759000e+00
or (segid " A" and resid 17 and name HG2) (segid " A" and resid 12 and name HD2)
assign (segid " A" and resid 12 and name HE1) (segid " A" and resid 17 and name HG2) 3.118 1.215 1.215 weight 1.000 ! spec=1H N...0ms), no=542, id=527, vol=1.763000e+00
or (segid " A" and resid 12 and name HE2) (segid " A" and resid 17 and name HG2)
assign (segid " A" and resid 11 and name HD2) (segid " A" and resid 11 and name HE2) 2.418 0.731 0.731 weight 1.000 ! spec=1H N...0ms), no=547, id=531, vol=2.933000e+00
or (segid " A" and resid 11 and name HD1) (segid " A" and resid 11 and name HE2)
assign (segid " A" and resid 11 and name HE1) (segid " A" and resid 11 and name HD2) 2.475 0.765 0.765 weight 1.000 ! spec=1H N...0ms), no=549, id=533, vol=1.649000e+00
or (segid " A" and resid 11 and name HE1) (segid " A" and resid 11 and name HD1)
assign (segid " A" and resid 10 and name HD1) (segid " A" and resid 10 and name HD2) 1.640 0.336 0.336 weight 1.000 ! spec=1H N...0ms), no=550, id=534, vol=3.851000e+00
assign (segid " A" and resid 20 and name HB1) (segid " A" and resid 20 and name HB2) 1.702 0.362 0.362 weight 1.000 ! spec=1H N...0ms), no=552, id=536, vol=3.265000e+00
assign (segid " A" and resid 10 and name HG2) (segid " A" and resid 10 and name HB1) 2.473 0.764 0.764 weight 1.000 ! spec=1H N...0ms), no=554, id=538, vol=2.204000e+00
assign (segid " A" and resid 19 and name HB1) (segid " A" and resid 1 and name HB2) 3.026 1.145 1.145 weight 1.000 ! spec=1H N...0ms), no=556, id=540, vol=2.198000e+00
or (segid " A" and resid 19 and name HB1) (segid " A" and resid 1 and name HB1)
assign (segid " A" and resid 1 and name HA) (segid " A" and resid 1 and name HE2) 3.718 1.728 1.728 weight 1.000 ! spec=1H N...0ms), no=557, id=541, vol=4.156000e+00
or (segid " A" and resid 1 and name HA) (segid " A" and resid 1 and name HE1)
or (segid " A" and resid 1 and name HA) (segid " A" and resid 1 and name HE3)
assign (segid " A" and resid 1 and name HB2) (segid " A" and resid 19 and name HA) 2.530 0.800 0.800 weight 1.000 ! spec=1H N...0ms), no=558, id=542, vol=2.198000e+00
or (segid " A" and resid 1 and name HB1) (segid " A" and resid 19 and name HA)
assign (segid " A" and resid 1 and name HG2) (segid " A" and resid 19 and name HA) 3.526 1.554 1.554 weight 1.000 ! spec=1H N...0ms), no=559, id=543, vol=2.467000e+00
assign (segid " A" and resid 1 and name HG1) (segid " A" and resid 19 and name HA) 3.526 1.554 1.554 weight 1.000 ! spec=1H N...0ms), no=560, id=544, vol=2.634000e+00
assign (segid " A" and resid 10 and name HG2) (segid " A" and resid 20 and name HA) 3.465 1.500 1.500 weight 1.000 ! spec=1H N...0ms), no=561, id=545, vol=2.199000e+00
assign (segid " A" and resid 2 and name HB1) (segid " A" and resid 2 and name HA) 2.388 0.713 0.713 weight 1.000 ! spec=1H N...0ms), no=562, id=546, vol=3.241000e+00
assign (segid " A" and resid 3 and name HN) (segid " A" and resid 20 and name HA) 3.811 1.815 1.815 weight 1.000 ! spec=1H N...0ms), no=563, id=547, vol=8.833000e+00
assign (segid " A" and resid 4 and name HN) (segid " A" and resid 5 and name HB2) 4.133 2.135 2.135 weight 1.000 ! spec=1H N...0ms), no=565, id=549, vol=8.663000e+00
or (segid " A" and resid 4 and name HN) (segid " A" and resid 5 and name HB1)
assign (segid " A" and resid 5 and name HN) (segid " A" and resid 22 and name HB2) 3.913 1.914 1.914 weight 1.000 ! spec=1H N...0ms), no=567, id=551, vol=3.184000e+00
