NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
612899 | 5tvz | 30201 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
# Restraints file 1: unambig_ambig_run22_FINAL.tbl assign (segid " " and resid 752 and name HB) (segid " " and resid 799 and name HA) 3.048 1.162 1.162 weight 1.000 ! spec=c13n...li-5, no=2, id=1061, vol=1.639100e+00 assign (segid " " and resid 752 and name HB) (segid " " and resid 799 and name HB1) 2.323 0.675 0.675 weight 1.000 ! spec=c13n...li-5, no=7, id=1065, vol=8.361500e+00 assign (segid " " and resid 752 and name HB) (segid " " and resid 799 and name HD1) 2.561 0.820 0.820 weight 1.000 ! spec=c13n...li-5, no=8, id=1066, vol=4.663500e+00 assign (segid " " and resid 752 and name HB) (segid " " and resid 752 and name HG21) 1.982 0.491 4.018 weight 1.000 ! spec=c13n...li-5, no=9, id=1067, vol=2.168150e+01 assign (segid " " and resid 767 and name HB) (segid " " and resid 767 and name HG21) 1.826 0.417 4.174 weight 1.000 ! spec=c13n...li-5, no=15, id=1071, vol=3.552070e+01 assign (segid " " and resid 775 and name HB) (segid " " and resid 775 and name HG21) 1.752 0.384 4.248 weight 1.000 ! spec=c13n...li-5, no=20, id=1072, vol=4.547670e+01 assign (segid " " and resid 802 and name HB) (segid " " and resid 802 and name HG21) 1.830 0.419 0.419 weight 1.000 ! spec=c13n...li-5, no=22, id=1073, vol=3.499430e+01 or (segid " " and resid 802 and name HB) (segid " " and resid 802 and name HG22) or (segid " " and resid 802 and name HB) (segid " " and resid 802 and name HG23) assign (segid " " and resid 754 and name HB) (segid " " and resid 796 and name HG21) 2.599 0.844 3.401 weight 1.000 ! spec=c13n...li-5, no=24, id=1074, vol=4.269000e+00 assign (segid " " and resid 754 and name HB) (segid " " and resid 796 and name HB) 2.258 0.637 0.637 weight 1.000 ! spec=c13n...li-5, no=29, id=1078, vol=9.931700e+00 assign (segid " " and resid 754 and name HB) (segid " " and resid 754 and name HG21) 1.856 0.431 4.144 weight 1.000 ! spec=c13n...li-5, no=30, id=1079, vol=3.214460e+01 assign (segid " " and resid 786 and name HB) (segid " " and resid 786 and name HG21) 1.849 0.427 4.151 weight 1.000 ! spec=c13n...li-5, no=35, id=1081, vol=3.295970e+01 assign (segid " " and resid 760 and name HA) (segid " " and resid 760 and name HG21) 1.910 0.456 4.090 weight 1.000 ! spec=c13n...li-5, no=37, id=1082, vol=2.705030e+01 assign (segid " " and resid 760 and name HA) (segid " " and resid 792 and name HD11) 3.114 1.212 1.212 weight 1.000 ! spec=c13n...li-5, no=40, id=1084, vol=1.442500e+00 assign (segid " " and resid 760 and name HA) (segid " " and resid 758 and name HD11) 3.177 1.262 1.262 weight 1.000 ! spec=c13n...li-5, no=41, id=1085, vol=1.279100e+00 assign (segid " " and resid 782 and name HB) (segid " " and resid 785 and name HE1) 2.783 0.968 0.968 weight 1.000 ! spec=c13n...li-5, no=43, id=1087, vol=2.830300e+00 assign (segid " " and resid 782 and name HB) (segid " " and resid 782 and name HG21) 2.077 0.539 0.539 weight 1.000 ! spec=c13n...li-5, no=47, id=1090, vol=1.637850e+01 assign (segid " " and resid 782 and name HB) (segid " " and resid 757 and name HD11) 2.507 0.785 3.493 weight 1.000 ! spec=c13n...li-5, no=48, id=1091, vol=5.301200e+00 assign (segid " " and resid 797 and name HB2) (segid " " and resid 797 and name HB1) 2.700 0.911 0.911 weight 1.000 ! spec=c13n...li-5, no=50, id=1092, vol=3.395700e+00 assign (segid " " and resid 724 and name HB2) (segid " " and resid 724 and name HB1) 2.043 0.522 0.522 weight 1.000 ! spec=c13n...li-5, no=54, id=1096, vol=1.810680e+01 assign (segid " " and resid 797 and name HB1) (segid " " and resid 797 and name HA) 2.785 0.970 0.970 weight 1.000 ! spec=c13n...li-5, no=55, id=1097, vol=2.819200e+00 assign (segid " " and resid 739 and name HB2) (segid " " and resid 815 and name HG12) 2.943 1.082 1.082 weight 1.000 ! spec=c13n...li-5, no=57, id=1099, vol=2.026000e+00 assign (segid " " and resid 739 and name HB2) (segid " " and resid 782 and name HG21) 2.998 1.123 3.002 weight 1.000 ! spec=c13n...li-5, no=58, id=1100, vol=1.812300e+00 assign (segid " " and resid 794 and name HB2) (segid " " and resid 794 and name HB1) 2.580 0.832 0.832 weight 1.000 ! spec=c13n...li-5, no=60, id=1102, vol=4.465100e+00 assign (segid " " and resid 794 and name HB1) (segid " " and resid 792 and name HG21) 3.155 1.244 1.244 weight 1.000 ! spec=c13n...li-5, no=62, id=1104, vol=1.334700e+00 assign (segid " " and resid 797 and name HB2) (segid " " and resid 805 and name HG11) 3.055 1.166 2.945 weight 1.000 ! spec=c13n...li-5, no=64, id=1106, vol=1.619400e+00 assign (segid " " and resid 739 and name HB2) (segid " " and resid 733 and name HD21) 3.095 1.197 1.197 weight 1.000 ! spec=c13n...li-5, no=67, id=1107, vol=1.497400e+00 assign (segid " " and resid 739 and name HB2) (segid " " and resid 733 and name HD11) 3.078 1.185 2.922 weight 1.000 ! spec=c13n...li-5, no=70, id=1110, vol=1.545800e+00 assign (segid " " and resid 794 and name HB2) (segid " " and resid 796 and name HG21) 2.963 1.097 3.037 weight 1.000 ! spec=c13n...li-5, no=73, id=1112, vol=1.944500e+00 assign (segid " " and resid 739 and name HB2) (segid " " and resid 739 and name HB1) 2.243 0.629 0.629 weight 1.000 ! spec=c13n...li-5, no=74, id=1113, vol=1.032420e+01 assign (segid " " and resid 739 and name HB1) (segid " " and resid 733 and name HD11) 3.137 1.230 2.863 weight 1.000 ! spec=c13n...li-5, no=75, id=1114, vol=1.380300e+00 assign (segid " " and resid 760 and name HA) (segid " " and resid 760 and name HB) 1.992 0.496 0.496 weight 1.000 ! spec=c13n...li-5, no=82, id=1116, vol=2.103770e+01 assign (segid " " and resid 760 and name HB) (segid " " and resid 760 and name HG21) 1.995 0.498 0.498 weight 1.000 ! spec=c13n...li-5, no=85, id=1117, vol=2.085290e+01 assign (segid " " and resid 760 and name HB) (segid " " and resid 758 and name HD11) 2.611 0.852 3.389 weight 1.000 ! spec=c13n...li-5, no=86, id=1118, vol=4.148600e+00 assign (segid " " and resid 762 and name HB2) (segid " " and resid 762 and name HB1) 2.572 0.827 0.827 weight 1.000 ! spec=c13n...li-5, no=87, id=1119, vol=4.539300e+00 assign (segid " " and resid 739 and name HB1) (segid " " and resid 782 and name HG21) 2.814 0.990 3.186 weight 1.000 ! spec=c13n...li-5, no=90, id=1121, vol=2.647400e+00 assign (segid " " and resid 762 and name HB2) (segid " " and resid 764 and name HG2) 3.158 1.247 1.247 weight 1.000 ! spec=c13n...li-5, no=94, id=1124, vol=1.325300e+00 assign (segid " " and resid 796 and name HA) (segid " " and resid 797 and name HB2) 3.122 1.219 2.878 weight 1.000 ! spec=c13n...li-5, no=96, id=1125, vol=1.419300e+00 assign (segid " " and resid 796 and name HA) (segid " " and resid 797 and name HA) 2.823 0.996 3.177 weight 1.000 ! spec=c13n...li-5, no=97, id=1126, vol=2.598600e+00 assign (segid " " and resid 796 and name HA) (segid " " and resid 796 and name HB) 2.306 0.665 0.665 weight 1.000 ! spec=c13n...li-5, no=99, id=1127, vol=8.751800e+00 assign (segid " " and resid 796 and name HA) (segid " " and resid 808 and name HB2) 3.058 1.169 2.942 weight 1.000 ! spec=c13n...li-5, no=100, id=1128, vol=1.609400e+00 assign (segid " " and resid 796 and name HA) (segid " " and resid 795 and name HB1) 3.152 1.242 2.848 weight 1.000 ! spec=c13n...li-5, no=101, id=1129, vol=1.341300e+00 assign (segid " " and resid 796 and name HA) (segid " " and resid 796 and name HG11) 1.986 0.493 4.014 weight 1.000 ! spec=c13n...li-5, no=103, id=1131, vol=2.141900e+01 assign (segid " " and resid 796 and name HA) (segid " " and resid 796 and name HG21) 2.023 0.512 0.512 weight 1.000 ! spec=c13n...li-5, no=104, id=1132, vol=1.918900e+01 assign (segid " " and resid 796 and name HA) (segid " " and resid 808 and name HD11) 2.934 1.076 3.066 weight 1.000 ! spec=c13n...li-5, no=105, id=1133, vol=2.060900e+00 assign (segid " " and resid 722 and name HB2) (segid " " and resid 722 and name HB1) 2.246 0.631 0.631 weight 1.000 ! spec=c13n...li-5, no=107, id=1135, vol=1.024410e+01 assign (segid " " and resid 740 and name HB2) (segid " " and resid 779 and name HG21) 3.121 1.217 2.879 weight 1.000 ! spec=c13n...li-5, no=109, id=1137, vol=1.424500e+00 assign (segid " " and resid 740 and name HB1) (segid " " and resid 779 and name HG21) 2.726 0.929 3.274 weight 1.000 ! spec=c13n...li-5, no=117, id=1141, vol=3.207200e+00 assign (segid " " and resid 722 and name HB1) (segid " " and resid 746 and name HB2) 3.052 1.164 1.164 weight 1.000 ! spec=c13n...li-5, no=119, id=1142, vol=1.626900e+00 assign (segid " " and resid 722 and name HB1) (segid " " and resid 746 and name HB1) 3.008 1.131 2.500 weight 1.000 ! spec=c13n...li-5, no=120, id=1143, vol=1.774400e+00 assign (segid " " and resid 811 and name HA) (segid " " and resid 810 and name HA) 2.953 1.090 3.047 weight 1.000 ! spec=c13n...li-5, no=121, id=1144, vol=1.983600e+00 assign (segid " " and resid 811 and name HA) (segid " " and resid 812 and name HB2) 3.095 1.197 2.905 weight 1.000 ! spec=c13n...li-5, no=124, id=1146, vol=1.496600e+00 assign (segid " " and resid 811 and name HA) (segid " " and resid 811 and name HB2) 2.078 0.540 0.540 weight 1.000 ! spec=c13n...li-5, no=125, id=1147, vol=1.634770e+01 assign (segid " " and resid 811 and name HA) (segid " " and resid 811 and name HG2) 2.764 0.955 3.236 weight 1.000 ! spec=c13n...li-5, no=126, id=1148, vol=2.948000e+00 assign (segid " " and resid 811 and name HA) (segid " " and resid 811 and name HG1) 2.517 0.792 1.792 weight 1.000 ! spec=c13n...li-5, no=127, id=1149, vol=5.173200e+00 assign (segid " " and resid 801 and name HB2) (segid " " and resid 801 and name HB1) 2.540 0.806 0.806 weight 1.000 ! spec=c13n...li-5, no=134, id=1151, vol=4.901700e+00 assign (segid " " and resid 773 and name HA) (segid " " and resid 773 and name HB) 2.457 0.755 0.755 weight 1.000 ! spec=c13n...li-5, no=140, id=1154, vol=5.979000e+00 assign (segid " " and resid 773 and name HA) (segid " " and resid 774 and name HG1) 2.989 1.117 2.117 weight 1.000 ! spec=c13n...li-5, no=141, id=1155, vol=1.843200e+00 assign (segid " " and resid 773 and name HA) (segid " " and resid 773 and name HD11) 2.183 0.595 3.817 weight 1.000 ! spec=c13n...li-5, no=143, id=1157, vol=1.216920e+01 assign (segid " " and resid 773 and name HA) (segid " " and resid 770 and name HG21) 2.962 1.096 1.096 weight 1.000 ! spec=c13n...li-5, no=144, id=1158, vol=1.949100e+00 assign (segid " " and resid 773 and name HA) (segid " " and resid 773 and name HG11) 2.379 0.707 3.621 weight 1.000 ! spec=c13n...li-5, no=145, id=1159, vol=7.262000e+00 assign (segid " " and resid 773 and name HA) (segid " " and resid 773 and name HG21) 2.534 0.803 3.466 weight 1.000 ! spec=c13n...li-5, no=146, id=1160, vol=4.968000e+00 assign (segid " " and resid 809 and name HB2) (segid " " and resid 809 and name HA) 2.558 0.818 0.818 weight 1.000 ! spec=c13n...li-5, no=149, id=1163, vol=4.691000e+00 assign (segid " " and resid 809 and name HB1) (segid " " and resid 809 and name HA) 2.584 0.835 0.835 weight 1.000 ! spec=c13n...li-5, no=150, id=1164, vol=4.418700e+00 assign (segid " " and resid 809 and name HB2) (segid " " and resid 809 and name HB1) 2.028 0.514 0.514 weight 1.000 ! spec=c13n...li-5, no=151, id=1165, vol=1.888970e+01 assign (segid " " and resid 801 and name HB1) (segid " " and resid 750 and name HD1) 3.044 1.158 1.158 weight 1.000 ! spec=c13n...li-5, no=153, id=1166, vol=1.653000e+00 assign (segid " " and resid 721 and name HA) (segid " " and resid 747 and name HA2) 2.425 0.735 0.735 weight 1.000 ! spec=c13n...li-5, no=155, id=1167, vol=6.465600e+00 assign (segid " " and resid 721 and name HA) (segid " " and resid 722 and name HA) 3.203 1.283 2.797 weight 1.000 ! spec=c13n...li-5, no=156, id=1168, vol=1.217300e+00 assign (segid " " and resid 721 and name HA) (segid " " and resid 721 and name HD2) 3.110 1.209 1.209 weight 1.000 ! spec=c13n...li-5, no=157, id=1169, vol=1.455000e+00 assign (segid " " and resid 721 and name HA) (segid " " and resid 747 and name HA1) 2.466 0.760 0.760 weight 1.000 ! spec=c13n...li-5, no=158, id=1170, vol=5.848600e+00 assign (segid " " and resid 721 and name HA) (segid " " and resid 721 and name HB2) 2.168 0.588 0.588 weight 1.000 ! spec=c13n...li-5, no=159, id=1171, vol=1.266340e+01 assign (segid " " and resid 721 and name HA) (segid " " and resid 721 and name HB1) 2.220 0.616 0.616 weight 1.000 ! spec=c13n...li-5, no=160, id=1172, vol=1.100240e+01 assign (segid " " and resid 721 and name HA) (segid " " and resid 719 and name HG11) 3.026 1.145 2.974 weight 1.000 ! spec=c13n...li-5, no=163, id=1174, vol=1.711800e+00 assign (segid " " and resid 721 and name HA) (segid " " and resid 798 and name HG21) 2.867 1.028 3.133 weight 1.000 ! spec=c13n...li-5, no=164, id=1175, vol=2.367600e+00 assign (segid " " and resid 742 and name HA) (segid " " and resid 742 and name HB2) 2.193 0.601 0.601 weight 1.000 ! spec=c13n...li-5, no=168, id=1177, vol=1.182370e+01 assign (segid " " and resid 742 and name HA) (segid " " and resid 742 and name HG1) 2.995 1.121 1.121 weight 1.000 ! spec=c13n...li-5, no=169, id=1178, vol=1.824100e+00 assign (segid " " and resid 742 and name HA) (segid " " and resid 779 and name HB) 2.716 0.922 3.284 weight 1.000 ! spec=c13n...li-5, no=171, id=1180, vol=3.273600e+00 assign (segid " " and resid 742 and name HA) (segid " " and resid 743 and name HG11) 3.154 1.243 1.243 weight 1.000 ! spec=c13n...li-5, no=172, id=1181, vol=1.337100e+00 assign (segid " " and resid 742 and name HA) (segid " " and resid 779 and name HG11) 2.454 0.753 0.753 weight 1.000 ! spec=c13n...li-5, no=173, id=1182, vol=6.016200e+00 assign (segid " " and resid 742 and name HA) (segid " " and resid 779 and name HG21) 2.617 0.856 0.856 weight 1.000 ! spec=c13n...li-5, no=174, id=1183, vol=4.091500e+00 assign (segid " " and resid 802 and name HA) (segid " " and resid 802 and name HG21) 1.851 0.428 4.149 weight 1.000 ! spec=c13n...li-5, no=176, id=1184, vol=3.273730e+01 assign (segid " " and resid 784 and name HA) (segid " " and resid 738 and name HB2) 2.614 0.854 0.854 weight 1.000 ! spec=c13n...li-5, no=181, id=1188, vol=4.118700e+00 assign (segid " " and resid 784 and name HA) (segid " " and resid 738 and name HB1) 2.596 0.842 0.842 weight 1.000 ! spec=c13n...li-5, no=182, id=1189, vol=4.297300e+00 assign (segid " " and resid 784 and name HA) (segid " " and resid 784 and name HG11) 2.335 0.682 3.665 weight 1.000 ! spec=c13n...li-5, no=184, id=1191, vol=8.105500e+00 assign (segid " " and resid 783 and name HA) (segid " " and resid 783 and name HB2) 2.112 0.558 0.558 weight 1.000 ! spec=c13n...li-5, no=187, id=1193, vol=1.481880e+01 assign (segid " " and resid 783 and name HA) (segid " " and resid 783 and name HB1) 2.190 0.600 3.810 weight 1.000 ! spec=c13n...li-5, no=188, id=1194, vol=1.192340e+01 assign (segid " " and resid 783 and name HA) (segid " " and resid 782 and name HA) 2.986 1.114 3.014 weight 1.000 ! spec=c13n...li-5, no=189, id=1195, vol=1.856600e+00 assign (segid " " and resid 783 and name HA) (segid " " and resid 783 and name HG2) 2.696 0.908 0.908 weight 1.000 ! spec=c13n...li-5, no=190, id=1196, vol=3.429300e+00 assign (segid " " and resid 786 and name HA) (segid " " and resid 785 and name HA) 2.912 1.060 3.088 weight 1.000 ! spec=c13n...li-5, no=191, id=1197, vol=2.157500e+00 assign (segid " " and resid 786 and name HB) (segid " " and resid 786 and name HA) 1.925 0.463 0.463 weight 1.000 ! spec=c13n...li-5, no=192, id=1198, vol=2.587240e+01 assign (segid " " and resid 767 and name HA) (segid " " and resid 766 and name HB2) 3.025 1.144 2.975 weight 1.000 ! spec=c13n...li-5, no=194, id=1200, vol=1.716500e+00 assign (segid " " and resid 750 and name HA) (segid " " and resid 772 and name HB2) 3.135 1.228 1.228 weight 1.000 ! spec=c13n...li-5, no=195, id=1201, vol=1.386700e+00 assign (segid " " and resid 750 and name HA) (segid " " and resid 750 and name HG1) 2.724 0.928 3.276 weight 1.000 ! spec=c13n...li-5, no=196, id=1202, vol=3.219100e+00 assign (segid " " and resid 750 and name HA) (segid " " and resid 772 and name HA) 2.861 1.023 1.023 weight 1.000 ! spec=c13n...li-5, no=198, id=1204, vol=2.396900e+00 assign (segid " " and resid 750 and name HA) (segid " " and resid 749 and name HA1) 2.221 0.616 3.779 weight 1.000 ! spec=c13n...li-5, no=200, id=1206, vol=1.096950e+01 assign (segid " " and resid 786 and name HA) (segid " " and resid 735 and name HG) 2.782 0.967 3.218 weight 1.000 ! spec=c13n...li-5, no=206, id=1210, vol=2.837500e+00 assign (segid " " and resid 786 and name HA) (segid " " and resid 786 and name HG21) 1.872 0.438 4.128 weight 1.000 ! spec=c13n...li-5, no=207, id=1211, vol=3.053660e+01 assign (segid " " and resid 786 and name HA) (segid " " and resid 736 and name HA1) 3.089 1.193 1.193 weight 1.000 ! spec=c13n...li-5, no=209, id=1213, vol=1.514100e+00 assign (segid " " and resid 786 and name HA) (segid " " and resid 735 and name HB2) 2.916 1.063 3.084 weight 1.000 ! spec=c13n...li-5, no=210, id=1214, vol=2.138100e+00 assign (segid " " and resid 780 and name HA) (segid " " and resid 779 and name HA) 3.066 1.175 2.934 weight 1.000 ! spec=c13n...li-5, no=212, id=1216, vol=1.584400e+00 assign (segid " " and resid 780 and name HA) (segid " " and resid 778 and name HE2) 2.214 0.613 0.613 weight 1.000 ! spec=c13n...li-5, no=213, id=1217, vol=1.115900e+01 assign (segid " " and resid 752 and name HA) (segid " " and resid 799 and name HD2) 2.986 1.114 3.000 weight 1.000 ! spec=c13n...li-5, no=218, id=1220, vol=1.857000e+00 assign (segid " " and resid 752 and name HA) (segid " " and resid 773 and name HG21) 2.820 0.994 0.994 weight 1.000 ! spec=c13n...li-5, no=220, id=1222, vol=2.613200e+00 assign (segid " " and resid 767 and name HB) (segid " " and resid 767 and name HA) 2.219 0.615 3.781 weight 1.000 ! spec=c13n...li-5, no=223, id=1224, vol=1.102220e+01 assign (segid " " and resid 767 and name HA) (segid " " and resid 756 and name HB1) 2.918 1.064 2.064 weight 1.000 ! spec=c13n...li-5, no=224, id=1225, vol=2.132400e+00 assign (segid " " and resid 767 and name HA) (segid " " and resid 767 and name HG21) 1.854 0.430 4.146 weight 1.000 ! spec=c13n...li-5, no=225, id=1226, vol=3.233690e+01 assign (segid " " and resid 767 and name HA) (segid " " and resid 766 and name HA) 3.066 1.175 2.934 weight 1.000 ! spec=c13n...li-5, no=226, id=1227, vol=1.583900e+00 assign (segid " " and resid 787 and name HA) (segid " " and resid 786 and name HA) 2.764 0.955 3.236 weight 1.000 ! spec=c13n...li-5, no=229, id=1228, vol=2.950900e+00 assign (segid " " and resid 787 and name HB) (segid " " and resid 787 and name HA) 2.125 0.565 0.565 weight 1.000 ! spec=c13n...li-5, no=230, id=1229, vol=1.426890e+01 assign (segid " " and resid 787 and name HA) (segid " " and resid 787 and name HG21) 1.908 0.455 0.455 weight 1.000 ! spec=c13n...li-5, no=231, id=1230, vol=2.725880e+01 assign (segid " " and resid 787 and name HA) (segid " " and resid 735 and name HD11) 2.641 0.872 3.359 weight 1.000 ! spec=c13n...li-5, no=232, id=1231, vol=3.878400e+00 assign (segid " " and resid 787 and name HA) (segid " " and resid 735 and name HD21) 2.616 0.856 2.384 weight 1.000 ! spec=c13n...li-5, no=233, id=1232, vol=4.100800e+00 assign (segid " " and resid 719 and name HA) (segid " " and resid 721 and name HD2) 2.745 0.942 3.255 weight 1.000 ! spec=c13n...li-5, no=234, id=1233, vol=3.073500e+00 assign (segid " " and resid 719 and name HA) (segid " " and resid 720 and name HA) 2.405 0.723 3.595 weight 1.000 ! spec=c13n...li-5, no=235, id=1234, vol=6.804200e+00 assign (segid " " and resid 782 and name HA) (segid " " and resid 781 and name HB2) 2.865 1.026 3.135 weight 1.000 ! spec=c13n...li-5, no=236, id=1235, vol=2.377400e+00 assign (segid " " and resid 719 and name HA) (segid " " and resid 719 and name HB) 2.000 0.500 4.000 weight 1.000 ! spec=c13n...li-5, no=238, id=1236, vol=2.057060e+01 assign (segid " " and resid 719 and name HA) (segid " " and resid 720 and name HB2) 2.780 0.966 3.220 weight 1.000 ! spec=c13n...li-5, no=239, id=1237, vol=2.851400e+00 assign (segid " " and resid 719 and name HA) (segid " " and resid 719 and name HG21) 1.844 0.425 1.425 weight 1.000 ! spec=c13n...li-5, no=240, id=1238, vol=3.345750e+01 assign (segid " " and resid 782 and name HA) (segid " " and resid 783 and name HG1) 3.140 1.232 1.232 weight 1.000 ! spec=c13n...li-5, no=241, id=1239, vol=1.372500e+00 assign (segid " " and resid 779 and name HA) (segid " " and resid 742 and name HB2) 2.573 0.828 3.427 weight 1.000 ! spec=c13n...li-5, no=244, id=1241, vol=4.532100e+00 assign (segid " " and resid 779 and name HA) (segid " " and resid 779 and name HB) 2.280 0.650 0.650 weight 1.000 ! spec=c13n...li-5, no=246, id=1243, vol=9.368400e+00 assign (segid " " and resid 779 and name HA) (segid " " and resid 779 and name HG11) 2.219 0.616 0.616 weight 1.000 ! spec=c13n...li-5, no=247, id=1244, vol=1.101650e+01 assign (segid " " and resid 779 and name HA) (segid " " and resid 779 and name HG21) 2.185 0.597 0.597 weight 1.000 ! spec=c13n...li-5, no=248, id=1245, vol=1.209280e+01 assign (segid " " and resid 780 and name HA) (segid " " and resid 780 and name HB) 2.122 0.563 3.878 weight 1.000 ! spec=c13n...li-5, no=250, id=1247, vol=1.441390e+01 assign (segid " " and resid 780 and name HA) (segid " " and resid 780 and name HG12) 2.334 0.681 0.681 weight 1.000 ! spec=c13n...li-5, no=251, id=1248, vol=8.133600e+00 assign (segid " " and resid 780 and name HA) (segid " " and resid 780 and name HG11) 2.289 0.655 0.655 weight 1.000 ! spec=c13n...li-5, no=252, id=1249, vol=9.147800e+00 assign (segid " " and resid 780 and name HA) (segid " " and resid 780 and name HD11) 2.532 0.802 3.468 weight 1.000 ! spec=c13n...li-5, no=253, id=1250, vol=4.989000e+00 assign (segid " " and resid 752 and name HA) (segid " " and resid 771 and name HA) 1.941 0.471 0.471 weight 1.000 ! spec=c13n...li-5, no=256, id=1251, vol=2.463310e+01 assign (segid " " and resid 752 and name HB) (segid " " and resid 752 and name HA) 2.417 0.730 0.730 weight 1.000 ! spec=c13n...li-5, no=257, id=1252, vol=6.595100e+00 assign (segid " " and resid 752 and name HA) (segid " " and resid 752 and name HG21) 1.967 0.484 0.484 weight 1.000 ! spec=c13n...li-5, no=258, id=1253, vol=2.272940e+01 assign (segid " " and resid 817 and name HA) (segid " " and resid 818 and name HA) 2.857 1.020 3.143 weight 1.000 ! spec=c13n...li-5, no=260, id=1255, vol=2.419700e+00 assign (segid " " and resid 817 and name HA) (segid " " and resid 733 and name HB2) 2.664 0.887 0.887 weight 1.000 ! spec=c13n...li-5, no=262, id=1256, vol=3.676100e+00 assign (segid " " and resid 817 and name HA) (segid " " and resid 733 and name HB1) 2.358 0.695 0.695 weight 1.000 ! spec=c13n...li-5, no=263, id=1257, vol=7.646200e+00 assign (segid " " and resid 817 and name HA) (segid " " and resid 817 and name HG11) 2.276 0.647 0.647 weight 1.000 ! spec=c13n...li-5, no=264, id=1258, vol=9.474300e+00 assign (segid " " and resid 817 and name HA) (segid " " and resid 817 and name HB) 2.637 0.869 0.869 weight 1.000 ! spec=c13n...li-5, no=265, id=1259, vol=3.910700e+00 assign (segid " " and resid 817 and name HA) (segid " " and resid 817 and name HG21) 2.361 0.697 0.697 weight 1.000 ! spec=c13n...li-5, no=266, id=1260, vol=7.587600e+00 assign (segid " " and resid 787 and name HA) (segid " " and resid 788 and name HA2) 3.151 1.241 1.241 weight 1.000 ! spec=c13n...li-5, no=267, id=1261, vol=1.344200e+00 assign (segid " " and resid 806 and name HA) (segid " " and resid 806 and name HB) 2.217 0.614 3.783 weight 1.000 ! spec=c13n...li-5, no=269, id=1262, vol=1.108450e+01 assign (segid " " and resid 806 and name HA) (segid " " and resid 806 and name HG21) 2.148 0.577 0.577 weight 1.000 ! spec=c13n...li-5, no=270, id=1263, vol=1.340170e+01 assign (segid " " and resid 782 and name HB) (segid " " and resid 782 and name HA) 2.080 0.541 0.541 weight 1.000 ! spec=c13n...li-5, no=271, id=1264, vol=1.625470e+01 assign (segid " " and resid 782 and name HA) (segid " " and resid 783 and name HD2) 2.221 0.617 0.617 weight 1.000 ! spec=c13n...li-5, no=272, id=1265, vol=1.095920e+01 assign (segid " " and resid 782 and name HA) (segid " " and resid 783 and name HD1) 2.281 0.650 0.650 weight 1.000 ! spec=c13n...li-5, no=273, id=1266, vol=9.350800e+00 assign (segid " " and resid 782 and name HA) (segid " " and resid 783 and name HB1) 3.102 1.203 2.898 weight 1.000 ! spec=c13n...li-5, no=274, id=1267, vol=1.475400e+00 assign (segid " " and resid 782 and name HA) (segid " " and resid 782 and name HG21) 2.075 0.538 0.538 weight 1.000 ! spec=c13n...li-5, no=276, id=1268, vol=1.647650e+01 assign (segid " " and resid 782 and name HA) (segid " " and resid 780 and name HG21) 2.956 1.092 1.092 weight 1.000 ! spec=c13n...li-5, no=277, id=1269, vol=1.971100e+00 assign (segid " " and resid 754 and name HA) (segid " " and resid 796 and name HB) 2.854 1.018 3.146 weight 1.000 ! spec=c13n...li-5, no=279, id=1271, vol=2.432700e+00 assign (segid " " and resid 754 and name HB) (segid " " and resid 754 and name HA) 2.282 0.651 0.651 weight 1.000 ! spec=c13n...li-5, no=283, id=1273, vol=9.315200e+00 assign (segid " " and resid 754 and name HA) (segid " " and resid 769 and name HG2) 2.646 0.875 0.875 weight 1.000 ! spec=c13n...li-5, no=284, id=1274, vol=3.832300e+00 assign (segid " " and resid 754 and name HA) (segid " " and resid 769 and name HB1) 2.568 0.824 0.824 weight 1.000 ! spec=c13n...li-5, no=285, id=1275, vol=4.586900e+00 assign (segid " " and resid 754 and name HA) (segid " " and resid 754 and name HG21) 1.883 0.443 0.443 weight 1.000 ! spec=c13n...li-5, no=286, id=1276, vol=2.948310e+01 assign (segid " " and resid 805 and name HA) (segid " " and resid 799 and name HA) 2.036 0.518 0.518 weight 1.000 ! spec=c13n...li-5, no=288, id=1277, vol=1.844270e+01 assign (segid " " and resid 805 and name HA) (segid " " and resid 805 and name HB) 2.266 0.642 0.642 weight 1.000 ! spec=c13n...li-5, no=291, id=1279, vol=9.707600e+00 assign (segid " " and resid 758 and name HA) (segid " " and resid 759 and name HG1) 3.095 1.198 1.198 weight 1.000 ! spec=c13n...li-5, no=292, id=1280, vol=1.495400e+00 assign (segid " " and resid 805 and name HA) (segid " " and resid 799 and name HB1) 2.535 0.803 0.803 weight 1.000 ! spec=c13n...li-5, no=293, id=1281, vol=4.952900e+00 assign (segid " " and resid 758 and name HA) (segid " " and resid 758 and name HG11) 2.344 0.687 3.656 weight 1.000 ! spec=c13n...li-5, no=295, id=1283, vol=7.927100e+00 assign (segid " " and resid 805 and name HA) (segid " " and resid 805 and name HG21) 2.250 0.633 3.750 weight 1.000 ! spec=c13n...li-5, no=296, id=1284, vol=1.012550e+01 assign (segid " " and resid 806 and name HA) (segid " " and resid 806 and name HG11) 2.031 0.515 3.969 weight 1.000 ! spec=c13n...li-5, no=297, id=1285, vol=1.876630e+01 assign (segid " " and resid 782 and name HA) (segid " " and resid 783 and name HG2) 3.094 1.197 1.197 weight 1.000 ! spec=c13n...li-5, no=298, id=1286, vol=1.499000e+00 assign (segid " " and resid 757 and name HA) (segid " " and resid 757 and name HB) 2.517 0.792 0.792 weight 1.000 ! spec=c13n...li-5, no=301, id=1288, vol=5.170400e+00 assign (segid " " and resid 757 and name HA) (segid " " and resid 793 and name HG) 2.708 0.916 3.292 weight 1.000 ! spec=c13n...li-5, no=303, id=1290, vol=3.339000e+00 assign (segid " " and resid 757 and name HA) (segid " " and resid 758 and name HG12) 3.041 1.156 1.156 weight 1.000 ! spec=c13n...li-5, no=304, id=1291, vol=1.662700e+00 assign (segid " " and resid 757 and name HA) (segid " " and resid 757 and name HG12) 2.317 0.671 0.671 weight 1.000 ! spec=c13n...li-5, no=305, id=1292, vol=8.501900e+00 assign (segid " " and resid 757 and name HA) (segid " " and resid 757 and name HD11) 2.485 0.772 3.515 weight 1.000 ! spec=c13n...li-5, no=307, id=1294, vol=5.582900e+00 assign (segid " " and resid 758 and name HA) (segid " " and resid 759 and name HA) 3.191 1.273 1.273 weight 1.000 ! spec=c13n...li-5, no=309, id=1296, vol=1.246000e+00 assign (segid " " and resid 801 and name HA) (segid " " and resid 800 and name HA) 3.034 1.151 1.151 weight 1.000 ! spec=c13n...li-5, no=310, id=1297, vol=1.685700e+00 assign (segid " " and resid 801 and name HB2) (segid " " and resid 801 and name HA) 2.319 0.672 0.672 weight 1.000 ! spec=c13n...li-5, no=311, id=1298, vol=8.464200e+00 assign (segid " " and resid 801 and name HB1) (segid " " and resid 801 and name HA) 2.435 0.741 0.741 weight 1.000 ! spec=c13n...li-5, no=312, id=1299, vol=6.305500e+00 assign (segid " " and resid 801 and name HA) (segid " " and resid 750 and name HD1) 2.882 1.038 3.118 weight 1.000 ! spec=c13n...li-5, no=313, id=1300, vol=2.295800e+00 assign (segid " " and resid 801 and name HA) (segid " " and resid 802 and name HG21) 3.142 1.234 2.858 weight 1.000 ! spec=c13n...li-5, no=314, id=1301, vol=1.367600e+00 assign (segid " " and resid 758 and name HA) (segid " " and resid 758 and name HB) 2.338 0.683 0.683 weight 1.000 ! spec=c13n...li-5, no=317, id=1303, vol=8.059200e+00 assign (segid " " and resid 758 and name HA) (segid " " and resid 765 and name HB1) 2.542 0.808 0.808 weight 1.000 ! spec=c13n...li-5, no=318, id=1304, vol=4.874000e+00 assign (segid " " and resid 758 and name HA) (segid " " and resid 758 and name HG12) 2.449 0.750 3.551 weight 1.000 ! spec=c13n...li-5, no=319, id=1305, vol=6.096300e+00 assign (segid " " and resid 758 and name HA) (segid " " and resid 765 and name HG2) 2.889 1.043 1.043 weight 1.000 ! spec=c13n...li-5, no=320, id=1306, vol=2.261600e+00 assign (segid " " and resid 758 and name HA) (segid " " and resid 758 and name HG21) 2.190 0.600 0.600 weight 1.000 ! spec=c13n...li-5, no=321, id=1307, vol=1.191770e+01 assign (segid " " and resid 758 and name HA) (segid " " and resid 758 and name HD11) 2.388 0.713 3.612 weight 1.000 ! spec=c13n...li-5, no=322, id=1308, vol=7.092300e+00 assign (segid " " and resid 815 and name HA) (segid " " and resid 815 and name HB) 2.187 0.598 3.813 weight 1.000 ! spec=c13n...li-5, no=324, id=1309, vol=1.200760e+01 assign (segid " " and resid 815 and name HA) (segid " " and resid 731 and name HB1) 2.417 0.730 0.730 weight 1.000 ! spec=c13n...li-5, no=325, id=1310, vol=6.599900e+00 assign (segid " " and resid 815 and name HA) (segid " " and resid 815 and name HG21) 2.452 0.752 0.752 weight 1.000 ! spec=c13n...li-5, no=326, id=1311, vol=6.046700e+00 assign (segid " " and resid 743 and name HA) (segid " " and resid 744 and name HA) 3.033 1.150 2.967 weight 1.000 ! spec=c13n...li-5, no=328, id=1312, vol=1.688400e+00 assign (segid " " and resid 743 and name HA) (segid " " and resid 725 and name HA) 1.959 0.480 0.480 weight 1.000 ! spec=c13n...li-5, no=330, id=1313, vol=2.327840e+01 assign (segid " " and resid 743 and name HA) (segid " " and resid 743 and name HB) 2.244 0.629 0.629 weight 1.000 ! spec=c13n...li-5, no=331, id=1314, vol=1.030430e+01 assign (segid " " and resid 743 and name HA) (segid " " and resid 725 and name HB2) 2.760 0.952 0.952 weight 1.000 ! spec=c13n...li-5, no=332, id=1315, vol=2.977400e+00 assign (segid " " and resid 743 and name HA) (segid " " and resid 725 and name HG) 3.067 1.176 2.933 weight 1.000 ! spec=c13n...li-5, no=333, id=1316, vol=1.580400e+00 assign (segid " " and resid 743 and name HA) (segid " " and resid 726 and name HG2) 2.575 0.829 0.829 weight 1.000 ! spec=c13n...li-5, no=334, id=1317, vol=4.508000e+00 assign (segid " " and resid 743 and name HA) (segid " " and resid 726 and name HG1) 2.613 0.853 0.853 weight 1.000 ! spec=c13n...li-5, no=335, id=1318, vol=4.136200e+00 assign (segid " " and resid 743 and name HA) (segid " " and resid 743 and name HG21) 2.112 0.558 0.558 weight 1.000 ! spec=c13n...li-5, no=336, id=1319, vol=1.480610e+01 assign (segid " " and resid 743 and name HA) (segid " " and resid 725 and name HD21) 2.428 0.737 3.572 weight 1.000 ! spec=c13n...li-5, no=337, id=1320, vol=6.421300e+00 assign (segid " " and resid 815 and name HA) (segid " " and resid 816 and name HA) 3.089 1.192 2.911 weight 1.000 ! spec=c13n...li-5, no=338, id=1321, vol=1.515100e+00 assign (segid " " and resid 815 and name HA) (segid " " and resid 731 and name HB2) 2.287 0.654 0.654 weight 1.000 ! spec=c13n...li-5, no=339, id=1322, vol=9.194400e+00 assign (segid " " and resid 815 and name HA) (segid " " and resid 815 and name HG12) 2.294 0.658 0.658 weight 1.000 ! spec=c13n...li-5, no=341, id=1324, vol=9.022700e+00 assign (segid " " and resid 815 and name HA) (segid " " and resid 815 and name HD11) 2.378 0.707 3.622 weight 1.000 ! spec=c13n...li-5, no=342, id=1325, vol=7.279000e+00 assign (segid " " and resid 792 and name HA) (segid " " and resid 814 and name HB2) 3.050 1.163 2.950 weight 1.000 ! spec=c13n...li-5, no=351, id=1326, vol=1.634100e+00 assign (segid " " and resid 792 and name HA) (segid " " and resid 792 and name HB) 2.480 0.769 0.769 weight 1.000 ! spec=c13n...li-5, no=361, id=1332, vol=5.650400e+00 assign (segid " " and resid 792 and name HA) (segid " " and resid 792 and name HG12) 2.561 0.820 0.820 weight 1.000 ! spec=c13n...li-5, no=362, id=1333, vol=4.666200e+00 assign (segid " " and resid 792 and name HA) (segid " " and resid 792 and name HG11) 2.470 0.762 0.762 weight 1.000 ! spec=c13n...li-5, no=363, id=1334, vol=5.798000e+00 assign (segid " " and resid 741 and name HA) (segid " " and resid 742 and name HD2) 2.093 0.547 0.547 weight 1.000 ! spec=c13n...li-5, no=366, id=1336, vol=1.566860e+01 assign (segid " " and resid 741 and name HA) (segid " " and resid 742 and name HG1) 3.091 1.194 1.194 weight 1.000 ! spec=c13n...li-5, no=368, id=1338, vol=1.508100e+00 assign (segid " " and resid 741 and name HA) (segid " " and resid 741 and name HB) 2.497 0.779 0.779 weight 1.000 ! spec=c13n...li-5, no=370, id=1340, vol=5.432000e+00 assign (segid " " and resid 741 and name HA) (segid " " and resid 780 and name HB) 2.981 1.111 3.019 weight 1.000 ! spec=c13n...li-5, no=371, id=1341, vol=1.872600e+00 assign (segid " " and resid 741 and name HA) (segid " " and resid 727 and name HB2) 2.933 1.075 1.075 weight 1.000 ! spec=c13n...li-5, no=372, id=1342, vol=2.067000e+00 assign (segid " " and resid 741 and name HA) (segid " " and resid 731 and name HD11) 2.701 0.912 2.300 weight 1.000 ! spec=c13n...li-5, no=373, id=1343, vol=3.387100e+00 assign (segid " " and resid 741 and name HA) (segid " " and resid 741 and name HG11) 2.223 0.617 3.777 weight 1.000 ! spec=c13n...li-5, no=374, id=1344, vol=1.091170e+01 assign (segid " " and resid 741 and name HA) (segid " " and resid 741 and name HG21) 2.225 0.619 3.775 weight 1.000 ! spec=c13n...li-5, no=375, id=1345, vol=1.083440e+01 assign (segid " " and resid 770 and name HA) (segid " " and resid 770 and name HB) 2.540 0.807 0.807 weight 1.000 ! spec=c13n...li-5, no=377, id=1346, vol=4.896400e+00 assign (segid " " and resid 770 and name HA) (segid " " and resid 769 and name HG1) 3.008 1.131 1.131 weight 1.000 ! spec=c13n...li-5, no=378, id=1347, vol=1.775200e+00 assign (segid " " and resid 770 and name HA) (segid " " and resid 770 and name HD11) 2.039 0.520 3.961 weight 1.000 ! spec=c13n...li-5, no=380, id=1349, vol=1.830180e+01 assign (segid " " and resid 770 and name HA) (segid " " and resid 770 and name HG21) 2.193 0.601 3.807 weight 1.000 ! spec=c13n...li-5, no=381, id=1350, vol=1.183580e+01 assign (segid " " and resid 785 and name HA) (segid " " and resid 785 and name HD1) 2.811 0.988 0.988 weight 1.000 ! spec=c13n...li-5, no=382, id=1351, vol=2.666500e+00 assign (segid " " and resid 785 and name HA) (segid " " and resid 786 and name HG21) 2.706 0.915 3.294 weight 1.000 ! spec=c13n...li-5, no=384, id=1353, vol=3.349200e+00 assign (segid " " and resid 785 and name HA) (segid " " and resid 784 and name HG21) 3.006 1.130 2.130 weight 1.000 ! spec=c13n...li-5, no=385, id=1354, vol=1.782500e+00 assign (segid " " and resid 762 and name HB2) (segid " " and resid 762 and name HA) 2.363 0.698 0.698 weight 1.000 ! spec=c13n...li-5, no=386, id=1355, vol=7.559000e+00 assign (segid " " and resid 762 and name HA) (segid " " and resid 762 and name HB1) 2.509 0.787 0.787 weight 1.000 ! spec=c13n...li-5, no=387, id=1356, vol=5.274200e+00 assign (segid " " and resid 797 and name HA) (segid " " and resid 808 and name HA) 3.040 1.155 1.155 weight 1.000 ! spec=c13n...li-5, no=389, id=1357, vol=1.666200e+00 assign (segid " " and resid 798 and name HA) (segid " " and resid 753 and name HD11) 2.450 0.750 3.050 weight 1.000 ! spec=c13n...li-5, no=391, id=1358, vol=6.079700e+00 assign (segid " " and resid 798 and name HA) (segid " " and resid 753 and name HA) 2.113 0.558 0.558 weight 1.000 ! spec=c13n...li-5, no=393, id=1359, vol=1.479860e+01 assign (segid " " and resid 798 and name HA) (segid " " and resid 798 and name HB) 1.989 0.495 4.011 weight 1.000 ! spec=c13n...li-5, no=394, id=1360, vol=2.123660e+01 assign (segid " " and resid 798 and name HA) (segid " " and resid 798 and name HG11) 2.128 0.566 3.872 weight 1.000 ! spec=c13n...li-5, no=395, id=1361, vol=1.417620e+01 assign (segid " " and resid 798 and name HA) (segid " " and resid 798 and name HG12) 2.317 0.671 0.671 weight 1.000 ! spec=c13n...li-5, no=396, id=1362, vol=8.496000e+00 assign (segid " " and resid 761 and name HA) (segid " " and resid 761 and name HB2) 2.160 0.583 0.583 