assign (segid " A" and resid 7 and name HN) (segid " A" and resid 5 and name HG2) 4.029 2.029 2.029 weight 1.000 ! spec=1H N...0ms), no=569, id=553, vol=7.553000e+00
or (segid " A" and resid 7 and name HN) (segid " A" and resid 5 and name HG1)
assign (segid " A" and resid 11 and name HE1) (segid " A" and resid 11 and name HG2) 3.354 1.406 1.406 weight 1.000 ! spec=1H N...0ms), no=574, id=558, vol=2.978000e+00
assign (segid " A" and resid 6 and name HN) (segid " A" and resid 7 and name HB2) 3.372 1.422 1.422 weight 1.000 ! spec=1H N...0ms), no=577, id=561, vol=3.661000e+00
or (segid " A" and resid 6 and name HN) (segid " A" and resid 7 and name HB1)
assign (segid " A" and resid 14 and name HB2) (segid " A" and resid 14 and name HD2) 2.384 0.710 0.710 weight 1.000 ! spec=1H N...0ms), no=584, id=568, vol=2.934000e+00
or (segid " A" and resid 14 and name HB2) (segid " A" and resid 14 and name HD1)
assign (segid " A" and resid 10 and name HG2) (segid " A" and resid 10 and name HA) 3.314 1.373 1.373 weight 1.000 ! spec=1H N...0ms), no=585, id=569, vol=2.202000e+00
assign (segid " A" and resid 10 and name HG1) (segid " A" and resid 10 and name HA) 3.313 1.372 1.372 weight 1.000 ! spec=1H N...0ms), no=586, id=570, vol=1.994000e+00
assign (segid " A" and resid 10 and name HB2) (segid " A" and resid 10 and name HA) 2.382 0.709 0.709 weight 1.000 ! spec=1H N...0ms), no=587, id=571, vol=2.095000e+00
assign (segid " A" and resid 11 and name HG1) (segid " A" and resid 10 and name HA) 3.975 1.975 1.975 weight 1.000 ! spec=1H N...0ms), no=588, id=572, vol=1.462000e+00
assign (segid " A" and resid 14 and name HB1) (segid " A" and resid 16 and name HN) 3.044 1.158 1.158 weight 1.000 ! spec=1H N...0ms), no=593, id=577, vol=8.180000e+00
assign (segid " A" and resid 16 and name HN) (segid " A" and resid 18 and name HG22) 4.343 2.358 2.358 weight 1.000 ! spec=1H N...0ms), no=595, id=579, vol=8.174000e+00
or (segid " A" and resid 16 and name HN) (segid " A" and resid 18 and name HG21)
or (segid " A" and resid 16 and name HN) (segid " A" and resid 18 and name HG23)
assign (segid " A" and resid 16 and name HN) (segid " A" and resid 18 and name HD12) 4.700 2.761 2.761 weight 1.000 ! spec=1H N...0ms), no=596, id=580, vol=8.185000e+00
or (segid " A" and resid 16 and name HN) (segid " A" and resid 18 and name HD11)
or (segid " A" and resid 16 and name HN) (segid " A" and resid 18 and name HD13)
assign (segid " A" and resid 16 and name HN) (segid " A" and resid 12 and name HB1) 3.149 1.239 1.239 weight 1.000 ! spec=1H N...0ms), no=597, id=581, vol=2.869000e+00
assign (segid " A" and resid 16 and name HN) (segid " A" and resid 12 and name HB2) 3.197 1.277 1.277 weight 1.000 ! spec=1H N...0ms), no=599, id=583, vol=2.817000e+00
assign (segid " A" and resid 16 and name HN) (segid " A" and resid 14 and name HB2) 2.933 1.075 1.075 weight 1.000 ! spec=1H N...0ms), no=600, id=584, vol=1.605000e+00
assign (segid " A" and resid 17 and name HE21) (segid " A" and resid 17 and name HB1) 3.449 1.487 1.487 weight 1.000 ! spec=1H N...0ms), no=602, id=586, vol=2.004000e+00
assign (segid " A" and resid 17 and name HE21) (segid " A" and resid 10 and name HB2) 3.359 1.411 1.411 weight 1.000 ! spec=1H N...0ms), no=603, id=587, vol=2.088000e+00
assign (segid " A" and resid 17 and name HE22) (segid " A" and resid 17 and name HG2) 3.809 1.814 1.814 weight 1.000 ! spec=1H N...0ms), no=607, id=591, vol=1.768000e+00