weight 1.000 ! spec=c13n...li-5, no=398, id=1364, vol=1.295700e+01 assign (segid " " and resid 761 and name HA) (segid " " and resid 761 and name HB1) 2.164 0.585 3.836 weight 1.000 ! spec=c13n...li-5, no=399, id=1365, vol=1.282420e+01 assign (segid " " and resid 722 and name HB2) (segid " " and resid 722 and name HA) 2.582 0.833 0.833 weight 1.000 ! spec=c13n...li-5, no=400, id=1366, vol=4.440700e+00 assign (segid " " and resid 797 and name HB2) (segid " " and resid 797 and name HA) 2.665 0.888 0.888 weight 1.000 ! spec=c13n...li-5, no=401, id=1367, vol=3.673300e+00 assign (segid " " and resid 797 and name HA) (segid " " and resid 807 and name HA2) 2.361 0.697 3.639 weight 1.000 ! spec=c13n...li-5, no=403, id=1368, vol=7.595000e+00 assign (segid " " and resid 797 and name HA) (segid " " and resid 807 and name HA1) 2.342 0.686 3.658 weight 1.000 ! spec=c13n...li-5, no=404, id=1369, vol=7.962500e+00 assign (segid " " and resid 797 and name HA) (segid " " and resid 808 and name HG) 2.097 0.549 2.549 weight 1.000 ! spec=c13n...li-5, no=405, id=1370, vol=1.548610e+01 assign (segid " " and resid 797 and name HA) (segid " " and resid 808 and name HB2) 2.922 1.067 1.067 weight 1.000 ! spec=c13n...li-5, no=406, id=1371, vol=2.113000e+00 assign (segid " " and resid 797 and name HA) (segid " " and resid 808 and name HB1) 2.877 1.034 3.123 weight 1.000 ! spec=c13n...li-5, no=407, id=1372, vol=2.321800e+00 assign (segid " " and resid 797 and name HA) (segid " " and resid 808 and name HD21) 2.584 0.835 3.416 weight 1.000 ! spec=c13n...li-5, no=408, id=1373, vol=4.418500e+00 assign (segid " " and resid 797 and name HA) (segid " " and resid 808 and name HD11) 2.426 0.736 0.736 weight 1.000 ! spec=c13n...li-5, no=410, id=1375, vol=6.446600e+00 assign (segid " " and resid 734 and name HA) (segid " " and resid 733 and name HA) 2.831 1.002 3.169 weight 1.000 ! spec=c13n...li-5, no=411, id=1376, vol=2.554500e+00 assign (segid " " and resid 734 and name HA) (segid " " and resid 734 and name HB2) 2.654 0.880 0.880 weight 1.000 ! spec=c13n...li-5, no=412, id=1377, vol=3.765900e+00 assign (segid " " and resid 734 and name HA) (segid " " and resid 819 and name HA) 3.124 1.220 1.220 weight 1.000 ! spec=c13n...li-5, no=414, id=1378, vol=1.414700e+00 assign (segid " " and resid 739 and name HB2) (segid " " and resid 739 and name HA) 2.553 0.815 0.815 weight 1.000 ! spec=c13n...li-5, no=416, id=1379, vol=4.746300e+00 assign (segid " " and resid 739 and name HB1) (segid " " and resid 739 and name HA) 2.598 0.844 0.844 weight 1.000 ! spec=c13n...li-5, no=417, id=1380, vol=4.279700e+00 assign (segid " " and resid 724 and name HB2) (segid " " and resid 724 and name HA) 2.545 0.809 0.809 weight 1.000 ! spec=c13n...li-5, no=418, id=1381, vol=4.844400e+00 assign (segid " " and resid 724 and name HB1) (segid " " and resid 724 and name HA) 2.532 0.801 0.801 weight 1.000 ! spec=c13n...li-5, no=419, id=1382, vol=4.990800e+00 assign (segid " " and resid 761 and name HA) (segid " " and resid 760 and name HG21) 3.110 1.209 2.890 weight 1.000 ! spec=c13n...li-5, no=420, id=1383, vol=1.454200e+00 assign (segid " " and resid 724 and name HA) (segid " " and resid 725 and name HB1) 2.595 0.842 3.405 weight 1.000 ! spec=c13n...li-5, no=422, id=1384, vol=4.308400e+00 assign (segid " " and resid 775 and name HA) (segid " " and resid 774 and name HA) 2.161 0.584 3.839 weight 1.000 ! spec=c13n...li-5, no=423, id=1385, vol=1.293010e+01 assign (segid " " and resid 774 and name HA) (segid " " and resid 775 and name HB) 2.378 0.707 3.622 weight 1.000 ! spec=c13n...li-5, no=424, id=1386, vol=7.275000e+00 assign (segid " " and resid 774 and name HA) (segid " " and resid 749 and name HA1) 2.994 1.120 1.120 weight 1.000 ! spec=c13n...li-5, no=427, id=1388, vol=1.827900e+00 assign (segid " " and resid 774 and name HA) (segid " " and resid 750 and name HD2) 3.005 1.129 2.995 weight 1.000 ! spec=c13n...li-5, no=429, id=1390, vol=1.786500e+00 assign (segid " " and resid 774 and name HA) (segid " " and resid 774 and name HB2) 2.087 0.544 3.913 weight 1.000 ! spec=c13n...li-5, no=430, id=1391, vol=1.593720e+01 assign (segid " " and resid 768 and name HA) (segid " " and resid 769 and name HB2) 2.342 0.686 3.658 weight 1.000 ! spec=c13n...li-5, no=431, id=1392, vol=7.971800e+00 assign (segid " " and resid 774 and name HA) (segid " " and resid 774 and name HB1) 2.253 0.635 0.635 weight 1.000 ! spec=c13n...li-5, no=432, id=1393, vol=1.004930e+01 assign (segid " " and resid 774 and name HA) (segid " " and resid 774 and name HG1) 2.433 0.740 0.740 weight 1.000 ! spec=c13n...li-5, no=434, id=1395, vol=6.341500e+00 assign (segid " " and resid 774 and name HA) (segid " " and resid 774 and name HG2) 2.230 0.621 0.621 weight 1.000 ! spec=c13n...li-5, no=435, id=1396, vol=1.070180e+01 assign (segid " " and resid 722 and name HB1) (segid " " and resid 722 and name HA) 2.705 0.914 0.914 weight 1.000 ! spec=c13n...li-5, no=437, id=1397, vol=3.359600e+00 assign (segid " " and resid 722 and name HA) (segid " " and resid 723 and name HA) 3.006 1.130 2.994 weight 1.000 ! spec=c13n...li-5, no=438, id=1398, vol=1.782000e+00 assign (segid " " and resid 722 and name HA) (segid " " and resid 723 and name HB1) 2.131 0.568 3.869 weight 1.000 ! spec=c13n...li-5, no=440, id=1399, vol=1.405210e+01 assign (segid " " and resid 722 and name HA) (segid " " and resid 753 and name HD11) 2.603 0.847 3.400 weight 1.000 ! spec=c13n...li-5, no=441, id=1400, vol=4.233300e+00 assign (segid " " and resid 722 and name HA) (segid " " and resid 798 and name HD11) 2.080 0.541 3.920 weight 1.000 ! spec=c13n...li-5, no=442, id=1401, vol=1.626420e+01 assign (segid " " and resid 735 and name HA) (segid " " and resid 735 and name HB2) 2.112 0.558 0.558 weight 1.000 ! spec=c13n...li-5, no=444, id=1402, vol=1.481230e+01 assign (segid " " and resid 740 and name HB2) (segid " " and resid 740 and name HA) 2.815 0.991 0.991 weight 1.000 ! spec=c13n...li-5, no=447, id=1405, vol=2.643600e+00 assign (segid " " and resid 740 and name HB1) (segid " " and resid 740 and name HA) 2.641 0.872 0.872 weight 1.000 ! spec=c13n...li-5, no=448, id=1406, vol=3.877300e+00 assign (segid " " and resid 740 and name HA) (segid " " and resid 781 and name HA) 2.037 0.519 0.519 weight 1.000 ! spec=c13n...li-5, no=449, id=1407, vol=1.840640e+01 assign (segid " " and resid 734 and name HA) (segid " " and resid 734 and name HB1) 2.911 1.059 1.059 weight 1.000 ! spec=c13n...li-5, no=451, id=1409, vol=2.160600e+00 assign (segid " " and resid 817 and name HA) (segid " " and resid 734 and name HA) 2.968 1.101 3.032 weight 1.000 ! spec=c13n...li-5, no=452, id=1410, vol=1.924400e+00 assign (segid " " and resid 734 and name HA) (segid " " and resid 819 and name HB1) 2.798 0.979 3.202 weight 1.000 ! spec=c13n...li-5, no=453, id=1411, vol=2.739700e+00 assign (segid " " and resid 734 and name HA) (segid " " and resid 735 and name HB2) 3.183 1.266 2.817 weight 1.000 ! spec=c13n...li-5, no=454, id=1412, vol=1.265300e+00 assign (segid " " and resid 734 and name HA) (segid " " and resid 735 and name HB1) 2.921 1.067 3.079 weight 1.000 ! spec=c13n...li-5, no=455, id=1413, vol=2.117400e+00 assign (segid " " and resid 734 and name HA) (segid " " and resid 817 and name HG11) 2.934 1.076 3.066 weight 1.000 ! spec=c13n...li-5, no=456, id=1414, vol=2.061100e+00 assign (segid " " and resid 778 and name HA) (segid " " and resid 778 and name HE1) 2.972 1.104 3.028 weight 1.000 ! spec=c13n...li-5, no=458, id=1416, vol=1.907700e+00 assign (segid " " and resid 778 and name HA) (segid " " and resid 778 and name HB2) 2.224 0.618 0.618 weight 1.000 ! spec=c13n...li-5, no=459, id=1417, vol=1.086730e+01 assign (segid " " and resid 778 and name HA) (segid " " and resid 778 and name HB1) 2.497 0.780 0.780 weight 1.000 ! spec=c13n...li-5, no=460, id=1418, vol=5.421900e+00 assign (segid " " and resid 778 and name HA) (segid " " and resid 779 and name HG11) 2.716 0.922 3.284 weight 1.000 ! spec=c13n...li-5, no=462, id=1420, vol=3.275700e+00 assign (segid " " and resid 778 and name HA) (segid " " and resid 777 and name HB2) 3.069 1.177 2.931 weight 1.000 ! spec=c13n...li-5, no=463, id=1421, vol=1.574900e+00 assign (segid " " and resid 724 and name HA) (segid " " and resid 723 and name HB1) 2.933 1.076 3.067 weight 1.000 ! spec=c13n...li-5, no=464, id=1422, vol=2.064300e+00 assign (segid " " and resid 724 and name HA) (segid " " and resid 725 and name HD21) 2.194 0.602 3.806 weight 1.000 ! spec=c13n...li-5, no=465, id=1423, vol=1.179770e+01 assign (segid " " and resid 764 and name HA) (segid " " and resid 764 and name HB2) 1.871 0.438 4.129 weight 1.000 ! spec=c13n...li-5, no=467, id=1425, vol=3.064750e+01 assign (segid " " and resid 764 and name HA) (segid " " and resid 764 and name HG1) 2.080 0.541 0.541 weight 1.000 ! spec=c13n...li-5, no=468, id=1426, vol=1.623080e+01 assign (segid " " and resid 735 and name HA) (segid " " and resid 819 and name HA) 2.912 1.060 1.060 weight 1.000 ! spec=c13n...li-5, no=469, id=1427, vol=2.158200e+00 assign (segid " " and resid 740 and name HA) (segid " " and resid 782 and name HG21) 2.938 1.079 3.062 weight 1.000 ! spec=c13n...li-5, no=474, id=1430, vol=2.046300e+00 assign (segid " " and resid 791 and name HA) (segid " " and resid 758 and name HD11) 2.971 1.104 1.104 weight 1.000 ! spec=c13n...li-5, no=475, id=1431, vol=1.910900e+00 assign (segid " " and resid 740 and name HA) (segid " " and resid 779 and name HG21) 2.662 0.886 3.338 weight 1.000 ! spec=c13n...li-5, no=476, id=1432, vol=3.693000e+00 assign (segid " " and resid 751 and name HA) (segid " " and resid 751 and name HB1) 3.011 1.133 1.133 weight 1.000 ! spec=c13n...li-5, no=477, id=1433, vol=1.764600e+00 assign (segid " " and resid 751 and name HA) (segid " " and resid 751 and name HE1) 3.123 1.219 2.877 weight 1.000 ! spec=c13n...li-5, no=478, id=1434, vol=1.417100e+00 assign (segid " " and resid 751 and name HA) (segid " " and resid 751 and name HB2) 2.393 0.716 0.716 weight 1.000 ! spec=c13n...li-5, no=481, id=1436, vol=7.005300e+00 assign (segid " " and resid 751 and name HA) (segid " " and resid 800 and name HB1) 2.921 1.067 3.079 weight 1.000 ! spec=c13n...li-5, no=482, id=1437, vol=2.115600e+00 assign (segid " " and resid 751 and name HA) (segid " " and resid 799 and name HB2) 3.055 1.167 2.945 weight 1.000 ! spec=c13n...li-5, no=483, id=1438, vol=1.618200e+00 assign (segid " " and resid 751 and name HA) (segid " " and resid 798 and name HD11) 3.096 1.198 2.904 weight 1.000 ! spec=c13n...li-5, no=484, id=1439, vol=1.494400e+00 assign (segid " " and resid 778 and name HA) (segid " " and resid 778 and name HD1) 2.809 0.987 0.987 weight 1.000 ! spec=c13n...li-5, no=485, id=1440, vol=2.675000e+00 assign (segid " " and resid 778 and name HA) (segid " " and resid 779 and name HB) 3.042 1.157 2.958 weight 1.000 ! spec=c13n...li-5, no=486, id=1441, vol=1.660700e+00 assign (segid " " and resid 778 and name HA) (segid " " and resid 775 and name HG21) 2.584 0.835 3.416 weight 1.000 ! spec=c13n...li-5, no=487, id=1442, vol=4.418200e+00 assign (segid " " and resid 768 and name HA) (segid " " and resid 768 and name HD1) 2.898 1.050 1.050 weight 1.000 ! spec=c13n...li-5, no=488, id=1443, vol=2.218900e+00 assign (segid " " and resid 768 and name HA) (segid " " and resid 769 and name HA) 2.984 1.113 3.016 weight 1.000 ! spec=c13n...li-5, no=489, id=1444, vol=1.862300e+00 assign (segid " " and resid 768 and name HA) (segid " " and resid 768 and name HB2) 2.347 0.689 0.689 weight 1.000 ! spec=c13n...li-5, no=490, id=1445, vol=7.864800e+00 assign (segid " " and resid 768 and name HA) (segid " " and resid 768 and name HB1) 2.718 0.924 0.924 weight 1.000 ! spec=c13n...li-5, no=491, id=1446, vol=3.260300e+00 assign (segid " " and resid 768 and name HA) (segid " " and resid 767 and name HG21) 2.373 0.704 3.627 weight 1.000 ! spec=c13n...li-5, no=492, id=1447, vol=7.365900e+00 assign (segid " " and resid 764 and name HA) (segid " " and resid 759 and name HG2) 2.427 0.736 3.573 weight 1.000 ! spec=c13n...li-5, no=494, id=1449, vol=6.438400e+00 assign (segid " " and resid 819 and name HA) (segid " " and resid 735 and name HB1) 2.120 0.562 0.562 weight 1.000 ! spec=c13n...li-5, no=496, id=1451, vol=1.448430e+01 assign (segid " " and resid 772 and name HA) (segid " " and resid 772 and name HB2) 2.085 0.543 0.543 weight 1.000 ! spec=c13n...li-5, no=502, id=1455, vol=1.603200e+01 assign (segid " " and resid 772 and name HA) (segid " " and resid 772 and name HB1) 2.157 0.582 3.843 weight 1.000 ! spec=c13n...li-5, no=504, id=1457, vol=1.304580e+01 assign (segid " " and resid 772 and name HA) (segid " " and resid 750 and name HG1) 2.672 0.893 3.328 weight 1.000 ! spec=c13n...li-5, no=505, id=1458, vol=3.611700e+00 assign (segid " " and resid 772 and name HA) (segid " " and resid 750 and name HB1) 2.136 0.570 3.864 weight 1.000 ! spec=c13n...li-5, no=506, id=1459, vol=1.386520e+01 assign (segid " " and resid 755 and name HA) (segid " " and resid 795 and name HD21) 2.706 0.915 2.500 weight 1.000 ! spec=c13n...li-5, no=507, id=1460, vol=3.351200e+00 assign (segid " " and resid 819 and name HA) (segid " " and resid 819 and name HD1) 2.730 0.932 0.932 weight 1.000 ! spec=c13n...li-5, no=508, id=1461, vol=3.174300e+00 assign (segid " " and resid 819 and name HA) (segid " " and resid 735 and name HD11) 2.628 0.863 0.863 weight 1.000 ! spec=c13n...li-5, no=509, id=1462, vol=3.990200e+00 assign (segid " " and resid 819 and name HA) (segid " " and resid 735 and name HD21) 2.791 0.973 3.209 weight 1.000 ! spec=c13n...li-5, no=510, id=1463, vol=2.784900e+00 assign (segid " " and resid 791 and name HA) (segid " " and resid 759 and name HA) 2.264 0.641 0.641 weight 1.000 ! spec=c13n...li-5, no=512, id=1465, vol=9.772100e+00 assign (segid " " and resid 791 and name HA) (segid " " and resid 760 and name HG21) 2.316 0.671 0.671 weight 1.000 ! spec=c13n...li-5, no=514, id=1467, vol=8.520600e+00 assign (segid " " and resid 754 and name HB) (segid " " and resid 755 and name HA) 3.030 1.148 1.148 weight 1.000 ! spec=c13n...li-5, no=518, id=1470, vol=1.699900e+00 assign (segid " " and resid 755 and name HA) (segid " " and resid 755 and name HB2) 2.343 0.686 0.686 weight 1.000 ! spec=c13n...li-5, no=519, id=1471, vol=7.953400e+00 assign (segid " " and resid 755 and name HA) (segid " " and resid 755 and name HB1) 2.427 0.736 0.736 weight 1.000 ! spec=c13n...li-5, no=520, id=1472, vol=6.436200e+00 assign (segid " " and resid 755 and name HA) (segid " " and resid 796 and name HB) 2.419 0.731 0.731 weight 1.000 ! spec=c13n...li-5, no=521, id=1473, vol=6.570500e+00 assign (segid " " and resid 755 and name HA) (segid " " and resid 754 and name HG21) 2.601 0.845 3.399 weight 1.000 ! spec=c13n...li-5, no=522, id=1474, vol=4.252300e+00 assign (segid " " and resid 755 and name HA) (segid " " and resid 796 and name HG11) 2.245 0.630 3.755 weight 1.000 ! spec=c13n...li-5, no=523, id=1475, vol=1.027380e+01 assign (segid " " and resid 755 and name HA) (segid " " and resid 768 and name HN) 3.207 1.285 2.793 weight 1.000 ! spec=c13n...li-5, no=524, id=1476, vol=1.210100e+00 assign (segid " " and resid 771 and name HA) (segid " " and resid 772 and name HG2) 3.003 1.127 1.127 weight 1.000 ! spec=c13n...li-5, no=533, id=1479, vol=1.794500e+00 assign (segid " " and resid 792 and name HA) (segid " " and resid 814 and name HA) 2.060 0.530 0.530 weight 1.000 ! spec=c13n...li-5, no=535, id=1481, vol=1.722900e+01 assign (segid " " and resid 814 and name HA) (segid " " and resid 815 and name HA) 2.660 0.885 3.340 weight 1.000 ! spec=c13n...li-5, no=536, id=1482, vol=3.709200e+00 assign (segid " " and resid 814 and name HA) (segid " " and resid 814 and name HB1) 2.116 0.560 3.884 weight 1.000 ! spec=c13n...li-5, no=537, id=1483, vol=1.466220e+01 assign (segid " " and resid 728 and name HA) (segid " " and resid 728 and name HB2) 1.974 0.487 4.026 weight 1.000 ! spec=c13n...li-5, no=539, id=1484, vol=2.224290e+01 assign (segid " " and resid 728 and name HA) (segid " " and resid 728 and name HB1) 2.028 0.514 3.972 weight 1.000 ! spec=c13n...li-5, no=540, id=1485, vol=1.891040e+01 assign (segid " " and resid 814 and name HA) (segid " " and resid 814 and name HG1) 2.339 0.684 3.661 weight 1.000 ! spec=c13n...li-5, no=541, id=1486, vol=8.023400e+00 assign (segid " " and resid 814 and name HA) (segid " " and resid 815 and name HD11) 2.323 0.674 0.674 weight 1.000 ! spec=c13n...li-5, no=542, id=1487, vol=8.377400e+00 assign (segid " " and resid 766 and name HA) (segid " " and resid 756 and name HA) 2.940 1.080 3.060 weight 1.000 ! spec=c13n...li-5, no=550, id=1488, vol=2.038000e+00 assign (segid " " and resid 718 and name HA) (segid " " and resid 719 and name HB) 2.869 1.029 3.131 weight 1.000 ! spec=c13n...li-5, no=552, id=1490, vol=2.357100e+00 assign (segid " " and resid 732 and name HA) (segid " " and resid 732 and name HD2) 2.044 0.522 1.522 weight 1.000 ! spec=c13n...li-5, no=556, id=1493, vol=1.802100e+01 assign (segid " " and resid 771 and name HA) (segid " " and resid 752 and name HB) 2.927 1.071 1.071 weight 1.000 ! spec=c13n...li-5, no=558, id=1495, vol=2.093300e+00 assign (segid " " and resid 771 and name HA) (segid " " and resid 770 and name HB) 2.882 1.038 3.118 weight 1.000 ! spec=c13n...li-5, no=559, id=1496, vol=2.297800e+00 assign (segid " " and resid 771 and name HA) (segid " " and resid 752 and name HG21) 2.018 0.509 0.509 weight 1.000 ! spec=c13n...li-5, no=561, id=1498, vol=1.946880e+01 assign (segid " " and resid 728 and name HA) (segid " " and resid 728 and name HD2) 2.870 1.030 1.030 weight 1.000 ! spec=c13n...li-5, no=562, id=1499, vol=2.354200e+00 assign (segid " " and resid 795 and name HA) (segid " " and resid 795 and name HG) 2.521 0.794 0.794 weight 1.000 ! spec=c13n...li-5, no=564, id=1501, vol=5.123600e+00 assign (segid " " and resid 794 and name HA) (segid " " and resid 793 and name HA) 2.989 1.117 3.011 weight 1.000 ! spec=c13n...li-5, no=565, id=1502, vol=1.845500e+00 assign (segid " " and resid 794 and name HA) (segid " " and resid 795 and name HA) 3.070 1.178 2.930 weight 1.000 ! spec=c13n...li-5, no=566, id=1503, vol=1.570700e+00 assign (segid " " and resid 794 and name HB2) (segid " " and resid 794 and name HA) 2.948 1.086 1.086 weight 1.000 ! spec=c13n...li-5, no=567, id=1504, vol=2.004900e+00 assign (segid " " and resid 794 and name HA) (segid " " and resid 794 and name HB1) 2.699 0.910 0.910 weight 1.000 ! spec=c13n...li-5, no=568, id=1505, vol=3.404900e+00 assign (segid " " and resid 794 and name HA) (segid " " and resid 812 and name