assign (segid " A" and resid 17 and name HE22) (segid " A" and resid 10 and name HG2) 3.858 1.860 1.860 weight 1.000 ! spec=1H N...0ms), no=608, id=592, vol=2.212000e+00
assign (segid " A" and resid 17 and name HE21) (segid " A" and resid 20 and name HA) 3.869 1.871 1.871 weight 1.000 ! spec=1H N...0ms), no=610, id=594, vol=6.913000e+00
assign (segid " A" and resid 17 and name HE21) (segid " A" and resid 10 and name HB1) 3.732 1.741 1.741 weight 1.000 ! spec=1H N...0ms), no=611, id=595, vol=6.930000e+00
assign (segid " A" and resid 18 and name HA) (segid " A" and resid 19 and name HA) 3.837 1.841 1.841 weight 1.000 ! spec=1H N...0ms), no=612, id=596, vol=4.209000e+00
assign (segid " A" and resid 18 and name HA) (segid " A" and resid 12 and name HA) 4.034 2.034 2.034 weight 1.000 ! spec=1H N...0ms), no=613, id=597, vol=4.206000e+00
assign (segid " A" and resid 18 and name HG12) (segid " A" and resid 17 and name HA) 3.897 1.898 1.898 weight 1.000 ! spec=1H N...0ms), no=614, id=598, vol=9.740000e-01
assign (segid " A" and resid 11 and name HB1) (segid " A" and resid 18 and name HG12) 3.118 1.215 1.215 weight 1.000 ! spec=1H N...0ms), no=616, id=599, vol=1.855000e+00
assign (segid " A" and resid 11 and name HB1) (segid " A" and resid 18 and name HD12) 2.933 1.075 1.075 weight 1.000 ! spec=1H N...0ms), no=617, id=600, vol=1.868000e+00
or (segid " A" and resid 11 and name HB1) (segid " A" and resid 18 and name HD11)
or (segid " A" and resid 11 and name HB1) (segid " A" and resid 18 and name HD13)
assign (segid " A" and resid 13 and name HD1) (segid " A" and resid 14 and name HA) 3.852 1.855 1.855 weight 1.000 ! spec=1H N...0ms), no=621, id=603, vol=7.323000e+00
or (segid " A" and resid 13 and name HD2) (segid " A" and resid 14 and name HA)
assign (segid " A" and resid 21 and name HB2) (segid " A" and resid 21 and name HB1) 1.687 0.356 0.356 weight 1.000 ! spec=1H N...0ms), no=622, id=604, vol=2.801000e+00
assign (segid " A" and resid 21 and name HB1) (segid " A" and resid 21 and name HA) 2.619 0.858 0.858 weight 1.000 ! spec=1H N...0ms), no=624, id=605, vol=3.318000e+00
assign (segid " A" and resid 22 and name HB1) (segid " A" and resid 22 and name HB2) 1.587 0.315 0.315 weight 1.000 ! spec=1H N...0ms), no=625, id=606, vol=3.626000e+00
assign (segid " A" and resid 20 and name HB2) (segid " A" and resid 10 and name HA) 3.848 1.851 1.851 weight 1.000 ! spec=1H N...0ms), no=628, id=609, vol=3.260000e+00
assign (segid " A" and resid 20 and name HB2) (segid " A" and resid 10 and name HB2) 4.050 2.050 2.050 weight 1.000 ! spec=1H N...0ms), no=629, id=610, vol=3.245000e+00
assign (segid " A" and resid 10 and name HG2) (segid " A" and resid 20 and name HB2) 3.992 1.992 1.992 weight 1.000 ! spec=1H N...0ms), no=630, id=611, vol=2.204000e+00
assign (segid " A" and resid 20 and name HB2) (segid " A" and resid 17 and name HE22) 3.002 1.127 1.127 weight 1.000 ! spec=1H N...0ms), no=633, id=612, vol=7.238000e+00
assign (segid " A" and resid 21 and name HB2) (segid " A" and resid 20 and name HB1) 3.860 1.862 1.862 weight 1.000 ! spec=1H N...0ms), no=634, id=613, vol=2.801000e+00
assign (segid " A" and resid 20 and name HB1) (segid " A" and resid 10 and name HB1) 3.411 1.455 1.455 weight 1.000 ! spec=1H N...0ms), no=635, id=614, vol=3.511000e+00
assign (segid " A" and resid 9 and name HB2) (segid " A" and resid 21 and name HB1) 3.457 1.494 1.494 weight 1.000 ! spec=1H N...0ms), no=637, id=616, vol=3.315000e+00