HB2) 2.708 0.917 0.917 weight 1.000 ! spec=c13n...li-5, no=569, id=1506, vol=3.333400e+00 assign (segid " " and resid 777 and name HA) (segid " " and resid 744 and name HA) 2.041 0.521 0.521 weight 1.000 ! spec=c13n...li-5, no=571, id=1507, vol=1.819600e+01 assign (segid " " and resid 777 and name HA) (segid " " and resid 777 and name HB2) 1.886 0.444 4.114 weight 1.000 ! spec=c13n...li-5, no=572, id=1508, vol=2.926800e+01 assign (segid " " and resid 777 and name HA) (segid " " and resid 777 and name HB1) 1.966 0.483 4.034 weight 1.000 ! spec=c13n...li-5, no=573, id=1509, vol=2.280080e+01 assign (segid " " and resid 732 and name HA) (segid " " and resid 733 and name HB1) 2.923 1.068 3.077 weight 1.000 ! spec=c13n...li-5, no=576, id=1512, vol=2.107400e+00 assign (segid " " and resid 766 and name HA) (segid " " and resid 765 and name HA) 2.816 0.991 3.184 weight 1.000 ! spec=c13n...li-5, no=577, id=1513, vol=2.639900e+00 assign (segid " " and resid 766 and name HA) (segid " " and resid 766 and name HE2) 2.983 1.112 3.017 weight 1.000 ! spec=c13n...li-5, no=578, id=1514, vol=1.867500e+00 assign (segid " " and resid 766 and name HA) (segid " " and resid 767 and name HB) 2.945 1.084 3.055 weight 1.000 ! spec=c13n...li-5, no=579, id=1515, vol=2.017600e+00 assign (segid " " and resid 725 and name HA) (segid " " and resid 743 and name HB) 2.826 0.998 0.998 weight 1.000 ! spec=c13n...li-5, no=581, id=1517, vol=2.583700e+00 assign (segid " " and resid 725 and name HA) (segid " " and resid 725 and name HB2) 2.212 0.612 0.612 weight 1.000 ! spec=c13n...li-5, no=582, id=1518, vol=1.122490e+01 assign (segid " " and resid 725 and name HA) (segid " " and resid 726 and name HG2) 2.760 0.953 0.953 weight 1.000 ! spec=c13n...li-5, no=583, id=1519, vol=2.972700e+00 assign (segid " " and resid 725 and name HA) (segid " " and resid 725 and name HB1) 2.144 0.575 3.856 weight 1.000 ! spec=c13n...li-5, no=584, id=1520, vol=1.354150e+01 assign (segid " " and resid 725 and name HA) (segid " " and resid 725 and name HD11) 2.519 0.793 1.793 weight 1.000 ! spec=c13n...li-5, no=585, id=1521, vol=5.150400e+00 assign (segid " " and resid 725 and name HA) (segid " " and resid 743 and name HG21) 2.364 0.698 0.698 weight 1.000 ! spec=c13n...li-5, no=586, id=1522, vol=7.541800e+00 assign (segid " " and resid 725 and name HA) (segid " " and resid 725 and name HD21) 2.102 0.552 0.552 weight 1.000 ! spec=c13n...li-5, no=587, id=1523, vol=1.526660e+01 assign (segid " " and resid 717 and name HA) (segid " " and resid 717 and name HD21) 2.238 0.626 0.626 weight 1.000 ! spec=c13n...li-5, no=590, id=1525, vol=1.047390e+01 assign (segid " " and resid 726 and name HA) (segid " " and resid 726 and name HG1) 2.052 0.527 0.527 weight 1.000 ! spec=c13n...li-5, no=593, id=1528, vol=1.760170e+01 assign (segid " " and resid 755 and name HA) (segid " " and resid 795 and name HA) 2.194 0.602 0.602 weight 1.000 ! spec=c13n...li-5, no=594, id=1529, vol=1.179380e+01 assign (segid " " and resid 795 and name HA) (segid " " and resid 755 and name HB1) 2.640 0.871 0.871 weight 1.000 ! spec=c13n...li-5, no=596, id=1531, vol=3.882800e+00 assign (segid " " and resid 795 and name HA) (segid " " and resid 795 and name HB2) 2.390 0.714 0.714 weight 1.000 ! spec=c13n...li-5, no=597, id=1532, vol=7.064800e+00 assign (segid " " and resid 795 and name HA) (segid " " and resid 795 and name HB1) 2.304 0.664 0.664 weight 1.000 ! spec=c13n...li-5, no=598, id=1533, vol=8.783400e+00 assign (segid " " and resid 795 and name HA) (segid " " and resid 795 and name HD21) 2.134 0.569 0.569 weight 1.000 ! spec=c13n...li-5, no=600, id=1534, vol=1.392210e+01 assign (segid " " and resid 794 and name HA) (segid " " and resid 812 and name HA) 2.308 0.666 0.666 weight 1.000 ! spec=c13n...li-5, no=601, id=1535, vol=8.694400e+00 assign (segid " " and resid 794 and name HA) (segid " " and resid 758 and name HG11) 2.867 1.028 3.133 weight 1.000 ! spec=c13n...li-5, no=602, id=1536, vol=2.366700e+00 assign (segid " " and resid 794 and name HA) (segid " " and resid 793 and name HG) 2.770 0.959 3.230 weight 1.000 ! spec=c13n...li-5, no=604, id=1537, vol=2.911300e+00 assign (segid " " and resid 794 and name HA) (segid " " and resid 792 and name HG21) 2.795 0.976 3.205 weight 1.000 ! spec=c13n...li-5, no=605, id=1538, vol=2.759900e+00 assign (segid " " and resid 794 and name HA) (segid " " and resid 795 and name HD21) 3.046 1.160 2.954 weight 1.000 ! spec=c13n...li-5, no=606, id=1539, vol=1.646600e+00 assign (segid " " and resid 794 and name HA) (segid " " and resid 793 and name HD21) 2.974 1.106 3.026 weight 1.000 ! spec=c13n...li-5, no=607, id=1540, vol=1.901200e+00 assign (segid " " and resid 777 and name HA) (segid " " and resid 776 and name HA) 2.661 0.885 3.339 weight 1.000 ! spec=c13n...li-5, no=608, id=1541, vol=3.707500e+00 assign (segid " " and resid 816 and name HA) (segid " " and resid 790 and name HB2) 2.925 1.070 1.070 weight 1.000 ! spec=c13n...li-5, no=611, id=1543, vol=2.099200e+00 assign (segid " " and resid 816 and name HA) (segid " " and resid 816 and name HG2) 2.512 0.789 0.789 weight 1.000 ! spec=c13n...li-5, no=612, id=1544, vol=5.237800e+00 assign (segid " " and resid 816 and name HA) (segid " " and resid 816 and name HB1) 2.076 0.539 0.539 weight 1.000 ! spec=c13n...li-5, no=614, id=1546, vol=1.642400e+01 assign (segid " " and resid 766 and name HA) (segid " " and resid 766 and name HG1) 2.162 0.584 0.584 weight 1.000 ! spec=c13n...li-5, no=616, id=1548, vol=1.286840e+01 assign (segid " " and resid 759 and name HA) (segid " " and resid 791 and name HE2) 3.011 1.134 1.134 weight 1.000 ! spec=c13n...li-5, no=619, id=1549, vol=1.763500e+00 assign (segid " " and resid 759 and name HA) (segid " " and resid 759 and name HG2) 2.684 0.901 0.901 weight 1.000 ! spec=c13n...li-5, no=622, id=1551, vol=3.515900e+00 assign (segid " " and resid 759 and name HA) (segid " " and resid 759 and name HB2) 2.280 0.650 0.650 weight 1.000 ! spec=c13n...li-5, no=623, id=1552, vol=9.365800e+00 assign (segid " " and resid 759 and name HA) (segid " " and resid 759 and name HG1) 2.542 0.808 3.458 weight 1.000 ! spec=c13n...li-5, no=624, id=1553, vol=4.877400e+00 assign (segid " " and resid 759 and name HA) (segid " " and resid 759 and name HB1) 2.374 0.705 0.705 weight 1.000 ! spec=c13n...li-5, no=625, id=1554, vol=7.340200e+00 assign (segid " " and resid 759 and name HA) (segid " " and resid 791 and name HD2) 3.192 1.274 1.274 weight 1.000 ! spec=c13n...li-5, no=626, id=1555, vol=1.243400e+00 assign (segid " " and resid 754 and name HA) (segid " " and resid 769 and name HA) 1.921 0.462 0.462 weight 1.000 ! spec=c13n...li-5, no=627, id=1556, vol=2.613730e+01 assign (segid " " and resid 769 and name HA) (segid " " and resid 769 and name HB1) 2.050 0.525 0.525 weight 1.000 ! spec=c13n...li-5, no=630, id=1559, vol=1.774390e+01 assign (segid " " and resid 769 and name HA) (segid " " and resid 754 and name HG21) 2.097 0.549 3.903 weight 1.000 ! spec=c13n...li-5, no=631, id=1560, vol=1.548430e+01 assign (segid " " and resid 776 and name HA) (segid " " and resid 776 and name HB1) 2.307 0.665 0.665 weight 1.000 ! spec=c13n...li-5, no=632, id=1561, vol=8.726800e+00 assign (segid " " and resid 745 and name HA) (segid " " and resid 745 and name HB2) 2.202 0.606 3.798 weight 1.000 ! spec=c13n...li-5, no=633, id=1562, vol=1.154840e+01 assign (segid " " and resid 745 and name HA) (segid " " and resid 745 and name HD11) 2.533 0.802 3.467 weight 1.000 ! spec=c13n...li-5, no=635, id=1564, vol=4.974300e+00 assign (segid " " and resid 746 and name HA) (segid " " and resid 721 and name HA) 2.870 1.030 3.130 weight 1.000 ! spec=c13n...li-5, no=637, id=1566, vol=2.353600e+00 assign (segid " " and resid 746 and name HA) (segid " " and resid 746 and name HE2) 3.008 1.131 1.131 weight 1.000 ! spec=c13n...li-5, no=641, id=1569, vol=1.774100e+00 assign (segid " " and resid 746 and name HA) (segid " " and resid 746 and name HB1) 2.041 0.521 0.521 weight 1.000 ! spec=c13n...li-5, no=642, id=1570, vol=1.819490e+01 assign (segid " " and resid 765 and name HA) (segid " " and resid 757 and name HA) 3.047 1.160 2.953 weight 1.000 ! spec=c13n...li-5, no=643, id=1571, vol=1.645000e+00 assign (segid " " and resid 758 and name HA) (segid " " and resid 765 and name HA) 1.948 0.474 0.474 weight 1.000 ! spec=c13n...li-5, no=645, id=1572, vol=2.410800e+01 assign (segid " " and resid 765 and name HA) (segid " " and resid 765 and name HB2) 2.015 0.507 3.985 weight 1.000 ! spec=c13n...li-5, no=647, id=1574, vol=1.966520e+01 assign (segid " " and resid 765 and name HA) (segid " " and resid 765 and name HB1) 2.052 0.527 0.527 weight 1.000 ! spec=c13n...li-5, no=648, id=1575, vol=1.760260e+01 assign (segid " " and resid 765 and name HA) (segid " " and resid 758 and name HG12) 2.758 0.951 3.242 weight 1.000 ! spec=c13n...li-5, no=649, id=1576, vol=2.990700e+00 assign (segid " " and resid 765 and name HA) (segid " " and resid 765 and name HG2) 2.398 0.719 0.719 weight 1.000 ! spec=c13n...li-5, no=650, id=1577, vol=6.925800e+00 assign (segid " " and resid 765 and name HA) (segid " " and resid 758 and name HG21) 2.405 0.723 3.595 weight 1.000 ! spec=c13n...li-5, no=651, id=1578, vol=6.791000e+00 assign (segid " " and resid 765 and name HA) (segid " " and resid 758 and name HD11) 2.783 0.968 3.217 weight 1.000 ! spec=c13n...li-5, no=652, id=1579, vol=2.831200e+00 assign (segid " " and resid 754 and name HB) (segid " " and resid 769 and name HA) 2.881 1.038 3.119 weight 1.000 ! spec=c13n...li-5, no=653, id=1580, vol=2.300400e+00 assign (segid " " and resid 729 and name HA) (segid " " and resid 729 and name HD2) 3.004 1.128 1.128 weight 1.000 ! spec=c13n...li-5, no=654, id=1581, vol=1.788800e+00 assign (segid " " and resid 729 and name HA) (segid " " and resid 729 and name HB2) 2.044 0.522 0.522 weight 1.000 ! spec=c13n...li-5, no=656, id=1582, vol=1.803440e+01 assign (segid " " and resid 729 and name HA) (segid " " and resid 729 and name HB1) 1.999 0.500 0.500 weight 1.000 ! spec=c13n...li-5, no=657, id=1583, vol=2.060490e+01 assign (segid " " and resid 738 and name HA) (segid " " and resid 737 and name HA) 2.666 0.888 3.334 weight 1.000 ! spec=c13n...li-5, no=658, id=1584, vol=3.664200e+00 assign (segid " " and resid 745 and name HA) (segid " " and resid 810 and name HE22) 2.649 0.877 3.351 weight 1.000 ! spec=c13n...li-5, no=659, id=1585, vol=3.807500e+00 assign (segid " " and resid 738 and name HA) (segid " " and resid 738 and name HD2) 2.766 0.957 3.234 weight 1.000 ! spec=c13n...li-5, no=660, id=1586, vol=2.934800e+00 assign (segid " " and resid 784 and name HA) (segid " " and resid 738 and name HA) 2.254 0.635 0.635 weight 1.000 ! spec=c13n...li-5, no=663, id=1588, vol=1.003620e+01 assign (segid " " and resid 776 and name HA) (segid " " and resid 776 and name HB2) 2.129 0.567 0.567 weight 1.000 ! spec=c13n...li-5, no=664, id=1589, vol=1.413010e+01 assign (segid " " and resid 738 and name HA) (segid " " and resid 738 and name HB2) 2.067 0.534 0.534 weight 1.000 ! spec=c13n...li-5, no=665, id=1590, vol=1.684410e+01 assign (segid " " and resid 730 and name HA) (segid " " and resid 730 and name HB2) 1.990 0.495 0.495 weight 1.000 ! spec=c13n...li-5, no=667, id=1592, vol=2.116450e+01 assign (segid " " and resid 745 and name HA) (segid " " and resid 746 and name HB2) 2.429 0.738 3.571 weight 1.000 ! spec=c13n...li-5, no=668, id=1593, vol=6.402300e+00 assign (segid " " and resid 745 and name HA) (segid " " and resid 743 and name HG21) 2.727 0.930 0.930 weight 1.000 ! spec=c13n...li-5, no=669, id=1594, vol=3.197500e+00 assign (segid " " and resid 731 and name HA) (segid " " and resid 731 and name HB2) 2.332 0.680 0.680 weight 1.000 ! spec=c13n...li-5, no=670, id=1595, vol=8.172600e+00 assign (segid " " and resid 731 and name HA) (segid " " and resid 731 and name HD21) 2.025 0.513 2.000 weight 1.000 ! spec=c13n...li-5, no=671, id=1596, vol=1.907900e+01 assign (segid " " and resid 808 and name HA) (segid " " and resid 808 and name HD11) 2.698 0.910 3.302 weight 1.000 ! spec=c13n...li-5, no=672, id=1597, vol=3.409900e+00 assign (segid " " and resid 720 and name HA) (segid " " and resid 721 and name HD1) 1.994 0.497 0.497 weight 1.000 ! spec=c13n...li-5, no=676, id=1600, vol=2.092150e+01 assign (segid " " and resid 720 and name HA) (segid " " and resid 721 and name HG1) 2.712 0.919 3.288 weight 1.000 ! spec=c13n...li-5, no=677, id=1601, vol=3.305600e+00 assign (segid " " and resid 720 and name HA) (segid " " and resid 720 and name HB2) 1.918 0.460 0.460 weight 1.000 ! spec=c13n...li-5, no=678, id=1602, vol=2.639550e+01 assign (segid " " and resid 720 and name HA) (segid " " and resid 720 and name HG2) 2.260 0.638 0.638 weight 1.000 ! spec=c13n...li-5, no=679, id=1603, vol=9.881800e+00 assign (segid " " and resid 720 and name HA) (segid " " and resid 720 and name HE2) 3.097 1.199 1.199 weight 1.000 ! spec=c13n...li-5, no=680, id=1604, vol=1.490200e+00 assign (segid " " and resid 793 and name HA) (segid " " and resid 792 and name HG21) 3.126 1.222 1.222 weight 1.000 ! spec=c13n...li-5, no=681, id=1605, vol=1.408900e+00 assign (segid " " and resid 757 and name HA) (segid " " and resid 793 and name HA) 2.205 0.608 0.608 weight 1.000 ! spec=c13n...li-5, no=683, id=1606, vol=1.145170e+01 assign (segid " " and resid 793 and name HA) (segid " " and resid 792 and name HA) 3.107 1.206 2.893 weight 1.000 ! spec=c13n...li-5, no=684, id=1607, vol=1.463200e+00 assign (segid " " and resid 793 and name HA) (segid " " and resid 757 and name HG11) 2.893 1.046 3.107 weight 1.000 ! spec=c13n...li-5, no=685, id=1608, vol=2.242100e+00 assign (segid " " and resid 793 and name HA) (segid " " and resid 793 and name HB2) 2.307 0.665 0.665 weight 1.000 ! spec=c13n...li-5, no=686, id=1609, vol=8.735400e+00 assign (segid " " and resid 793 and name HA) (segid " " and resid 793 and name HG) 2.145 0.575 1.575 weight 1.000 ! spec=c13n...li-5, no=687, id=1610, vol=1.349020e+01 assign (segid " " and resid 793 and name HA) (segid " " and resid 757 and name HG21) 3.053 1.165 1.165 weight 1.000 ! spec=c13n...li-5, no=689, id=1612, vol=1.623900e+00 assign (segid " " and resid 793 and name HA) (segid " " and resid 757 and name HD11) 2.636 0.869 3.364 weight 1.000 ! spec=c13n...li-5, no=690, id=1613, vol=3.918700e+00 assign (segid " " and resid 793 and name HA) (segid " " and resid 815 and name HD11) 2.878 1.035 3.122 weight 1.000 ! spec=c13n...li-5, no=691, id=1614, vol=2.316500e+00 assign (segid " " and resid 793 and name HA) (segid " " and resid 793 and name HD11) 2.557 0.817 3.443 weight 1.000 ! spec=c13n...li-5, no=692, id=1615, vol=4.707600e+00 assign (segid " " and resid 781 and name HA) (segid " " and resid 779 and name HG21) 2.959 1.094 3.041 weight 1.000 ! spec=c13n...li-5, no=695, id=1617, vol=1.961200e+00 assign (segid " " and resid 781 and name HA) (segid " " and resid 780 and name HG21) 3.004 1.128 1.128 weight 1.000 ! spec=c13n...li-5, no=696, id=1618, vol=1.788900e+00 assign (segid " " and resid 808 and name HA) (segid " " and resid 809 and name HA) 2.574 0.828 3.426 weight 1.000 ! spec=c13n...li-5, no=697, id=1619, vol=4.521200e+00 assign (segid " " and resid 748 and name HA) (segid " " and resid 751 and name HB1) 2.912 1.060 3.088 weight 1.000 ! spec=c13n...li-5, no=699, id=1620, vol=2.159100e+00 assign (segid " " and resid 748 and name HA) (segid " " and resid 749 and name HA2) 2.850 1.015 3.150 weight 1.000 ! spec=c13n...li-5, no=700, id=1621, vol=2.456600e+00 assign (segid " " and resid 808 and name HA) (segid " " and resid 808 and name HB2) 2.416 0.729 0.729 weight 1.000 ! spec=c13n...li-5, no=702, id=1622, vol=6.622100e+00 assign (segid " " and resid 808 and name HA) (segid " " and resid 808 and name HB1) 2.228 0.620 0.620 weight 1.000 ! spec=c13n...li-5, no=703, id=1623, vol=1.076070e+01 assign (segid " " and resid 808 and name HA) (segid " " and resid 808 and name HD21) 2.095 0.549 0.549 weight 1.000 ! spec=c13n...li-5, no=704, id=1624, vol=1.555310e+01 assign (segid " " and resid 720 and name HA) (segid " " and resid 721 and name HB2) 3.088 1.192 2.912 weight 1.000 ! spec=c13n...li-5, no=706, id=1626, vol=1.517300e+00 assign (segid " " and resid 727 and name HA) (segid " " and resid 728 and name HA) 2.482 0.770 3.518 weight 1.000 ! spec=c13n...li-5, no=707, id=1627, vol=5.628600e+00 assign (segid " " and resid 727 and name HA) (segid " " and resid 742 and name HD1) 3.041 1.156 1.156 weight 1.000 ! spec=c13n...li-5, no=709, id=1628, vol=1.662400e+00 assign (segid " " and resid 727 and name HA) (segid " " and resid 742 and name HG1) 2.853 1.017 1.017 weight 1.000 ! spec=c13n...li-5, no=710, id=1629, vol=2.439100e+00 assign (segid " " and resid 727 and name HA) (segid " " and resid 727 and name HD11) 2.004 0.502 0.502 weight 1.000 ! spec=c13n...li-5, no=712, id=1631, vol=2.031580e+01 assign (segid " " and resid 781 and name HA) (segid " " and resid 738 and name HD2) 2.852 1.017 1.017 weight 1.000 ! spec=c13n...li-5, no=716, id=1635, vol=2.445700e+00 assign (segid " " and resid 818 and name HA) (segid " " and resid 818 and name HD2) 2.346 0.688 0.688 weight 1.000 ! spec=c13n...li-5, no=717, id=1636, vol=7.894200e+00 assign (segid " " and resid 818 and name HA) (segid " " and resid 818 and name HB2) 2.260 0.639 0.639 weight 1.000 ! spec=c13n...li-5, no=718, id=1637, vol=9.866400e+00 assign (segid " " and resid 745 and name HA) (segid " " and resid 745 and name HG) 2.329 0.678 0.678 weight 1.000 ! spec=c13n...li-5, no=721, id=1640, vol=8.232300e+00 assign (segid " " and resid 745 and name HA) (segid " " and resid 723 and name HB1) 2.399 0.720 3.601 weight 1.000 ! spec=c13n...li-5, no=722, id=1641, vol=6.892900e+00 assign (segid " " and resid 745 and name HA) (segid " " and resid 745 and name HB1) 2.341 0.685 0.685 weight 1.000 ! spec=c13n...li-5, no=724, id=1643, vol=7.990700e+00 assign (segid " " and resid 820 and name HA) (segid " " and resid 819 and name HA) 2.499 0.781 3.501 weight 1.000 ! spec=c13n...li-5, no=726, id=1644, vol=5.394900e+00 assign (segid " " and resid 820 and name HA) (segid " " and resid 820 and name HB1) 2.033 0.517 0.517 weight 1.000 ! spec=c13n...li-5, no=727, id=1645, vol=1.863240e+01 assign (segid " " and resid 820 and name HA) (segid " " and resid 820 and name HB2) 2.077 0.539 0.539 weight 1.000 ! spec=c13n...li-5, no=728, id=1646, vol=1.640720e+01 assign (segid " " and resid 748 and name HA) (segid " " and resid 748 and name HG1) 2.242 0.628 3.758 weight 1.000 ! spec=c13n...li-5, no=729, id=1647, vol=1.035000e+01 assign (segid " " and resid 748 and name HA) (segid " " and resid 748 and name HB1) 1.912 0.457 4.088 weight 1.000 ! spec=c13n...li-5, no=730, id=1648, vol=2.691220e+01 assign (segid " " and resid 799 and name HA) (segid " " and resid 805 and name HB) 2.716 0.922 3.284 weight 1.000 ! spec=c13n...li-5, no=734, id=1651, vol=3.278900e+00 assign (segid " " and resid 799 and name HA) (segid " " and resid 799 and name HB1) 2.218 0.615 0.615 weight 1.000 ! spec=c13n...li-5, no=735, id=1652, vol=1.105120e+01 assign (segid " " and resid 799 and name HA) (segid " " and resid 798 and name HG11) 3.139 1.232 2.861 weight 1.000 ! spec=c13n...li-5, no=736, id=1653, vol=1.374700e+00 assign (segid " " and resid 799 and name HA) (segid " " and resid 799 and name HG2) 2.478 0.768 0.768 weight 1.000 ! spec=c13n...li-5, no=737, id=1654, vol=5.679400e+00 assign (segid " " and resid 799 and name HA) (segid " " and resid 805 and name HG11) 2.673 0.893 2.327 weight 1.000 ! spec=c13n...li-5, no=739, id=1656, vol=3.608100e+00 assign (segid " " and resid 799 and name HA) (segid " " and resid 805 and name HG21) 2.815 0.990 3.185 weight 1.000 ! spec=c13n...li-5, no=740, id=1657, vol=2.645700e+00 assign (segid " " and resid 816 and name HA) (segid " " and resid 790 and name HA) 2.065 0.533 0.533 weight 1.000 ! spec=c13n...li-5, no=742, id=1658, vol=1.694190e+01 assign (segid " " and resid 790 and name HA) (segid " " and resid 816 and name HB1) 2.984 1.113 3.016 weight 1.000 ! spec=c13n...li-5, no=744, id=1660, vol=1.863200e+00 assign (segid " " and resid 790 and name HA) (segid " " and resid 816 and name HG1) 2.944 1.083 1.083 weight 1.000 ! spec=c13n...li-5, no=745, id=1661, vol=2.020100e+00 assign (segid " " and resid 753 and name HA) (segid " " and resid 773 and name HG21) 3.166 1.253 1.253 weight 1.000 ! spec=c13n...li-5, no=746, id=1662, vol=1.305700e+00 assign (segid " " and resid 737 and name HA) (segid " " and resid 737 and name HB2) 2.362 0.697 0.697 weight 1.000 ! spec=c13n...li-5, no=748, id=1663, vol=7.574500e+00 assign (segid " " and resid 737 and name HA) (segid " " and resid 737 and name HB1) 2.087 0.544 3.913 weight 1.000 ! spec=c13n...li-5, no=749, id=1664, vol=1.591500e+01 assign (segid " " and resid 812 and name HA) (segid " " and resid 725 and name HD21) 2.978 1.109 3.022 weight 1.000 ! spec=c13n...li-5, no=750, id=1665, vol=1.885900e+00 assign (segid " " and resid 818 and name HA) (segid " " and resid 818 and name HB1) 2.217 0.614 3.783 weight 1.000 ! spec=c13n...li-5, no=752, id=1667, vol=1.107900e+01 assign (segid " " and resid 753 and name HA) (segid " " and resid 753 and name HB2) 2.414 0.728 0.728 weight 1.000 ! spec=c13n...li-5, no=756, id=1671, vol=6.650800e+00 assign (segid " " and resid 753 and name HA) (segid " " and resid 753 and name HB1) 2.353 0.692 0.692 weight 1.000 ! spec=c13n...li-5, no=757, id=1672, vol=7.746500e+00 assign (segid " " and resid 753 and name HA) (segid " " and resid 753 and name HD11) 2.275 0.647 0.647 weight 1.000 ! spec=c13n...li-5, no=758, id=1673, vol=9.496800e+00 assign (segid " " and resid 753 and name HA) (segid " " and resid 798 and name HD11) 2.374 0.704 0.704 weight 1.000 ! spec=c13n...li-5, no=759, id=1674, vol=7.353700e+00 assign (segid " " and resid 812 and name HA) (segid " " and resid 812 and name HB2) 2.141 0.573 0.573 weight 1.000 ! spec=c13n...li-5, no=761, id=1676, vol=1.367040e+01 assign (segid " " and resid 812 and name HA) (segid " " and resid 812 and name HB1) 2.475 0.766 0.766 weight 1.000 ! spec=c13n...li-5, no=762, id=1677, vol=5.724300e+00 assign (segid " " and resid 812 and name HA) (segid " " and resid 813 and name HB1) 3.154 1.244 2.846 weight 1.000 ! spec=c13n...li-5, no=763, id=1678, vol=1.335300e+00 assign (segid " " and resid 812 and name HA) (segid " " and resid 725 and name HD11) 2.487 0.773 3.513 weight 1.000 ! spec=c13n...li-5, no=764, id=1679, vol=5.562500e+00 assign (segid " " and resid 810 and name HA) (segid " " and resid 811 and name HD2) 2.220 0.616 0.616 weight 1.000 ! spec=c13n...li-5, no=767, id=1681, vol=1.099620e+01 assign (segid " " and resid 733 and name HA) (segid " " and resid 734 and name HB1) 2.451 0.751 3.549 weight 1.000 ! spec=c13n...li-5, no=768, id=1682, vol=6.074300e+00 assign (segid " " and resid 756 and name HA) (segid " " and resid 757 and name HA) 2.991 1.118 3.009 weight 1.000 ! spec=c13n...li-5, no=772, id=1684, vol=1.836500e+00 assign (segid " " and resid 767 and name HA) (segid " " and resid 756 and name HA) 1.856 0.431 0.431 weight 1.000 ! spec=c13n...li-5, no=775, id=1686, vol=3.216590e+01 assign (segid " " and resid 756 and name HA) (segid " " and resid 767 and name HB) 2.875 1.033 3.125 weight 1.000 ! spec=c13n...li-5, no=776, id=1687, vol=2.327900e+00 assign (segid " " and resid 756 and name HA) (segid " " and resid 756 and name HB2) 2.590 0.839 0.839 weight 1.000 ! spec=c13n...li-5, no=777, id=1688, vol=4.354400e+00 assign (segid " " and resid 756 and name HA) (segid " " and resid 756 and name HB1) 2.333 0.680 0.680 weight 1.000 ! spec=c13n...li-5, no=778, id=1689, vol=8.157300e+00 assign (segid " " and resid 756 and name HA) (segid " " and resid 757 and name HB) 3.057 1.168 2.943 weight 1.000 ! spec=c13n...li-5, no=779, id=1690, vol=1.612600e+00 assign (segid " " and resid 756 and name HA) (segid " " and resid 767 and name HG21) 2.285 0.653 3.715 weight 1.000 ! spec=c13n...li-5, no=780, id=1691, vol=9.241800e+00 assign (segid " " and resid 756 and name HA) (segid " " and resid 757 and name HD11) 2.830 1.001 3.170 weight 1.000 ! spec=c13n...li-5, no=782, id=1693, vol=2.562300e+00 assign (segid " " and resid 756 and name HA) (segid " " and resid 755 and name HD1) 3.151 1.241 1.241 weight 1.000 ! spec=c13n...li-5, no=783, id=1694, vol=1.344800e+00 assign (segid " " and resid 751 and name HA) (segid " " and resid 800 and name HA) 2.129 0.566 3.871 weight 1.000 ! spec=c13n...li-5, no=784, id=1695, vol=1.414300e+01 assign (segid " " and resid 800 and name HA) (segid " " and resid 800 and name HB2) 2.369 0.701 0.701 weight 1.000 ! spec=c13n...li-5, no=786, id=1696, vol=7.450400e+00 assign (segid " " and resid 800 and name HA) (segid " " and resid 800 and name HB1) 2.201 0.605 0.605 weight 1.000 ! spec=c13n...li-5, no=787, id=1697, vol=1.157780e+01 assign (segid " " and resid 800 and name HA) (segid " " and resid 751 and name HE1) 2.956 1.092 3.044 weight 1.000 ! spec=c13n...li-5, no=788, id=1698, vol=1.973400e+00 assign (segid " " and resid 742 and name HD2) (segid " " and resid 741 and name HG21) 2.995 1.121 3.005 weight 1.000 ! spec=c13n...li-5, no=789, id=1699, vol=1.823300e+00 assign (segid " " and resid 742 and name HD1) (segid " " and resid 742 and name HA) 3.030 1.147 1.147 weight 1.000 ! spec=c13n...li-5, no=790, id=1700, vol=1.701300e+00 assign (segid " " and resid 742 and name HD2) (segid " " and resid 742 and name HG1) 2.825 0.998 0.998 weight 1.000 ! spec=c13n...li-5, no=792, id=1702, vol=2.588100e+00 assign (segid " " and resid 742 and name HD2) (segid " " and resid 741 and name HG11) 2.821 0.995 3.179 weight 1.000 ! spec=c13n...li-5, no=797, id=1706, vol=2.611600e+00 assign (segid " " and resid 742 and name HD2) (segid " " and resid 742 and name HD1) 2.083 0.542 0.542 weight 1.000 ! spec=c13n...li-5, no=798, id=1707, vol=1.609650e+01 assign (segid " " and resid 741 and name HA) (segid " " and resid 742 and name HD1) 2.103 0.553 0.553 weight 1.000 ! spec=c13n...li-5, no=799, id=1708, vol=1.518500e+01 assign (segid " " and resid 742 and name HD1) (segid " " and resid 727 and name HB2) 2.688 0.903 0.903 weight 1.000 ! spec=c13n...li-5, no=803, id=1711, vol=3.485400e+00 assign (segid " " and resid 742 and name HD1) (segid " " and resid 741 and name HG11) 2.596 0.843 3.404 weight 1.000 ! spec=c13n...li-5, no=805, id=1713, vol=4.293300e+00 assign (segid " " and resid 742 and name HD1) (segid " " and resid 741 and name HG21) 2.882 1.038 3.118 weight 1.000 ! spec=c13n...li-5, no=806, id=1714, vol=2.294200e+00 assign (segid " " and resid 745 and name HA) (segid " " and resid 723 and name HA) 1.978 0.489 0.489 weight 1.000 ! spec=c13n...li-5, no=808, id=1715, vol=2.194990e+01 assign (segid " " and resid 723 and name HA) (segid " " and resid 746 and name HB1) 3.122 1.219 1.219 weight 1.000 ! spec=c13n...li-5, no=809, id=1716, vol=1.419200e+00 assign (segid " " and resid 723 and name HA) (segid " " and resid 745 and name HG) 2.630 0.865 3.370 weight 1.000 ! spec=c13n...li-5, no=810, id=1717, vol=3.971100e+00 assign (segid " " and resid 723 and name HA) (segid " " and resid 723 and name HB1) 1.913 0.457 4.087 weight 1.000 ! spec=c13n...li-5, no=811, id=1718, vol=2.684300e+01 assign (segid " " and resid 723 and name HA) (segid " " and resid 753 and name HD21) 2.514 0.790 3.486 weight 1.000 ! spec=c13n...li-5, no=812, id=1719, vol=5.204500e+00 assign (segid " " and resid 723 and name HA) (segid " " and resid 745 and name HD21) 2.505 0.784 0.784 weight 1.000 ! spec=c13n...li-5, no=814, id=1720, vol=5.325700e+00 assign (segid " " and resid 723 and name HA) (segid " " and resid 745 and name HB1) 2.991 1.118 1.118 weight 1.000 ! spec=c13n...li-5, no=815, id=1721, vol=1.839000e+00 assign (segid " " and resid 744 and name HA) (segid " " and resid 777 and name HB2) 2.668 0.889 1.932 weight 1.000 ! spec=c13n...li-5, no=818, id=1723, vol=3.650800e+00 assign (segid " " and resid 744 and name HA) (segid " " and resid 726 and name HD1) 2.810 0.987 0.987 weight 1.000 ! spec=c13n...li-5, no=819, id=1724, vol=2.670800e+00 assign (segid " " and resid 744 and name HA) (segid " " and resid 744 and name HB1) 1.820 0.414 0.414 weight 1.000 ! spec=c13n...li-5, no=821, id=1726, vol=3.624020e+01 assign (segid " " and resid 744 and name HA) (segid " " and resid 726 and name HE2) 2.791 0.973 3.209 weight 1.000 ! spec=c13n...li-5, no=822, id=1727, vol=2.784800e+00 assign (segid " " and resid 744 and name HA) (segid " " and resid 777 and name HB1) 2.773 0.961 3.227 weight 1.000 ! spec=c13n...li-5, no=823, id=1728, vol=2.893900e+00 assign (segid " " and resid 750 and name HA) (segid " " and resid 750 and name HD2) 2.805 0.983 0.983 weight 1.000 ! spec=c13n...li-5, no=824, id=1729, vol=2.701300e+00 assign (segid " " and resid 750 and name HD2) (segid " " and resid 750 and name HB2) 2.623 0.860 3.377 weight 1.000 ! spec=c13n...li-5, no=826, id=1731, vol=4.038300e+00 assign (segid " " and resid 750 and name HD2) (segid " " and resid 750 and name HG1) 2.375 0.705 0.705 weight 1.000 ! spec=c13n...li-5, no=827, id=1732, vol=7.337000e+00 assign (segid " " and resid 750 and name HD2) (segid " " and resid 750 and name HG2) 2.255 0.635 0.635 weight 1.000 ! spec=c13n...li-5, no=828, id=1733, vol=1.001350e+01 assign (segid " " and resid 750 and name HA) (segid " " and resid 750 and name HD1) 2.975 1.107 1.107 weight 1.000 ! spec=c13n...li-5, no=829, id=1734, vol=1.896100e+00 assign (segid " " and resid 750 and name HD2) (segid " " and resid 750 and name HD1) 1.884 0.444 0.444 weight 1.000 ! spec=c13n...li-5, no=830, id=1735, vol=2.941840e+01 assign (segid " " and resid 750 and name HD1) (segid " " and resid 750 and name HB2) 2.614 0.854 3.386 weight 1.000 ! spec=c13n...li-5, no=831, id=1736, vol=4.118300e+00 assign (segid " " and resid 750 and name HD1) (segid " " and resid 750 and name HG1) 2.386 0.712 0.712 weight 1.000 ! spec=c13n...li-5, no=832, id=1737, vol=7.128500e+00 assign (segid " " and resid 750 and name HD1) (segid " " and resid 750 and name HG2) 2.254 0.635 3.746 weight 1.000 ! spec=c13n...li-5, no=833, id=1738, vol=1.003350e+01 assign (segid " " and resid 723 and name HA) (segid " " and resid 746 and name HB2) 3.111 1.210 1.210 weight 1.000 ! spec=c13n...li-5, no=834, id=1739, vol=1.451000e+00 assign (segid " " and resid 813 and name HA) (segid " " and resid 727 and name HB2) 3.018 1.138 1.138 weight 1.000 ! spec=c13n...li-5, no=835, id=1740, vol=1.741500e+00 assign (segid " " and resid 813 and name HA) (segid " " and resid 793 and name HB2) 3.098 1.200 2.902 weight 1.000 ! spec=c13n...li-5, no=839, id=1741, vol=1.487500e+00 assign (segid " " and resid 813 and name HA) (segid " " and resid 813 and name HB1) 1.943 0.472 4.057 weight 1.000 ! spec=c13n...li-5, no=840, id=1742, vol=2.441230e+01 assign (segid " " and resid 813 and name HA) (segid " " and resid 792 and name HG21) 2.671 0.892 3.329 weight 1.000 ! spec=c13n...li-5, no=841, id=1743, vol=3.620600e+00 assign (segid " " and resid 721 and name HD2) (segid " " and resid 721 and name HD1) 2.213 0.612 0.612 weight 1.000 ! spec=c13n...li-5, no=842, id=1744, vol=1.118340e+01 assign (segid " " and resid 721 and name HD2) (segid " " and resid 720 and name HB2) 2.607 0.849 1.849 weight 1.000 ! spec=c13n...li-5, no=843, id=1745, vol=4.192200e+00 assign (segid " " and resid 811 and name HD2) (segid " " and resid 810 and name HB2) 2.789 0.973 0.973 weight 1.000 ! spec=c13n...li-5, no=847, id=1748, vol=2.792000e+00 assign (segid " " and resid 811 and name HD2) (segid " " and resid 810 and name HG1) 3.100 1.201 1.201 weight 1.000 ! spec=c13n...li-5, no=848, id=1749, vol=1.482600e+00 assign (segid " " and resid 811 and name HD1) (segid " " and resid 810 and name HA) 2.385 0.711 0.711 weight 1.000 ! spec=c13n...li-5, no=850, id=1751, vol=7.153400e+00 assign (segid " " and resid 811 and name HD1) (segid " " and resid 810 and name HB2) 2.549 0.812 0.812 weight 1.000 ! spec=c13n...li-5, no=852, id=1752, vol=4.795000e+00 assign (segid " " and resid 811 and name HD1) (segid " " and resid 811 and name HG1) 2.894 1.047 1.047 weight 1.000 ! spec=c13n...li-5, no=853, id=1753, vol=2.237800e+00 assign (segid " " and resid 811 and name HD1) (segid " " and resid 810 and name HG1) 2.980 1.110 1.110 weight 1.000 ! spec=c13n...li-5, no=855, id=1755, vol=1.877900e+00 assign (segid " " and resid 811 and name HD2) (segid " " and resid 811 and name HG2) 2.803 0.982 0.982 weight 1.000 ! spec=c13n...li-5, no=856, id=1756, vol=2.714000e+00 assign (segid " " and resid 721 and name HD2) (segid " " and resid 806 and name HG11) 2.997 1.123 1.123 weight 1.000 ! spec=c13n...li-5, no=858, id=1758, vol=1.815900e+00 assign (segid " " and resid 721 and name HD2) (segid " " and resid 721 and name HG1) 2.706 0.915 0.915 weight 1.000 ! spec=c13n...li-5, no=862, id=1761, vol=3.351300e+00 assign (segid " " and resid 721 and name HD2) (segid " " and resid 721 and name HG2) 2.798 0.979 0.979 weight 1.000 ! spec=c13n...li-5, no=863, id=1762, vol=2.740300e+00 assign (segid " " and resid 721 and name HD2) (segid " " and resid 721 and name HB2) 2.943 1.082 1.082 weight 1.000 ! spec=c13n...li-5, no=864, id=1763, vol=2.026100e+00 assign (segid " " and resid 721 and name HD1) (segid " " and resid 721 and name HB2) 3.193 1.274 1.274 weight 1.000 ! spec=c13n...li-5, no=866, id=1765, vol=1.241000e+00 assign (segid " " and resid 721 and name HD1) (segid " " and resid 721 and name HG1) 2.797 0.978 0.978 weight 1.000 ! spec=c13n...li-5, no=867, id=1766, vol=2.745400e+00 assign (segid " " and resid 721 and name HD1) (segid " " and resid 721 and name HG2) 2.587 0.837 0.837 weight 1.000 ! spec=c13n...li-5, no=868, id=1767, vol=4.383700e+00 assign (segid " " and resid 721 and name HD1) (segid " " and resid 720 and name HB2) 2.324 0.675 3.676 weight 1.000 ! spec=c13n...li-5, no=869, id=1768, vol=8.348100e+00 assign (segid " " and resid 721 and name HD1) (segid " " and resid 798 and name HB) 2.955 1.092 3.045 weight 1.000 ! spec=c13n...li-5, no=870, id=1769, vol=1.975100e+00 assign (segid " " and resid 721 and name HD1) (segid " " and resid 720 and name HG2) 3.142 1.234 2.458 weight 1.000 ! spec=c13n...li-5, no=871, id=1770, vol=1.367100e+00 assign (segid " " and resid 721 and name HD1) (segid " " and resid 806 and name HG11) 2.495 0.778 0.778 weight 1.000 ! spec=c13n...li-5, no=872, id=1771, vol=5.450800e+00 assign (segid " " and resid 782 and name HB) (segid " " and resid 783 and name HD2) 2.484 0.771 0.771 weight 1.000 ! spec=c13n...li-5, no=873, id=1772, vol=5.597000e+00 assign (segid " " and resid 783 and name HD2) (segid " " and resid 783 and name HB1) 3.104 1.204 1.204 weight 1.000 ! spec=c13n...li-5, no=875, id=1774, vol=1.470700e+00 assign (segid " " and resid 783 and name HD2) (segid " " and resid 782 and name HG21) 2.873 1.032 3.127 weight 1.000 ! spec=c13n...li-5, no=876, id=1775, vol=2.340800e+00 assign (segid " " and resid 783 and name HD2) (segid " " and resid 757 and name HD11) 2.700 0.911 3.300 weight 1.000 ! spec=c13n...li-5, no=879, id=1778, vol=3.393200e+00 assign (segid " " and resid 782 and name HB) (segid " " and resid 783 and name HD1) 2.311 0.668 0.668 weight 1.000 ! spec=c13n...li-5, no=880, id=1779, vol=8.627700e+00 assign (segid " " and resid 783 and name HD2) (segid " " and resid 783 and name HD1) 2.264 0.641 0.641 weight 1.000 ! spec=c13n...li-5, no=882, id=1781, vol=9.772700e+00 assign (segid " " and resid 783 and name HD1) (segid " " and resid 783 and name HB2) 3.018 1.138 1.138 weight 1.000 ! spec=c13n...li-5, no=884, id=1782, vol=1.741100e+00 assign (segid " " and resid 783 and name HD1) (segid " " and resid 783 and name HG2) 2.874 1.032 1.032 weight 1.000 ! spec=c13n...li-5, no=885, id=1783, vol=2.335100e+00 assign (segid " " and resid 783 and name HD1) (segid " " and resid 782 and name HG21) 2.637 0.869 3.363 weight 1.000 ! spec=c13n...li-5, no=887, id=1785, vol=3.908400e+00 assign (segid " " and resid 783 and name HD1) (segid " " and resid 757 and name HD11) 2.544 0.809 3.456 weight 1.000 ! spec=c13n...li-5, no=888, id=1786, vol=4.849600e+00 assign (segid " " and resid 753 and name HB2) (segid " " and resid 753 and name HG) 2.540 0.806 0.806 weight 1.000 ! spec=c13n...li-5, no=893, id=1789, vol=4.903800e+00 assign (segid " " and resid 753 and name HB2) (segid " " and resid 753 and name HB1) 2.230 0.622 0.622 weight 1.000 ! spec=c13n...li-5, no=894, id=1790, vol=1.068480e+01 assign (segid " " and resid 753 and name HB2) (segid " " and resid 773 and name HG21) 2.776 0.963 0.963 weight 1.000 ! spec=c13n...li-5, no=896, id=1792, vol=2.877100e+00 assign (segid " " and resid 753 and name HB1) (segid " " and resid 753 and name HD11) 2.889 1.043 1.043 weight 1.000 ! spec=c13n...li-5, no=898, id=1794, vol=2.264600e+00 assign (segid " " and resid 753 and name HB1) (segid " " and resid 770 and name HB) 3.110 1.209 1.209 weight 1.000 ! spec=c13n...li-5, no=900, id=1796, vol=1.453400e+00 assign (segid " " and resid 753 and name HB1) (segid " " and resid 798 and name HD11) 2.531 0.801 0.801 weight 1.000 ! spec=c13n...li-5, no=903, id=1798, vol=5.002100e+00 assign (segid " " and resid 733 and name HB2) (segid " " and resid 733 and name HA) 2.456 0.754 0.754 weight 1.000 ! spec=c13n...li-5, no=905, id=1800, vol=5.993900e+00 assign (segid " " and resid 733 and name HB1) (segid " " and resid 737 and name HB2) 2.988 1.116 1.116 weight 1.000 ! spec=c13n...li-5, no=910, id=1805, vol=1.848900e+00 assign (segid " " and resid 733 and name HB2) (segid " " and resid 733 and name HB1) 2.024 0.512 0.512 weight 1.000 ! spec=c13n...li-5, no=913, id=1807, vol=1.914750e+01 assign (segid " " and resid 733 and name HB2) (segid " " and resid 817 and name HG21) 3.021 1.141 1.141 weight 1.000 ! spec=c13n...li-5, no=916, id=1810, vol=1.730800e+00 assign (segid " " and resid 733 and name HB1) (segid " " and resid 733 and name HD21) 2.747 0.944 0.944 weight 1.000 ! spec=c13n...li-5, no=918, id=1812, vol=3.058400e+00 assign (segid " " and resid 733 and name HA) (segid " " and resid 733 and name HB1) 2.627 0.863 0.863 weight 1.000 ! spec=c13n...li-5, no=919, id=1813, vol=4.002500e+00 assign (segid " " and resid 803 and name HA2) (segid " " and resid 803 and name HA1) 1.823 0.415 0.415 weight 1.000 ! spec=c13n...li-5, no=926, id=1817, vol=3.582200e+01 assign (segid " " and resid 803 and name HA2) (segid " " and resid 799 and name HE1) 2.763 0.954 0.954 weight 1.000 ! spec=c13n...li-5, no=927, id=1818, vol=2.959100e+00 assign (segid " " and resid 803 and name HA2) (segid " " and resid 799 and name HG1) 2.899 1.051 1.051 weight 1.000 ! spec=c13n...li-5, no=929, id=1820, vol=2.213700e+00 assign (segid " " and resid 736 and name HA2) (segid " " and resid 735 and name HB2) 2.603 0.847 3.397 weight 1.000 ! spec=c13n...li-5, no=930, id=1821, vol=4.232900e+00 assign (segid " " and resid 736 and name HA2) (segid " " and resid 736 and name HA1) 1.894 0.449 0.449 weight 1.000 ! spec=c13n...li-5, no=932, id=1823, vol=2.845640e+01 assign (segid " " and resid 736 and name HA2) (segid " " and resid 735 and name HD21) 2.646 0.875 3.354 weight 1.000 ! spec=c13n...li-5, no=933, id=1824, vol=3.830000e+00 assign (segid " " and resid 807 and name HA2) (segid " " and resid 807 and name HA1) 1.888 0.446 0.446 weight 1.000 ! spec=c13n...li-5, no=937, id=1827, vol=2.905520e+01 assign (segid " " and resid 807 and name HA2) (segid " " and resid 808 and name HG) 2.913 1.061 3.087 weight 1.000 ! spec=c13n...li-5, no=938, id=1828, vol=2.153500e+00 assign (segid " " and resid 788 and name HA2) (segid " " and resid 788 and name HA1) 2.062 0.531 0.531 weight 1.000 ! spec=c13n...li-5, no=940, id=1829, vol=1.713180e+01 assign (segid " " and resid 788 and name HA1) (segid " " and resid 817 and name HG11) 2.800 0.980 0.980 weight 1.000 ! spec=c13n...li-5, no=944, id=1832, vol=2.727800e+00 assign (segid " " and resid 803 and name HA1) (segid " " and resid 799 and name HD1) 2.682 0.899 0.899 weight 1.000 ! spec=c13n...li-5, no=949, id=1836, vol=3.537400e+00 assign (segid " " and resid 736 and name HA1) (segid " " and resid 735 and name HD21) 2.532 0.801 3.000 weight 1.000 ! spec=c13n...li-5, no=952, id=1838, vol=4.993900e+00 assign (segid " " and resid 736 and name HA1) (segid " " and resid 786 and name HG21) 2.843 1.010 1.010 weight 1.000 ! spec=c13n...li-5, no=953, id=1839, vol=2.491600e+00 assign (segid " " and resid 756 and name HB2) (segid " " and resid 758 and name HG12) 3.040 1.155 2.960 weight 1.000 ! spec=c13n...li-5, no=954, id=1840, vol=1.666600e+00 assign (segid " " and resid 756 and name HB2) (segid " " and resid 756 and name HB1) 2.333 0.680 0.680 weight 1.000 ! spec=c13n...li-5, no=957, id=1842, vol=8.161100e+00 assign (segid " " and resid 756 and name HB2) (segid " " and resid 796 and name HG21) 2.727 0.930 0.930 weight 1.000 ! spec=c13n...li-5, no=958, id=1843, vol=3.198500e+00 assign (segid " " and resid 756 and name HB1) (segid " " and resid 758 and name HG12) 2.793 0.975 3.207 weight 1.000 ! spec=c13n...li-5, no=960, id=1845, vol=2.770100e+00 assign (segid " " and resid 793 and name HB1) (segid " " and resid 793 and name HD11) 2.589 0.838 0.838 weight 1.000 ! spec=c13n...li-5, no=965, id=1848, vol=4.362800e+00 assign (segid " " and resid 788 and name HA2) (segid " " and resid 817 and name HG11) 2.564 0.822 2.736 weight 1.000 ! spec=c13n...li-5, no=967, id=1850, vol=4.626100e+00 assign (segid " " and resid 756 and name HB1) (segid " " and resid 765 and name HD1) 2.919 1.065 1.065 weight 1.000 ! spec=c13n...li-5, no=973, id=1855, vol=2.124500e+00 assign (segid " " and resid 756 and name HB1) (segid " " and resid 796 and name HG21) 2.567 0.823 3.433 weight 1.000 ! spec=c13n...li-5, no=975, id=1856, vol=4.602500e+00 assign (segid " " and resid 793 and name HB2) (segid " " and resid 793 and name HG) 2.340 0.684 0.684 weight 1.000 ! spec=c13n...li-5, no=977, id=1858, vol=8.015800e+00 assign (segid " " and resid 793 and name HB2) (segid " " and resid 741 and name HG11) 2.675 0.895 3.325 weight 1.000 ! spec=c13n...li-5, no=979, id=1860, vol=3.588000e+00 assign (segid " " and resid 793 and name HA) (segid " " and resid 793 and name HB1) 2.441 0.745 0.745 weight 1.000 ! spec=c13n...li-5, no=980, id=1861, vol=6.212600e+00 assign (segid " " and resid 793 and name HB2) (segid " " and resid 793 and name HB1) 2.114 0.558 0.558 weight 1.000 ! spec=c13n...li-5, no=981, id=1862, vol=1.475680e+01 assign (segid " " and resid 793 and name HB1) (segid " " and resid 793 and name HG) 2.432 0.739 0.739 weight 1.000 ! spec=c13n...li-5, no=982, id=1863, vol=6.355400e+00 assign (segid " " and resid 727 and name HB1) (segid " " and resid 726 and name HB2) 2.495 0.778 3.505 weight 1.000 ! spec=c13n...li-5, no=985, id=1865, vol=5.451000e+00 assign (segid " " and resid 808 and name HB2) (segid " " and resid 808 and name HG) 2.605 0.848 0.848 weight 1.000 ! spec=c13n...li-5, no=990, id=1869, vol=4.212400e+00 assign (segid " " and resid 808 and name HB1) (segid " " and resid 808 and name HG) 2.714 0.921 0.921 weight 1.000 ! spec=c13n...li-5, no=994, id=1873, vol=3.293000e+00 assign (segid " " and resid 808 and name HB2) (segid " " and resid 808 and name HB1) 2.278 0.649 0.649 weight 1.000 ! spec=c13n...li-5, no=995, id=1874, vol=9.418300e+00 assign (segid " " and resid 789 and name HA2) (segid " " and resid 761 and name HE1) 3.167 1.254 1.254 weight 1.000 ! spec=c13n...li-5, no=999, id=1877, vol=1.302500e+00 assign (segid " " and resid 789 and name HA2) (segid " " and resid 789 and name HA1) 1.886 0.444 0.444 weight 1.000 ! spec=c13n...li-5, no=1001, id=1878, vol=2.926620e+01 assign (segid " " and resid 727 and name HB2) (segid " " and resid 728 and name HA) 2.894 1.047 3.106 weight 1.000 ! spec=c13n...li-5, no=1004, id=1880, vol=2.238300e+00 assign (segid " " and resid 808 and name HB1) (segid " " and resid 795 and name HB2) 3.072 1.179 1.179 weight 1.000 ! spec=c13n...li-5, no=1006, id=1882, vol=1.566000e+00 assign (segid " " and resid 751 and name HB2) (segid " " and resid 751 and name HB1) 2.799 0.979 0.979 weight 1.000 ! spec=c13n...li-5, no=1007, id=1883, vol=2.736300e+00 assign (segid " " and resid 749 and name HA1) (segid " " and resid 748 and name HB1) 3.010 1.132 2.990 weight 1.000 ! spec=c13n...li-5, no=1010, id=1886, vol=1.768800e+00 assign (segid " " and resid 751 and name HB1) (segid " " and resid 773 and name HG21) 3.112 1.211 1.211 weight 1.000 ! spec=c13n...li-5, no=1011, id=1887, vol=1.447700e+00 assign (segid " " and resid 751 and name HB1) (segid " " and resid 773 and name HB) 2.602 0.846 3.398 weight 1.000 ! spec=c13n...li-5, no=1013, id=1889, vol=4.236400e+00 assign (segid " " and resid 751 and name HB1) (segid " " and resid 753 and name HB1) 3.049 1.162 1.162 weight 1.000 ! spec=c13n...li-5, no=1014, id=1890, vol=1.636200e+00 assign (segid " " and resid 750 and name HA) (segid " " and resid 749 and name HA2) 2.162 0.584 3.838 weight 1.000 ! spec=c13n...li-5, no=1015, id=1891, vol=1.286750e+01 assign (segid " " and resid 749 and name HA1) (segid " " and resid 749 and name HA2) 1.932 0.467 0.467 weight 1.000 ! spec=c13n...li-5, no=1016, id=1892, vol=2.527170e+01 assign (segid " " and resid 749 and name HA2) (segid " " and resid 748 and name HB1) 2.937 1.078 3.063 weight 1.000 ! spec=c13n...li-5, no=1018, id=1893, vol=2.049400e+00 assign (segid " " and resid 747 and name HA2) (segid " " and resid 751 and name HE1) 2.878 1.035 1.035 weight 1.000 ! spec=c13n...li-5, no=1019, id=1894, vol=2.315400e+00 assign (segid " " and resid 747 and name HA2) (segid " " and resid 747 and name HA1) 1.909 0.455 0.455 weight 1.000 ! spec=c13n...li-5, no=1022, id=1896, vol=2.719520e+01 assign (segid " " and resid 747 and name HA2) (segid " " and resid 721 and name HB2) 2.754 0.948 0.948 weight 1.000 ! spec=c13n...li-5, no=1023, id=1897, vol=3.015800e+00 assign (segid " " and resid 747 and name HA2) (segid " " and resid 721 and name HB1) 2.842 1.009 1.009 weight 1.000 ! spec=c13n...li-5, no=1024, id=1898, vol=2.498200e+00 assign (segid " " and resid 747 and name HA2) (segid " " and resid 719 and name HG11) 3.044 1.158 2.956 weight 1.000 ! spec=c13n...li-5, no=1025, id=1899, vol=1.654300e+00 assign (segid " " and resid 747 and name HA1) (segid " " and resid 721 and name HB1) 2.925 1.069 3.075 weight 1.000 ! spec=c13n...li-5, no=1026, id=1900, vol=2.102300e+00 assign (segid " " and resid 747 and name HA1) (segid " " and resid 719 and name HG11) 2.826 0.998 0.998 weight 1.000 ! spec=c13n...li-5, no=1027, id=1901, vol=2.584500e+00 assign (segid " " and resid 747 and name HA1) (segid " " and resid 751 and name HE1) 2.852 1.016 1.016 weight 1.000 ! spec=c13n...li-5, no=1028, id=1902, vol=2.446100e+00 assign (segid " " and resid 718 and name HD2) (segid " " and resid 718 and name HB2) 1.896 0.449 2.304 weight 1.000 ! spec=c13n...li-5, no=1037, id=1907, vol=2.830500e+01 assign (segid " " and resid 819 and name HD1) (segid " " and resid 735 and name HD11) 2.803 0.982 0.982 weight 1.000 ! spec=c13n...li-5, no=1040, id=1910, vol=2.713200e+00 assign (segid " " and resid 819 and name HD1) (segid " " and resid 735 and name HD21) 2.931 1.074 1.074 weight 1.000 ! spec=c13n...li-5, no=1041, id=1911, vol=2.076400e+00 assign (segid " " and resid 765 and name HD2) (segid " " and resid 758 and name HD11) 2.890 1.044 3.110 weight 1.000 ! spec=c13n...li-5, no=1048, id=1917, vol=2.258500e+00 assign (segid " " and resid 751 and name HB2) (segid " " and resid 798 and name HD11) 2.707 0.916 0.916 weight 1.000 ! spec=c13n...li-5, no=1051, id=1920, vol=3.343800e+00 assign (segid " " and resid 749 and name HA1) (segid " " and resid 750 and name HG2) 2.909 1.058 1.058 weight 1.000 ! spec=c13n...li-5, no=1052, id=1921, vol=2.170000e+00 assign (segid " " and resid 749 and name HA2) (segid " " and resid 750 and name HG2) 2.983 1.112 3.017 weight 1.000 ! spec=c13n...li-5, no=1054, id=1922, vol=1.868300e+00 assign (segid " " and resid 731 and name HB2) (segid " " and resid 815 and name HG11) 2.700 0.912 1.912 weight 1.000 ! spec=c13n...li-5, no=1059, id=1926, vol=3.391600e+00 assign (segid " " and resid 731 and name HB2) (segid " " and resid 731 and name HB1) 2.084 0.543 0.543 weight 1.000 ! spec=c13n...li-5, no=1060, id=1927, vol=1.606910e+01 assign (segid " " and resid 731 and name HB1) (segid " " and resid 815 and name HB) 2.756 0.949 3.244 weight 1.000 ! spec=c13n...li-5, no=1063, id=1930, vol=3.005000e+00 assign (segid " " and resid 731 and name HA) (segid " " and resid 731 and name HB1) 2.404 0.722 0.722 weight 1.000 ! spec=c13n...li-5, no=1064, id=1931, vol=6.814000e+00 assign (segid " " and resid 731 and name HB1) (segid " " and resid 815 and name HG21) 3.131 1.225 1.225 weight 1.000 ! spec=c13n...li-5, no=1070, id=1936, vol=1.396400e+00 assign (segid " " and resid 818 and name HD2) (segid " " and resid 818 and name HD1) 1.862 0.434 0.434 weight 1.000 ! spec=c13n...li-5, no=1074, id=1938, vol=3.152790e+01 assign (segid " " and resid 818 and name HD2) (segid " " and resid 818 and name HB2) 2.641 0.872 0.872 weight 1.000 ! spec=c13n...li-5, no=1075, id=1939, vol=3.873500e+00 assign (segid " " and resid 818 and name HD2) (segid " " and resid 818 and name HB1) 2.767 0.957 0.957 weight 1.000 ! spec=c13n...li-5, no=1076, id=1940, vol=2.933300e+00 assign (segid " " and resid 818 and name HD1) (segid " " and resid 818 and name HA) 2.581 0.832 0.832 weight 1.000 ! spec=c13n...li-5, no=1078, id=1942, vol=4.453400e+00 assign (segid " " and resid 818 and name HD1) (segid " " and resid 818 and name HB2) 2.451 0.751 0.751 weight 1.000 ! spec=c13n...li-5, no=1080, id=1944, vol=6.065900e+00 assign (segid " " and resid 733 and name HB2) (segid " " and resid 737 and name HB2) 2.699 0.911 0.911 weight 1.000 ! spec=c13n...li-5, no=1082, id=1946, vol=3.403200e+00 assign (segid " " and resid 778 and name HB2) (segid " " and resid 778 and name HB1) 2.557 0.817 0.817 weight 1.000 ! spec=c13n...li-5, no=1083, id=1947, vol=4.706100e+00 assign (segid " " and resid 737 and name HB2) (segid " " and resid 737 and name HB1) 2.079 0.541 0.541 weight 1.000 ! spec=c13n...li-5, no=1084, id=1948, vol=1.626680e+01 assign (segid " " and resid 733 and name HB2) (segid " " and resid 737 and name HB1) 2.668 0.890 0.890 weight 1.000 ! spec=c13n...li-5, no=1085, id=1949, vol=3.643200e+00 assign (segid " " and resid 733 and name HB1) (segid " " and resid 737 and name HB1) 2.832 1.003 1.003 weight 1.000 ! spec=c13n...li-5, no=1089, id=1952, vol=2.549500e+00 assign (segid " " and resid 737 and name HB1) (segid " " and resid 733 and name HD21) 2.820 0.994 0.994 weight 1.000 ! spec=c13n...li-5, no=1090, id=1953, vol=2.616000e+00 assign (segid " " and resid 812 and name HB2) (segid " " and resid 812 and name HB1) 2.131 0.568 0.568 weight 1.000 ! spec=c13n...li-5, no=1093, id=1956, vol=1.403910e+01 assign (segid " " and resid 812 and name HB1) (segid " " and resid 792 and name HG21) 2.665 0.888 0.888 weight 1.000 ! spec=c13n...li-5, no=1094, id=1957, vol=3.668600e+00 assign (segid " " and resid 778 and name HB1) (segid " " and resid 773 and name HD11) 2.990 1.118 1.118 weight 1.000 ! spec=c13n...li-5, no=1095, id=1958, vol=1.839100e+00 assign (segid " " and resid 778 and name HB2) (segid " " and resid 745 and name HD11) 2.906 1.056 1.056 weight 1.000 ! spec=c13n...li-5, no=1099, id=1962, vol=2.182300e+00 assign (segid " " and resid 812 and name HB2) (segid " " and resid 792 and name HG21) 2.354 0.693 3.646 weight 1.000 ! spec=c13n...li-5, no=1102, id=1965, vol=7.734400e+00 assign (segid " " and resid 800 and name HB2) (segid " " and resid 800 and name HB1) 2.413 0.728 0.728 weight 1.000 ! spec=c13n...li-5, no=1105, id=1967, vol=6.665000e+00 assign (segid " " and resid 800 and name HB1) (segid " " and resid 721 and name HG1) 2.867 1.027 3.133 weight 1.000 ! spec=c13n...li-5, no=1106, id=1968, vol=2.369500e+00 assign (segid " " and resid 778 and name HB1) (segid " " and resid 777 and name HB2) 2.699 0.911 3.301 weight 1.000 ! spec=c13n...li-5, no=1110, id=1971, vol=3.399200e+00 assign (segid " " and resid 778 and name HB1) (segid " " and resid 780 and name HG12) 2.969 1.102 3.031 weight 1.000 ! spec=c13n...li-5, no=1111, id=1972, vol=1.921100e+00 assign (segid " " and resid 798 and name HB) (segid " " and resid 753 and name HA) 2.948 1.086 1.086 weight 1.000 ! spec=c13n...li-5, no=1113, id=1974, vol=2.005000e+00 assign (segid " " and resid 795 and name HB2) (segid " " and resid 795 and name HD11) 2.225 0.619 0.619 weight 1.000 ! spec=c13n...li-5, no=1119, id=1977, vol=1.083970e+01 assign (segid " " and resid 745 and name HB2) (segid " " and resid 745 and name HB1) 2.270 0.644 0.644 weight 1.000 ! spec=c13n...li-5, no=1136, id=1986, vol=9.602800e+00 assign (segid " " and resid 745 and name HB1) (segid " " and resid 745 and name HD11) 2.882 1.038 1.038 weight 1.000 ! spec=c13n...li-5, no=1140, id=1990, vol=2.297900e+00 assign (segid " " and resid 795 and name HB2) (segid " " and resid 808 and name HB2) 2.595 0.842 0.842 weight 1.000 ! spec=c13n...li-5, no=1143, id=1992, vol=4.306700e+00 assign (segid " " and resid 725 and name HB2) (segid " " and resid 725 and name HB1) 2.213 0.612 0.612 weight 1.000 ! spec=c13n...li-5, no=1146, id=1994, vol=1.121180e+01 assign (segid " " and resid 725 and name HB2) (segid " " and resid 725 and name HD11) 2.305 0.664 0.664 weight 1.000 ! spec=c13n...li-5, no=1148, id=1996, vol=8.777800e+00 assign (segid " " and resid 795 and name HB1) (segid " " and resid 795 and name HG) 2.398 0.719 0.719 weight 1.000 ! spec=c13n...li-5, no=1150, id=1998, vol=6.922900e+00 assign (segid " " and resid 795 and name HB1) (segid " " and resid 808 and name HB2) 2.729 0.931 0.931 weight 1.000 ! spec=c13n...li-5, no=1151, id=1999, vol=3.187400e+00 assign (segid " " and resid 795 and name HB1) (segid " " and resid 795 and name HD21) 2.277 0.648 0.648 weight 1.000 ! spec=c13n...li-5, no=1155, id=2002, vol=9.435300e+00 assign (segid " " and resid 774 and name HE2) (segid " " and resid 774 and name HG1) 1.926 0.464 1.464 weight 1.000 ! spec=c13n...li-5, no=1156, id=2003, vol=2.573290e+01 assign (segid " " and resid 720 and name HE2) (segid " " and resid 720 and name HG2) 1.972 0.486 2.486 weight 1.000 ! spec=c13n...li-5, no=1159, id=2005, vol=2.238150e+01 assign (segid " " and resid 766 and name HE2) (segid " " and resid 766 and name HG1) 2.284 0.652 0.652 weight 1.000 ! spec=c13n...li-5, no=1164, id=2010, vol=9.263100e+00 assign (segid " " and resid 758 and name HB) (segid " " and resid 758 and name HG12) 2.536 0.804 0.804 weight 1.000 ! spec=c13n...li-5, no=1167, id=2012, vol=4.942200e+00 assign (segid " " and resid 758 and name HB) (segid " " and resid 760 and name HG21) 2.937 1.078 3.063 weight 1.000 ! spec=c13n...li-5, no=1170, id=2015, vol=2.050200e+00 assign (segid " " and resid 735 and name HB2) (segid " " and resid 819 and name HB1) 2.939 1.079 3.061 weight 1.000 ! spec=c13n...li-5, no=1172, id=2016, vol=2.042800e+00 assign (segid " " and resid 819 and name HA) (segid " " and resid 735 and name HB2) 2.644 0.874 0.874 weight 1.000 ! spec=c13n...li-5, no=1175, id=2019, vol=3.848500e+00 assign (segid " " and resid 735 and name HA) (segid " " and resid 735 and name HB1) 2.289 0.655 0.655 weight 1.000 ! spec=c13n...li-5, no=1180, id=2022, vol=9.144500e+00 assign (segid " " and resid 735 and name HB1) (segid " " and resid 735 and name HD21) 2.727 0.930 0.930 weight 1.000 ! spec=c13n...li-5, no=1184, id=2024, vol=3.197200e+00 assign (segid " " and resid 735 and name HB1) (segid " " and resid 735 and name HD11) 2.655 0.881 0.881 weight 1.000 ! spec=c13n...li-5, no=1185, id=2025, vol=3.755700e+00 assign (segid " " and resid 795 and name HA) (segid " " and resid 755 and name HB2) 2.615 0.855 0.855 weight 1.000 ! spec=c13n...li-5, no=1187, id=2027, vol=4.116500e+00 assign (segid " " and resid 752 and name HB) (segid " " and resid 799 and name HE2) 2.617 