assign (segid " A" and resid 19 and name HB1) (segid " A" and resid 1 and name HG2) 3.105 1.205 1.205 weight 1.000 ! spec=1H N...0ms), no=640, id=619, vol=3.195000e+00
assign (segid " A" and resid 19 and name HB2) (segid " A" and resid 1 and name HG2) 3.537 1.564 1.564 weight 1.000 ! spec=1H N...0ms), no=641, id=620, vol=2.844000e+00
assign (segid " A" and resid 19 and name HB1) (segid " A" and resid 1 and name HE2) 3.679 1.692 1.692 weight 1.000 ! spec=1H N...0ms), no=642, id=621, vol=3.198000e+00
or (segid " A" and resid 19 and name HB1) (segid " A" and resid 1 and name HE1)
or (segid " A" and resid 19 and name HB1) (segid " A" and resid 1 and name HE3)
assign (segid " A" and resid 11 and name HN) (segid " A" and resid 18 and name HB) 3.905 1.906 1.906 weight 1.000 ! spec=1H N...0ms), no=644, id=623, vol=7.727000e+00
assign (segid " A" and resid 13 and name HN) (segid " A" and resid 12 and name HB2) 2.930 1.073 1.073 weight 1.000 ! spec=1H N...0ms), no=655, id=633, vol=9.057000e+00
assign (segid " A" and resid 18 and name HG12) (segid " A" and resid 11 and name HB2) 3.384 1.432 1.432 weight 1.000 ! spec=1H N...0ms), no=657, id=635, vol=9.750000e-01
assign (segid " A" and resid 9 and name HB2) (segid " A" and resid 10 and name HD2) 4.136 2.138 2.138 weight 1.000 ! spec=1H N...0ms), no=662, id=639, vol=2.516000e+00
assign (segid " A" and resid 9 and name HB1) (segid " A" and resid 11 and name HN) 4.780 2.856 2.856 weight 1.000 ! spec=1H N...0ms), no=664, id=640, vol=3.095000e+00
assign (segid " A" and resid 6 and name HN) (segid " A" and resid 7 and name HA) 4.201 2.206 2.206 weight 1.000 ! spec=1H N...0ms), no=665, id=641, vol=9.060000e+00
assign (segid " A" and resid 6 and name HA1) (segid " A" and resid 5 and name HG2) 3.957 1.957 1.957 weight 1.000 ! spec=1H N...0ms), no=666, id=642, vol=3.773000e+00
or (segid " A" and resid 6 and name HA1) (segid " A" and resid 5 and name HG1)
assign (segid " A" and resid 4 and name HA1) (segid " A" and resid 3 and name HA) 3.328 1.384 1.384 weight 1.000 ! spec=1H N...0ms), no=669, id=645, vol=3.974000e+00
assign (segid " A" and resid 4 and name HA2) (segid " A" and resid 2 and name HB1) 4.882 2.979 2.979 weight 1.000 ! spec=1H N...0ms), no=672, id=648, vol=3.895000e+00
assign (segid " A" and resid 4 and name HA1) (segid " A" and resid 2 and name HB1) 4.066 2.067 2.067 weight 1.000 ! spec=1H N...0ms), no=673, id=649, vol=3.966000e+00
assign (segid " A" and resid 3 and name HB2) (segid " A" and resid 4 and name HA1) 4.258 2.267 2.267 weight 1.000 ! spec=1H N...0ms), no=677, id=653, vol=2.851000e+00
assign (segid " A" and resid 4 and name HN) (segid " A" and resid 2 and name HB1) 2.901 1.052 1.052 weight 1.000 ! spec=1H N...0ms), no=681, id=655, vol=3.231000e+00
assign (segid " A" and resid 2 and name HB1) (segid " A" and resid 1 and name HA) 4.735 2.802 2.802 weight 1.000 ! spec=1H N...0ms), no=688, id=660, vol=3.231000e+00
assign (segid " A" and resid 23 and name HN1) (segid " A" and resid 22 and name HA) 2.986 1.115 1.115 weight 1.000 ! spec=1H N...0ms), no=689, id=661, vol=7.246000e+00
assign (segid " A" and resid 23 and name HN2) (segid " A" and resid 22 and name HB1) 2.738 0.937 0.937 weight 1.000 ! spec=1H N...0ms), no=690, id=662, vol=7.701000e+00
assign (segid " A" and resid 23 and name HN1) (segid " A" and resid 22 and name HB1) 3.081 1.187 1.187 weight 1.000 ! spec=1H N...0ms), no=691, id=663, vol=7.246000e+00
assign (segid " A" and resid 23 and name HN2) (segid " A" and resid 21 and name HB1) 3.684 1.697 1.697 weight 1.000 ! spec=1H N...0ms), no=692, id=664, vol=7.701000e+00
assign (segid " A" and resid 23 and name HN1) (segid " A" and resid 21 and name HB1) 3.733 1.742 1.742 weight 1.000 ! spec=1H N...0ms), no=693, id=665, vol=7.248000e+00
assign (segid " A" and resid 23 and name HN2) (segid " A" and resid 22 and name HB2) 3.365 1.415 1.415 weight 1.000 ! spec=1H N...0ms), no=694, id=666, vol=7.701000e+00
assign (segid " A" and resid 23 and name HN2) (segid " A" and resid 21 and name HB2) 4.133 2.135 2.135 weight 1.000 ! spec=1H N...0ms), no=696, id=667, vol=7.700000e+00
assign (segid " A" and resid 23 and name HN1) (segid " A" and resid 21 and name HB2) 4.045 2.045 2.045 weight 1.000 ! spec=1H N...0ms), no=697, id=668, vol=7.243000e+00
assign (segid " A" and resid 23 and name HN1) (segid " A" and resid 22 and name HN) 3.579 1.601 1.601 weight 1.000 ! spec=1H N...0ms), no=698, id=669, vol=7.247000e+00
assign (segid " A" and resid 23 and name HN2) (segid " A" and resid 22 and name HN) 3.349 1.402 1.402 weight 1.000 ! spec=1H N...0ms), no=699, id=670, vol=7.702000e+00
assign (segid " A" and resid 19 and name HN) (segid " A" and resid 17 and name HA) 4.208 2.213 2.213 weight 1.000 ! spec=1H N...0ms), no=716, id=685, vol=7.623000e+00
assign (segid " A" and resid 16 and name HN) (segid " A" and resid 13 and name HB1) 3.575 1.597 1.597 weight 1.000 ! spec=1H N...0ms), no=718, id=687, vol=8.184000e+00
assign (segid " A" and resid 6 and name HA1) (segid " A" and resid 6 and name HN) 2.171 0.589 0.589 weight 1.000 ! spec=1H N...0ms), no=719, id=688, vol=9.058000e+00
assign (segid " A" and resid 7 and name HN) (segid " A" and resid 4 and name HA1) 4.004 2.004 2.004 weight 1.000 ! spec=1H N...0ms), no=725, id=693, vol=7.555000e+00
assign (segid " A" and resid 22 and name HB2) (segid " A" and resid 7 and name HN) 4.077 2.078 2.078 weight 1.000 ! spec=1H N...0ms), no=727, id=695, vol=7.555000e+00
assign (segid " A" and resid 19 and name HN) (segid " A" and resid 18 and name HG12) 3.952 1.953 1.953 weight 1.000 ! spec=1H N...0ms), no=728, id=696, vol=9.710000e-01
assign (segid " A" and resid 13 and name HE1) (segid " A" and resid 18 and name HG22) 4.117 2.119 2.119 weight 1.000 ! spec=1H N...0ms), no=730, id=698, vol=7.388000e+00
or (segid " A" and resid 13 and name HE1) (segid " A" and resid 18 and name HG21)
or (segid " A" and resid 13 and name HE1) (segid " A" and resid 18 and name HG23)
or (segid " A" and resid 13 and name HE2) (segid " A" and resid 18 and name HG22)
or (segid " A" and resid 13 and name HE2) (segid " A" and resid 18 and name HG21)
or (segid " A" and resid 13 and name HE2) (segid " A" and resid 18 and name HG23)
assign (segid " A" and resid 11 and name HN) (segid " A" and resid 18 and name HG12) 4.330 2.344 2.344 weight 1.000 ! spec=1H N...0ms), no=731, id=699, vol=7.735000e+00
assign (segid " A" and resid 11 and name HN) (segid " A" and resid 18 and name HG22) 4.540 2.576 2.576 weight 1.000 ! spec=1H N...0ms), no=732, id=700, vol=7.737000e+00
or (segid " A" and resid 11 and name HN) (segid " A" and resid 18 and name HG21)
or (segid " A" and resid 11 and name HN) (segid " A" and resid 18 and name HG23)
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