0.856 3.383 weight 1.000 ! spec=c13n...li-5, no=1192, id=2031, vol=4.095200e+00 assign (segid " " and resid 803 and name HA1) (segid " " and resid 799 and name HE2) 2.697 0.909 0.909 weight 1.000 ! spec=c13n...li-5, no=1193, id=2032, vol=3.418700e+00 assign (segid " " and resid 755 and name HB1) (segid " " and resid 795 and name HD21) 2.789 0.972 0.972 weight 1.000 ! spec=c13n...li-5, no=1197, id=2036, vol=2.797700e+00 assign (segid " " and resid 790 and name HB1) (segid " " and resid 760 and name HA) 3.108 1.207 2.892 weight 1.000 ! spec=c13n...li-5, no=1203, id=2040, vol=1.459500e+00 assign (segid " " and resid 768 and name HB2) (segid " " and resid 768 and name HB1) 2.573 0.827 0.827 weight 1.000 ! spec=c13n...li-5, no=1204, id=2041, vol=4.535700e+00 assign (segid " " and resid 792 and name HB) (segid " " and resid 760 and name HG21) 2.939 1.080 1.080 weight 1.000 ! spec=c13n...li-5, no=1206, id=2042, vol=2.040200e+00 assign (segid " " and resid 792 and name HB) (segid " " and resid 792 and name HG12) 2.439 0.743 0.743 weight 1.000 ! spec=c13n...li-5, no=1209, id=2044, vol=6.256200e+00 assign (segid " " and resid 792 and name HB) (segid " " and resid 792 and name HD11) 2.162 0.584 0.584 weight 1.000 ! spec=c13n...li-5, no=1211, id=2046, vol=1.289230e+01 assign (segid " " and resid 752 and name HB) (segid " " and resid 799 and name HE1) 2.643 0.873 2.100 weight 1.000 ! spec=c13n...li-5, no=1214, id=2048, vol=3.859800e+00 assign (segid " " and resid 803 and name HA2) (segid " " and resid 799 and name HE2) 2.524 0.797 2.500 weight 1.000 ! spec=c13n...li-5, no=1216, id=2050, vol=5.082400e+00 assign (segid " " and resid 791 and name HB2) (segid " " and resid 815 and name HB) 2.501 0.782 0.782 weight 1.000 ! spec=c13n...li-5, no=1218, id=2051, vol=5.368600e+00 assign (segid " " and resid 790 and name HB2) (segid " " and resid 791 and name HD1) 3.024 1.143 2.976 weight 1.000 ! spec=c13n...li-5, no=1220, id=2053, vol=1.721600e+00 assign (segid " " and resid 768 and name HB2) (segid " " and resid 768 and name HD1) 3.091 1.194 1.194 weight 1.000 ! spec=c13n...li-5, no=1231, id=2063, vol=1.508800e+00 assign (segid " " and resid 730 and name HB2) (segid " " and resid 815 and name HA) 3.008 1.131 2.500 weight 1.000 ! spec=c13n...li-5, no=1233, id=2065, vol=1.775100e+00 assign (segid " " and resid 768 and name HB2) (segid " " and resid 770 and name HD11) 2.973 1.105 1.105 weight 1.000 ! spec=c13n...li-5, no=1236, id=2067, vol=1.906100e+00 assign (segid " " and resid 730 and name HB2) (segid " " and resid 732 and name HD2) 3.100 1.201 2.900 weight 1.000 ! spec=c13n...li-5, no=1241, id=2071, vol=1.483300e+00 assign (segid " " and resid 730 and name HA) (segid " " and resid 730 and name HB1) 2.334 0.681 0.681 weight 1.000 ! spec=c13n...li-5, no=1242, id=2072, vol=8.137700e+00 assign (segid " " and resid 730 and name HB2) (segid " " and resid 730 and name HB1) 1.977 0.489 0.489 weight 1.000 ! spec=c13n...li-5, no=1243, id=2073, vol=2.202270e+01 assign (segid " " and resid 815 and name HB) (segid " " and resid 815 and name HG12) 2.759 0.951 0.951 weight 1.000 ! spec=c13n...li-5, no=1246, id=2075, vol=2.984700e+00 assign (segid " " and resid 815 and name HB) (segid " " and resid 815 and name HD11) 2.368 0.701 0.701 weight 1.000 ! spec=c13n...li-5, no=1247, id=2076, vol=7.468400e+00 assign (segid " " and resid 815 and name HB) (segid " " and resid 815 and name HG21) 2.616 0.855 0.855 weight 1.000 ! spec=c13n...li-5, no=1248, id=2077, vol=4.104100e+00 assign (segid " " and resid 785 and name HB2) (segid " " and resid 785 and name HD1) 3.028 1.146 1.146 weight 1.000 ! spec=c13n...li-5, no=1249, id=2078, vol=1.705400e+00 assign (segid " " and resid 785 and name HB1) (segid " " and resid 817 and name HG11) 2.648 0.877 3.352 weight 1.000 ! spec=c13n...li-5, no=1250, id=2079, vol=3.811800e+00 assign (segid " " and resid 757 and name HB) (segid " " and resid 755 and name HD1) 2.583 0.834 3.417 weight 1.000 ! spec=c13n...li-5, no=1255, id=2083, vol=4.429700e+00 assign (segid " " and resid 757 and name HB) (segid " " and resid 757 and name HG11) 2.491 0.775 0.775 weight 1.000 ! spec=c13n...li-5, no=1258, id=2085, vol=5.510700e+00 assign (segid " " and resid 757 and name HB) (segid " " and resid 766 and name HB2) 2.534 0.803 0.803 weight 1.000 ! spec=c13n...li-5, no=1259, id=2086, vol=4.969600e+00 assign (segid " " and resid 757 and name HB) (segid " " and resid 757 and name HD11) 2.366 0.700 3.634 weight 1.000 ! spec=c13n...li-5, no=1262, id=2089, vol=7.501500e+00 assign (segid " " and resid 780 and name HB) (segid " " and resid 741 and name HG11) 2.897 1.049 1.049 weight 1.000 ! spec=c13n...li-5, no=1268, id=2094, vol=2.224500e+00 assign (segid " " and resid 773 and name HB) (segid " " and resid 770 and name HG21) 3.047 1.160 1.160 weight 1.000 ! spec=c13n...li-5, no=1271, id=2097, vol=1.643900e+00 assign (segid " " and resid 773 and name HB) (segid " " and resid 773 and name HG11) 2.841 1.009 1.009 weight 1.000 ! spec=c13n...li-5, no=1276, id=2101, vol=2.501900e+00 assign (segid " " and resid 776 and name HB2) (segid " " and resid 776 and name HB1) 1.927 0.464 0.464 weight 1.000 ! spec=c13n...li-5, no=1278, id=2103, vol=2.565590e+01 assign (segid " " and resid 776 and name HB2) (segid " " and resid 745 and name HB2) 3.003 1.128 2.997 weight 1.000 ! spec=c13n...li-5, no=1284, id=2107, vol=1.792300e+00 assign (segid " " and resid 761 and name HB2) (segid " " and resid 761 and name HB1) 2.239 0.626 0.626 weight 1.000 ! spec=c13n...li-5, no=1288, id=2109, vol=1.045440e+01 assign (segid " " and resid 761 and name HB1) (segid " " and resid 761 and name HD1) 3.130 1.225 1.225 weight 1.000 ! spec=c13n...li-5, no=1289, id=2110, vol=1.397900e+00 assign (segid " " and resid 753 and name HB2) (segid " " and resid 770 and name HB) 2.621 0.859 0.859 weight 1.000 ! spec=c13n...li-5, no=1292, id=2112, vol=4.058700e+00 assign (segid " " and resid 770 and name HB) (segid " " and resid 770 and name HD11) 2.445 0.747 3.555 weight 1.000 ! spec=c13n...li-5, no=1294, id=2114, vol=6.153300e+00 assign (segid " " and resid 770 and name HB) (segid " " and resid 770 and name HG21) 2.333 0.680 0.680 weight 1.000 ! spec=c13n...li-5, no=1295, id=2115, vol=8.159400e+00 assign (segid " " and resid 770 and name HB) (segid " " and resid 773 and name HG21) 2.474 0.765 3.526 weight 1.000 ! spec=c13n...li-5, no=1296, id=2116, vol=5.733100e+00 assign (segid " " and resid 769 and name HG2) (segid " " and resid 769 and name HG1) 2.139 0.572 0.572 weight 1.000 ! spec=c13n...li-5, no=1301, id=2119, vol=1.372610e+01 assign (segid " " and resid 769 and name HA) (segid " " and resid 769 and name HG2) 2.546 0.810 0.810 weight 1.000 ! spec=c13n...li-5, no=1302, id=2120, vol=4.831300e+00 assign (segid " " and resid 769 and name HG2) (segid " " and resid 752 and name HG21) 2.289 0.655 0.655 weight 1.000 ! spec=c13n...li-5, no=1303, id=2121, vol=9.135300e+00 assign (segid " " and resid 769 and name HA) (segid " " and resid 769 and name HG1) 2.992 1.119 1.119 weight 1.000 ! spec=c13n...li-5, no=1304, id=2122, vol=1.835200e+00 assign (segid " " and resid 772 and name HG2) (segid " " and resid 772 and name HA) 2.542 0.808 3.458 weight 1.000 ! spec=c13n...li-5, no=1310, id=2127, vol=4.876500e+00 assign (segid " " and resid 772 and name HG2) (segid " " and resid 771 and name HB1) 2.730 0.932 0.932 weight 1.000 ! spec=c13n...li-5, no=1311, id=2128, vol=3.178100e+00 assign (segid " " and resid 772 and name HG1) (segid " " and resid 771 and name HB2) 2.815 0.991 0.991 weight 1.000 ! spec=c13n...li-5, no=1314, id=2130, vol=2.641000e+00 assign (segid " " and resid 772 and name HG1) (segid " " and resid 771 and name HB1) 2.624 0.861 0.861 weight 1.000 ! spec=c13n...li-5, no=1315, id=2131, vol=4.029400e+00 assign (segid " " and resid 772 and name HA) (segid " " and resid 772 and name HG1) 2.462 0.758 0.758 weight 1.000 ! spec=c13n...li-5, no=1316, id=2132, vol=5.899800e+00 assign (segid " " and resid 799 and name HB2) (segid " " and resid 752 and name HG21) 2.716 0.922 3.284 weight 1.000 ! spec=c13n...li-5, no=1322, id=2136, vol=3.280100e+00 assign (segid " " and resid 799 and name HB2) (segid " " and resid 805 and name HG11) 3.062 1.172 2.938 weight 1.000 ! spec=c13n...li-5, no=1323, id=2137, vol=1.596000e+00 assign (segid " " and resid 799 and name HB2) (segid " " and resid 799 and name HE1) 2.978 1.109 1.109 weight 1.000 ! spec=c13n...li-5, no=1325, id=2139, vol=1.884900e+00 assign (segid " " and resid 799 and name HB1) (segid " " and resid 805 and name HG11) 3.067 1.176 2.933 weight 1.000 ! spec=c13n...li-5, no=1329, id=2142, vol=1.579700e+00 assign (segid " " and resid 759 and name HG1) (segid " " and resid 759 and name HG2) 2.233 0.623 0.623 weight 1.000 ! spec=c13n...li-5, no=1330, id=2143, vol=1.060530e+01 assign (segid " " and resid 759 and name HG2) (segid " " and resid 760 and name HG21) 2.857 1.020 3.143 weight 1.000 ! spec=c13n...li-5, no=1332, id=2145, vol=2.419300e+00 assign (segid " " and resid 777 and name HG2) (segid " " and resid 777 and name HA) 2.582 0.833 0.833 weight 1.000 ! spec=c13n...li-5, no=1333, id=2146, vol=4.437100e+00 assign (segid " " and resid 777 and name HG2) (segid " " and resid 777 and name HB1) 2.116 0.560 3.884 weight 1.000 ! spec=c13n...li-5, no=1334, id=2147, vol=1.465620e+01 assign (segid " " and resid 777 and name HG2) (segid " " and resid 744 and name HA) 3.209 1.287 1.287 weight 1.000 ! spec=c13n...li-5, no=1335, id=2148, vol=1.205500e+00 assign (segid " " and resid 777 and name HG1) (segid " " and resid 777 and name HB1) 2.003 0.501 0.501 weight 1.000 ! spec=c13n...li-5, no=1339, id=2150, vol=2.038630e+01 assign (segid " " and resid 777 and name HG1) (segid " " and resid 777 and name HA) 2.615 0.855 0.855 weight 1.000 ! spec=c13n...li-5, no=1340, id=2151, vol=4.116200e+00 assign (segid " " and resid 759 and name HG1) (segid " " and resid 759 and name HB1) 2.754 0.948 0.948 weight 1.000 ! spec=c13n...li-5, no=1343, id=2153, vol=3.013100e+00 assign (segid " " and resid 766 and name HB2) (segid " " and resid 755 and name HD1) 2.465 0.760 3.535 weight 1.000 ! spec=c13n...li-5, no=1352, id=2156, vol=5.863900e+00 assign (segid " " and resid 750 and name HB1) (segid " " and resid 750 and name HD1) 2.546 0.811 0.811 weight 1.000 ! spec=c13n...li-5, no=1359, id=2162, vol=4.825100e+00 assign (segid " " and resid 746 and name HA) (segid " " and resid 746 and name HB2) 2.281 0.650 0.650 weight 1.000 ! spec=c13n...li-5, no=1360, id=2163, vol=9.339000e+00 assign (segid " " and resid 743 and name HB) (segid " " and resid 745 and name HG) 3.010 1.133 2.990 weight 1.000 ! spec=c13n...li-5, no=1369, id=2168, vol=1.767700e+00 assign (segid " " and resid 743 and name HB) (segid " " and resid 725 and name HD21) 2.570 0.826 0.826 weight 1.000 ! spec=c13n...li-5, no=1371, id=2170, vol=4.564600e+00 assign (segid " " and resid 743 and name HB) (segid " " and resid 745 and name HD11) 2.808 0.985 3.192 weight 1.000 ! spec=c13n...li-5, no=1372, id=2171, vol=2.686000e+00 assign (segid " " and resid 743 and name HB) (segid " " and resid 780 and name HD11) 2.856 1.019 3.144 weight 1.000 ! spec=c13n...li-5, no=1374, id=2173, vol=2.426000e+00 assign (segid " " and resid 750 and name HA) (segid " " and resid 750 and name HB2) 2.094 0.548 0.548 weight 1.000 ! spec=c13n...li-5, no=1375, id=2174, vol=1.559810e+01 assign (segid " " and resid 750 and name HB2) (segid " " and resid 772 and name HA) 2.272 0.645 0.645 weight 1.000 ! spec=c13n...li-5, no=1376, id=2175, vol=9.567300e+00 assign (segid " " and resid 750 and name HB2) (segid " " and resid 750 and name HB1) 1.818 0.413 0.413 weight 1.000 ! spec=c13n...li-5, no=1381, id=2179, vol=3.637300e+01 assign (segid " " and resid 806 and name HB) (segid " " and resid 798 and name HB) 2.700 0.911 3.300 weight 1.000 ! spec=c13n...li-5, no=1382, id=2180, vol=3.395100e+00 assign (segid " " and resid 750 and name HB2) (segid " " and resid 774 and name HG2) 2.760 0.952 0.952 weight 1.000 ! spec=c13n...li-5, no=1383, id=2181, vol=2.978700e+00 assign (segid " " and resid 750 and name HA) (segid " " and resid 750 and name HB1) 2.331 0.679 0.679 weight 1.000 ! spec=c13n...li-5, no=1384, id=2182, vol=8.192200e+00 assign (segid " " and resid 806 and name HB) (segid " " and resid 806 and name HG11) 2.060 0.531 3.940 weight 1.000 ! spec=c13n...li-5, no=1389, id=2186, vol=1.719140e+01 assign (segid " " and resid 806 and name HB) (segid " " and resid 806 and name HG21) 2.121 0.562 3.879 weight 1.000 ! spec=c13n...li-5, no=1390, id=2187, vol=1.445860e+01 assign (segid " " and resid 806 and name HB) (segid " " and resid 798 and name HG21) 2.269 0.643 0.643 weight 1.000 ! spec=c13n...li-5, no=1391, id=2188, vol=9.642400e+00 assign (segid " " and resid 771 and name HB2) (segid " " and resid 752 and name HA) 3.168 1.254 1.254 weight 1.000 ! spec=c13n...li-5, no=1392, id=2189, vol=1.302300e+00 assign (segid " " and resid 771 and name HB2) (segid " " and resid 752 and name HG21) 2.894 1.047 1.047 weight 1.000 ! spec=c13n...li-5, no=1395, id=2192, vol=2.236900e+00 assign (segid " " and resid 771 and name HB1) (segid " " and resid 771 and name HA) 2.604 0.848 0.848 weight 1.000 ! spec=c13n...li-5, no=1396, id=2193, vol=4.214400e+00 assign (segid " " and resid 771 and name HA) (segid " " and resid 771 and name HB2) 2.442 0.746 0.746 weight 1.000 ! spec=c13n...li-5, no=1397, id=2194, vol=6.196300e+00 assign (segid " " and resid 752 and name HA) (segid " " and resid 771 and name HB1) 3.095 1.197 2.905 weight 1.000 ! spec=c13n...li-5, no=1398, id=2195, vol=1.496100e+00 assign (segid " " and resid 780 and name HB) (segid " " and resid 741 and name HB) 2.207 0.609 3.793 weight 1.000 ! spec=c13n...li-5, no=1401, id=2197, vol=1.137670e+01 assign (segid " " and resid 741 and name HB) (segid " " and resid 780 and name HG21) 2.876 1.034 3.124 weight 1.000 ! spec=c13n...li-5, no=1404, id=2200, vol=2.324200e+00 assign (segid " " and resid 765 and name HB2) (segid " " and resid 758 and name HA) 2.686 0.902 3.314 weight 1.000 ! spec=c13n...li-5, no=1408, id=2204, vol=3.502400e+00 assign (segid " " and resid 816 and name HG2) (segid " " and resid 816 and name HG1) 2.233 0.623 0.623 weight 1.000 ! spec=c13n...li-5, no=1419, id=2210, vol=1.060220e+01 assign (segid " " and resid 816 and name HA) (segid " " and resid 816 and name HG1) 2.805 0.983 0.983 weight 1.000 ! spec=c13n...li-5, no=1422, id=2213, vol=2.700900e+00 assign (segid " " and resid 816 and name HG1) (segid " " and resid 816 and name HB1) 2.494 0.778 0.778 weight 1.000 ! spec=c13n...li-5, no=1423, id=2214, vol=5.466000e+00 assign (segid " " and resid 765 and name HB2) (segid " " and resid 758 and name HG21) 2.800 0.980 0.980 weight 1.000 ! spec=c13n...li-5, no=1426, id=2216, vol=2.730500e+00 assign (segid " " and resid 796 and name HB) (segid " " and resid 754 and name HG21) 2.208 0.609 0.609 weight 1.000 ! spec=c13n...li-5, no=1437, id=2224, vol=1.136100e+01 assign (segid " " and resid 796 and name HB) (segid " " and resid 796 and name HG21) 2.146 0.575 0.575 weight 1.000 ! spec=c13n...li-5, no=1439, id=2226, vol=1.348190e+01 assign (segid " " and resid 810 and name HG2) (segid " " and resid 810 and name HG1) 2.837 1.006 1.006 weight 1.000 ! spec=c13n...li-5, no=1442, id=2229, vol=2.522000e+00 assign (segid " " and resid 774 and name HB2) (segid " " and resid 774 and name HG1) 2.601 0.846 0.846 weight 1.000 ! spec=c13n...li-5, no=1444, id=2230, vol=4.250300e+00 assign (segid " " and resid 774 and name HB2) (segid " " and resid 774 and name HG2) 2.535 0.803 0.803 weight 1.000 ! spec=c13n...li-5, no=1447, id=2233, vol=4.952800e+00 assign (segid " " and resid 805 and name HB) (segid " " and resid 805 and name HG21) 1.949 0.475 4.051 weight 1.000 ! spec=c13n...li-5, no=1450, id=2236, vol=2.397260e+01 assign (segid " " and resid 774 and name HB2) (segid " " and resid 774 and name HB1) 2.022 0.511 0.511 weight 1.000 ! spec=c13n...li-5, no=1456, id=2241, vol=1.925660e+01 assign (segid " " and resid 818 and name HB1) (segid " " and resid 818 and name HD1) 2.729 0.931 0.931 weight 1.000 ! spec=c13n...li-5, no=1457, id=2242, vol=3.187200e+00 assign (segid " " and resid 764 and name HB1) (segid " " and resid 764 and name HG1) 2.207 0.609 3.793 weight 1.000 ! spec=c13n...li-5, no=1463, id=2246, vol=1.137090e+01 assign (segid " " and resid 764 and name HB1) (segid " " and resid 764 and name HA) 2.310 0.667 0.667 weight 1.000 ! spec=c13n...li-5, no=1464, id=2247, vol=8.656800e+00 assign (segid " " and resid 721 and name HB1) (segid " " and resid 720 and name HA) 3.092 1.195 2.908 weight 1.000 ! spec=c13n...li-5, no=1473, id=2250, vol=1.504200e+00 assign (segid " " and resid 721 and name HB1) (segid " " and resid 721 and name HD1) 2.839 1.008 1.008 weight 1.000 ! spec=c13n...li-5, no=1476, id=2252, vol=2.510500e+00 assign (segid " " and resid 721 and name HB1) (segid " " and resid 798 and name HG21) 2.535 0.803 0.803 weight 1.000 ! spec=c13n...li-5, no=1477, id=2253, vol=4.955100e+00 assign (segid " " and resid 769 and name HB2) (segid " " and resid 754 and name HA) 2.867 1.027 3.133 weight 1.000 ! spec=c13n...li-5, no=1478, id=2254, vol=2.369100e+00 assign (segid " " and resid 769 and name HA) (segid " " and resid 769 and name HB2) 2.415 0.729 0.729 weight 1.000 ! spec=c13n...li-5, no=1479, id=2255, vol=6.625100e+00 assign (segid " " and resid 769 and name HB2) (segid " " and resid 769 and name HB1) 1.773 0.393 0.393 weight 1.000 ! spec=c13n...li-5, no=1480, id=2256, vol=4.241280e+01 assign (segid " " and resid 742 and name HA) (segid " " and resid 742 and name HB1) 2.225 0.619 0.619 weight 1.000 ! spec=c13n...li-5, no=1482, id=2258, vol=1.085440e+01 assign (segid " " and resid 769 and name HB1) (segid " " and resid 754 and name HG21) 2.438 0.743 0.743 weight 1.000 ! spec=c13n...li-5, no=1488, id=2264, vol=6.264500e+00 assign (segid " " and resid 769 and name HB1) (segid " " and resid 771 and name HE2) 2.708 0.917 3.292 weight 1.000 ! spec=c13n...li-5, no=1490, id=2266, vol=3.335800e+00 or (segid " " and resid 769 and name HB1) (segid " " and resid 771 and name HE1) assign (segid " " and resid 738 and name HB2) (segid " " and resid 738 and name HD2) 2.909 1.058 1.058 weight 1.000 ! spec=c13n...li-5, no=1491, id=2267, vol=2.170200e+00 assign (segid " " and resid 738 and name HB1) (segid " " and resid 738 and name HD2) 3.015 1.136 1.136 weight 1.000 ! spec=c13n...li-5, no=1494, id=2270, vol=1.751100e+00 assign (segid " " and resid 738 and name HA) (segid " " and resid 738 and name HB1) 2.399 0.720 0.720 weight 1.000 ! spec=c13n...li-5, no=1496, id=2272, vol=6.893000e+00 assign (segid " " and resid 721 and name HB2) (segid " " and resid 747 and name HA1) 2.415 0.729 0.729 weight 1.000 ! spec=c13n...li-5, no=1498, id=2274, vol=6.635500e+00 assign (segid " " and resid 738 and name HB2) (segid " " and resid 738 and name HB1) 2.263 0.640 0.640 weight 1.000 ! spec=c13n...li-5, no=1499, id=2275, vol=9.784400e+00 assign (segid " " and resid 721 and name HB2) (segid " " and resid 721 and name HB1) 2.091 0.546 0.546 weight 1.000 ! spec=c13n...li-5, no=1501, id=2276, vol=1.574850e+01 assign (segid " " and resid 742 and name HD1) (segid " " and resid 742 and name HB2) 2.790 0.973 0.973 weight 1.000 ! spec=c13n...li-5, no=1509, id=2283, vol=2.791700e+00 assign (segid " " and resid 742 and name HB2) (segid " " and resid 742 and name HG1) 2.357 0.695 0.695 weight 1.000 ! spec=c13n...li-5, no=1511, id=2284, vol=7.663700e+00 assign (segid " " and resid 742 and name HB2) (segid " " and resid 742 and name HB1) 1.892 0.447 0.447 weight 1.000 ! spec=c13n...li-5, no=1512, id=2285, vol=2.871310e+01 assign (segid " " and resid 779 and name HA) (segid " " and resid 742 and name HB1) 2.937 1.079 1.079 weight 1.000 ! spec=c13n...li-5, no=1514, id=2287, vol=2.047600e+00 assign (segid " " and resid 742 and name HB1) (segid " " and resid 742 and name HG1) 2.375 0.705 0.705 weight 1.000 ! spec=c13n...li-5, no=1516, id=2289, vol=7.336900e+00 assign (segid " " and resid 742 and name HB1) (segid " " and resid 742 and name HD2) 3.109 1.208 1.208 weight 1.000 ! spec=c13n...li-5, no=1517, id=2290, vol=1.457800e+00 assign (segid " " and resid 742 and name HB1) (segid " " and resid 742 and name HD1) 2.751 0.946 3.249 weight 1.000 ! spec=c13n...li-5, no=1518, id=2291, vol=3.035500e+00 assign (segid " " and resid 742 and name HB1) (segid " " and resid 779 and name HB) 2.749 0.945 3.251 weight 1.000 ! spec=c13n...li-5, no=1519, id=2292, vol=3.048000e+00 assign (segid " " and resid 740 and name HA) (segid " " and resid 781 and name HB1) 3.016 1.137 2.000 weight 1.000 ! spec=c13n...li-5, no=1520, id=2293, vol=1.749300e+00 assign (segid " " and resid 779 and name HB) (segid " " and resid 779 and name HG11) 2.166 0.586 0.586 weight 1.000 ! spec=c13n...li-5, no=1526, id=2298, vol=1.274870e+01 assign (segid " " and resid 811 and name HB2) (segid " " and resid 811 and name HG2) 2.632 0.866 0.866 weight 1.000 ! spec=c13n...li-5, no=1528, id=2300, vol=3.961100e+00 assign (segid " " and resid 817 and name HB) (segid " " and resid 817 and name HG21) 2.450 0.751 0.751 weight 1.000 ! spec=c13n...li-5, no=1532, id=2303, vol=6.077100e+00 assign (segid " " and resid 817 and name HB) (segid " " and resid 816 and name HE22) 2.638 0.870 3.362 weight 1.000 ! spec=c13n...li-5, no=1533, id=2304, vol=3.903100e+00 assign (segid " " and resid 788 and name HA2) (segid " " and resid 817 and name HB) 2.533 0.802 3.000 weight 1.000 ! spec=c13n...li-5, no=1534, id=2305, vol=4.979500e+00 assign (segid " " and resid 788 and name HA1) (segid " " and resid 817 and name HB) 2.738 0.937 0.937 weight 1.000 ! spec=c13n...li-5, no=1535, id=2306, vol=3.122300e+00 assign (segid " " and resid 742 and name HD2) (segid " " and resid 742 and name HB2) 2.960 1.095 1.095 weight 1.000 ! spec=c13n...li-5, no=1536, id=2307, vol=1.956400e+00 assign (segid " " and resid 777 and name HB1) (segid " " and resid 778 and name HB1) 2.621 0.859 3.379 weight 1.000 ! spec=c13n...li-5, no=1538, id=2309, vol=4.055600e+00 assign (segid " " and resid 811 and name HB1) (segid " " and resid 811 and name HD1) 2.808 0.985 0.985 weight 1.000 ! spec=c13n...li-5, no=1541, id=2312, vol=2.685100e+00 assign (segid " " and resid 720 and name HB2) (segid " " and resid 720 and name HE2) 2.740 0.938 0.938 weight 1.000 ! spec=c13n...li-5, no=1542, id=2313, vol=3.109100e+00 assign (segid " " and resid 720 and name HB2) (segid " " and resid 720 and name HD2) 1.984 0.492 1.492 weight 1.000 ! spec=c13n...li-5, no=1544, id=2314, vol=2.156030e+01 assign (segid " " and resid 720 and name HB2) (segid " " and resid 720 and name HG2) 2.206 0.608 0.608 weight 1.000 ! spec=c13n...li-5, no=1545, id=2315, vol=1.142530e+01 assign (segid " " and resid 720 and name HB2) (segid " " and resid 806 and name HG11) 2.444 0.747 3.556 weight 1.000 ! spec=c13n...li-5, no=1546, id=2316, vol=6.165000e+00 assign (segid " " and resid 729 and name HB2) (segid " " and resid 729 and name HD2) 2.909 1.058 1.058 weight 1.000 ! spec=c13n...li-5, no=1547, id=2317, vol=2.169700e+00 assign (segid " " and resid 729 and name HB2) (segid " " and resid 729 and name HB1) 1.827 0.417 0.417 weight 1.000 ! spec=c13n...li-5, no=1550, id=2319, vol=3.532970e+01 assign (segid " " and resid 729 and name HB1) (segid " " and resid 729 and name HD2) 2.764 0.955 0.955 weight 1.000 ! spec=c13n...li-5, no=1551, id=2320, vol=2.949100e+00 assign (segid " " and resid 811 and name HB2) (segid " " and resid 811 and name HB1) 2.103 0.553 0.553 weight 1.000 ! spec=c13n...li-5, no=1556, id=2324, vol=1.520130e+01 assign (segid " " and resid 783 and name HB2) (segid " " and resid 783 and name HB1) 1.970 0.485 0.485 weight 1.000 ! spec=c13n...li-5, no=1558, id=2326, vol=2.247050e+01 assign (segid " " and resid 811 and name HA) (segid " " and resid 811 and name HB1) 2.495 0.778 0.778 weight 1.000 ! spec=c13n...li-5, no=1566, id=2330, vol=5.448900e+00 assign (segid " " and resid 784 and name HA) (segid " " and resid 784 and name HB) 2.358 0.695 0.695 weight 1.000 ! spec=c13n...li-5, no=1568, id=2332, vol=7.660200e+00 assign (segid " " and resid 783 and name HB1) (segid " " and resid 783 and name HG1) 2.549 0.812 0.812 weight 1.000 ! spec=c13n...li-5, no=1572, id=2336, vol=4.801000e+00 assign (segid " " and resid 783 and name HD1) (segid " " and resid 783 and name HB1) 2.915 1.062 1.062 weight 1.000 ! spec=c13n...li-5, no=1578, id=2341, vol=2.142000e+00 assign (segid " " and resid 816 and name HB2) (segid " " and resid 732 and name HA) 2.277 0.648 0.648 weight 1.000 ! spec=c13n...li-5, no=1582, id=2344, vol=9.431100e+00 assign (segid " " and resid 816 and name HB2) (segid " " and resid 816 and name HG2) 2.515 0.791 0.791 weight 1.000 ! spec=c13n...li-5, no=1583, id=2345, vol=5.195600e+00 assign (segid " " and resid 816 and name HB2) (segid " " and resid 816 and name HB1) 1.866 0.435 0.435 weight 1.000 ! spec=c13n...li-5, no=1586, id=2347, vol=3.117170e+01 assign (segid " " and resid 726 and name HB2) (segid " " and resid 726 and name HE1) 2.508 0.786 0.786 weight 1.000 ! spec=c13n...li-5, no=1588, id=2349, vol=5.288500e+00 assign (segid " " and resid 726 and name HB1) (segid " " and resid 726 and name HE1) 2.952 1.089 1.089 weight 1.000 ! spec=c13n...li-5, no=1590, id=2351, vol=1.986900e+00 assign (segid " " and resid 726 and name HB2) (segid " " and resid 726 and name HB1) 2.038 0.519 0.519 weight 1.000 ! spec=c13n...li-5, no=1592, id=2353, vol=1.834460e+01 assign (segid " " and resid 726 and name HB1) (segid " " and resid 726 and name HG1) 2.407 0.724 0.724 weight 1.000 ! spec=c13n...li-5, no=1593, id=2354, vol=6.772000e+00 assign (segid " " and resid 726 and name HA) (segid " " and resid 726 and name HB1) 2.628 0.863 0.863 weight 1.000 ! spec=c13n...li-5, no=1594, id=2355, vol=3.991300e+00 assign (segid " " and resid 819 and name HA) (segid " " and resid 819 and name HB1) 2.204 0.607 0.607 weight 1.000 ! spec=c13n...li-5, no=1597, id=2357, vol=1.146450e+01 assign (segid " " and resid 728 and name HB2) (segid " " and resid 728 and name HD2) 2.889 1.043 1.043 weight 1.000 ! spec=c13n...li-5, no=1602, id=2361, vol=2.262400e+00 assign (segid " " and resid 728 and name HB2) (segid " " and resid 729 and name HD2) 3.054 1.166 1.166 weight 1.000 ! spec=c13n...li-5, no=1605, id=2364, vol=1.621800e+00 assign (segid " " and resid 728 and name HB2) (segid " " and resid 727 and name HA) 2.263 0.640 3.737 weight 1.000 ! spec=c13n...li-5, no=1606, id=2365, vol=9.797000e+00 assign (segid " " and resid 728 and name HB1) (segid " " and resid 729 and name HD2) 2.721 0.926 0.926 weight 1.000 ! spec=c13n...li-5, no=1609, id=2366, vol=3.237500e+00 assign (segid " " and resid 728 and name HB1) (segid " " and resid 727 and name HA) 2.387 0.712 3.613 weight 1.000 ! spec=c13n...li-5, no=1610, id=2367, vol=7.114600e+00 assign (segid " " and resid 728 and name HB2) (segid " " and resid 728 and name HB1) 1.651 0.341 0.341 weight 1.000 ! spec=c13n...li-5, no=1615, id=2369, vol=6.494450e+01 assign (segid " " and resid 728 and name HB1) (segid " " and resid 728 and name HD2) 2.162 0.584 2.000 weight 1.000 ! spec=c13n...li-5, no=1616, id=2370, vol=1.288720e+01 assign (segid " " and resid 810 and name HA) (segid " " and resid 810 and name HB2) 2.723 0.927 0.927 weight 1.000 ! spec=c13n...li-5, no=1618, id=2371, vol=3.230200e+00 assign (segid " " and resid 810 and name HB2) (segid " " and resid 810 and name HG1) 2.876 1.034 1.034 weight 1.000 ! spec=c13n...li-5, no=1620, id=2373, vol=2.325200e+00 assign (segid " " and resid 810 and name HB2) (segid " " and resid 810 and name HB1) 2.305 0.664 0.664 weight 1.000 ! spec=c13n...li-5, no=1621, id=2374, vol=8.761900e+00 assign (segid " " and resid 810 and name HA) (segid " " and resid 810 and name HB1) 2.817 0.992 0.992 weight 1.000 ! spec=c13n...li-5, no=1622, id=2375, vol=2.633900e+00 assign (segid " " and resid 810 and name HB1) (segid " " and resid 811 and name HD1) 2.918 1.064 1.064 weight 1.000 ! spec=c13n...li-5, no=1623, id=2376, vol=2.132700e+00 assign (segid " " and resid 810 and name HB1) (segid " " and resid 810 and name HG1) 2.861 1.023 1.023 weight 1.000 ! spec=c13n...li-5, no=1625, id=2378, vol=2.397700e+00 assign (segid " " and resid 759 and name HB2) (segid " " and resid 759 and name HB1) 2.049 0.525 0.525 weight 1.000 ! spec=c13n...li-5, no=1638, id=2381, vol=1.776420e+01 assign (segid " " and resid 799 and name HD1) (segid " " and resid 803 and name HA2) 2.820 0.994 2.500 weight 1.000 ! spec=c13n...li-5, no=1648, id=2389, vol=2.617800e+00 assign (segid " " and resid 734 and name HB2) (segid " " and resid 734 and name HB1) 2.448 0.749 0.749 weight 1.000 ! spec=c13n...li-5, no=1651, id=2392, vol=6.110200e+00 assign (segid " " and resid 814 and name HD1) (segid " " and resid 814 and name HA) 2.662 0.886 3.338 weight 1.000 ! spec=c13n...li-5, no=1662, id=2401, vol=3.694000e+00 assign (segid " " and resid 726 and name HD1) (segid " " and resid 777 and name HA) 2.807 0.985 0.985 weight 1.000 ! spec=c13n...li-5, no=1664, id=2403, vol=2.688400e+00 assign (segid " " and resid 798 and name HG11) (segid " " and resid 798 and name HG12) 1.984 0.492 0.492 weight 1.000 ! spec=c13n...li-5, no=1668, id=2407, vol=2.157260e+01 assign (segid " " and resid 798 and name HG11) (segid " " and resid 798 and name HG21) 2.356 0.694 0.694 weight 1.000 ! spec=c13n...li-5, no=1669, id=2408, vol=7.693000e+00 assign (segid " " and resid 798 and name HB) (segid " " and resid 798 and name HG12) 2.523 0.796 0.796 weight 1.000 ! spec=c13n...li-5, no=1672, id=2410, vol=5.094600e+00 assign (segid " " and resid 721 and name HB2) (segid " " and resid 798 and name HG12) 3.138 1.231 2.862 weight 1.000 ! spec=c13n...li-5, no=1676, id=2413, vol=1.376700e+00 assign (segid " " and resid 758 and name HG12) (segid " " and resid 758 and name HG11) 1.917 0.459 0.459 weight 1.000 ! spec=c13n...li-5, no=1681, id=2417, vol=2.649960e+01 assign (segid " " and resid 765 and name HA) (segid " " and resid 758 and name HG11) 3.151 1.241 2.849 weight 1.000 ! spec=c13n...li-5, no=1687, id=2422, vol=1.343500e+00 assign (segid " " and resid 748 and name HB2) (segid " " and resid 751 and name HD1) 2.770 0.959 3.230 weight 1.000 ! spec=c13n...li-5, no=1694, id=2428, vol=2.914800e+00 assign (segid " " and resid 757 and name HG11) (segid " " and resid 755 and name HE1) 3.151 1.241 2.849 weight 1.000 ! spec=c13n...li-5, no=1696, id=2430, vol=1.344000e+00 assign (segid " " and resid 757 and name HA) (segid " " and resid 757 and name HG11) 2.622 0.859 0.859 weight 1.000 ! spec=c13n...li-5, no=1698, id=2432, vol=4.046500e+00 assign (segid " " and resid 757 and name HG11) (segid " " and resid 757 and name HG12) 2.018 0.509 0.509 weight 1.000 ! spec=c13n...li-5, no=1699, id=2433, vol=1.948710e+01 assign (segid " " and resid 757 and name HG11) (segid " " and resid 757 and name HD11) 2.323 0.675 0.675 weight 1.000 ! spec=c13n...li-5, no=1701, id=2435, vol=8.361300e+00 assign (segid " " and resid 757 and name HB) (segid " " and resid 757 and name HG12) 2.505 0.784 0.784 weight 1.000 ! spec=c13n...li-5, no=1705, id=2439, vol=5.322900e+00 assign (segid " " and resid 757 and name HG12) (segid " " and resid 793 and name HG) 2.628 0.863 0.863 weight 1.000 ! spec=c13n...li-5, no=1707, id=2441, vol=3.990900e+00 assign (segid " " and resid 757 and name HG12) (segid " " and resid 793 and name HD11) 2.851 1.016 1.016 weight 1.000 ! spec=c13n...li-5, no=1708, id=2442, vol=2.447300e+00 assign (segid " " and resid 757 and name HG12) (segid " " and resid 757 and name HD11) 2.344 0.687 0.687 weight 1.000 ! spec=c13n...li-5, no=1709, id=2443, vol=7.934300e+00 assign (segid " " and resid 793 and name HG) (segid " " and resid 757 and name HD11) 2.671 0.892 0.892 weight 1.000 ! spec=c13n...li-5, no=1710, id=2444, vol=3.625100e+00 assign (segid " " and resid 780 and name HG11) (segid " " and resid 780 and name HG12) 2.403 0.722 0.722 weight 1.000 ! spec=c13n...li-5, no=1712, id=2446, vol=6.837400e+00 assign (segid " " and resid 780 and name HG11) (segid " " and resid 780 and name HG21) 2.712 0.919 0.919 weight 1.000 ! spec=c13n...li-5, no=1713, id=2447, vol=3.305000e+00 assign (segid " " and resid 780 and name HG11) (segid " " and resid 780 and name HD11) 2.435 0.741 0.741 weight 1.000 ! spec=c13n...li-5, no=1714, id=2448, vol=6.314500e+00 assign (segid " " and resid 780 and name HG11) (segid " " and resid 778 and name HE2) 2.896 1.048 1.048 weight 1.000 ! spec=c13n...li-5, no=1715, id=2449, vol=2.231000e+00 assign (segid " " and resid 793 and name HA) (segid " " and resid 757 and name HG12) 2.874 1.032 1.032 weight 1.000 ! spec=c13n...li-5, no=1716, id=2450, vol=2.335800e+00 assign (segid " " and resid 780 and name HB) (segid " " and resid 780 and name HG12) 2.186 0.597 0.597 weight 1.000 ! spec=c13n...li-5, no=1721, id=2454, vol=1.205630e+01 assign (segid " " and resid 780 and name HG12) (segid " " and resid 743 and name HG11) 3.026 1.144 1.144 weight 1.000 ! spec=c13n...li-5, no=1722, id=2455, vol=1.713900e+00 assign (segid " " and resid 780 and name HG12) (segid " " and resid 741 and name HG11) 2.942 1.082 3.058 weight 1.000 ! spec=c13n...li-5, no=1723, id=2456, vol=2.027000e+00 assign (segid " " and resid 811 and name HG2) (segid " " and resid 811 and name HB1) 2.663 0.886 0.886 weight 1.000 ! spec=c13n...li-5, no=1727, id=2460, vol=3.691600e+00 assign (segid " " and resid 742 and name HG1) (segid " " and resid 726 and name HB1) 3.042 1.157 1.157 weight 1.000 ! spec=c13n...li-5, no=1728, id=2461, vol=1.659900e+00 assign (segid " " and resid 811 and name HD2) (segid " " and resid 811 and name HG1) 2.859 1.022 1.022 weight 1.000 ! spec=c13n...li-5, no=1729, id=2462, vol=2.408100e+00 assign (segid " " and resid 811 and name HG1) (segid " " and resid 811 and name HB2) 2.683 0.900 0.900 weight 1.000 ! spec=c13n...li-5, no=1731, id=2464, vol=3.529300e+00 assign (segid " " and resid 811 and name HG1) (segid " " and resid 811 and name HB1) 2.736 0.936 0.936 weight 1.000 ! spec=c13n...li-5, no=1732, id=2465, vol=3.134400e+00 assign (segid " " and resid 783 and name HD2) (segid " " and resid 783 and name HG2) 2.895 1.048 1.048 weight 1.000 ! spec=c13n...li-5, no=1734, id=2467, vol=2.233700e+00 assign (segid " " and resid 783 and name HG2) (segid " " and resid 783 and name HB2) 2.874 1.032 1.032 weight 1.000 ! spec=c13n...li-5, no=1736, id=2469, vol=2.335800e+00 assign (segid " " and resid 783 and name HB1) (segid " " and resid 783 and name HG2) 2.735 0.935 0.935 weight 1.000 ! spec=c13n...li-5, no=1738, id=2470, vol=3.141900e+00 assign (segid " " and resid 783 and name HG1) (segid " " and resid 783 and name HA) 2.966 1.099 1.099 weight 1.000 ! spec=c13n...li-5, no=1740, id=2472, vol=1.933100e+00 assign (segid " " and resid 783 and name HG1) (segid " " and resid 783 and name HD2) 2.965 1.099 1.099 weight 1.000 ! spec=c13n...li-5, no=1741, id=2473, vol=1.934100e+00 assign (segid " " and resid 783 and name HG1) (segid " " and resid 783 and name HB2) 2.722 0.926 0.926 weight 1.000 ! spec=c13n...li-5, no=1742, id=2474, vol=3.233600e+00 assign (segid " " and resid 773 and name HG12) (segid " " and resid 773 and name HG11) 2.463 0.758 0.758 weight 1.000 ! spec=c13n...li-5, no=1744, id=2476, vol=5.887600e+00 assign (segid " " and resid 780 and name HG12) (segid " " and resid 778 and name HE2) 2.863 1.024 1.024 weight 1.000 ! spec=c13n...li-5, no=1745, id=2477, vol=2.389600e+00 assign (segid " " and resid 773 and name HG11) (segid " " and resid 798 and name HD11) 3.086 1.190 1.190 weight 1.000 ! spec=c13n...li-5, no=1747, id=2479, vol=1.523100e+00 assign (segid " " and resid 772 and name HB2) (segid " " and resid 750 and name HB1) 2.673 0.893 0.893 weight 1.000 ! spec=c13n...li-5, no=1749, id=2481, vol=3.605600e+00 assign (segid " " and resid 742 and name HG1) (segid " " and resid 742 and name HG2) 2.308 0.666 0.666 weight 1.000 ! spec=c13n...li-5, no=1752, id=2484, vol=8.709600e+00 assign (segid " " and resid 772 and name HB1) (segid " " and resid 774 and name HE2) 3.068 1.177 1.177 weight 1.000 ! spec=c13n...li-5, no=1755, id=2487, vol=1.577600e+00 assign (segid " " and resid 742 and name HD2) (segid " " and resid 742 and name HG2) 2.749 0.944 0.944 weight 1.000 ! spec=c13n...li-5, no=1757, id=2489, vol=3.049400e+00 assign (segid " " and resid 742 and name HG2) (segid " " and resid 742 and name HD1) 2.732 0.933 0.933 weight 1.000 ! spec=c13n...li-5, no=1758, id=2490, vol=3.165300e+00 assign (segid " " and resid 742 and name HB2) (segid " " and resid 742 and name HG2) 2.495 0.778 0.778 weight 1.000 ! spec=c13n...li-5, no=1759, id=2491, vol=5.454800e+00 assign (segid " " and resid 742 and name HG2) (segid " " and resid 779 and name HG11) 3.016 1.137 1.137 weight 1.000 ! spec=c13n...li-5, no=1761, id=2492, vol=1.746400e+00 assign (segid " " and resid 819 and name HG2) (segid " " and resid 819 and name HA) 3.022 1.142 1.142 weight 1.000 ! spec=c13n...li-5, no=1763, id=2493, vol=1.726300e+00 assign (segid " " and resid 819 and name HA) (segid " " and resid 819 and name HG1) 2.951 1.088 1.088 weight 1.000 ! spec=c13n...li-5, no=1764, id=2494, vol=1.993300e+00 assign (segid " " and resid 753 and name HB1) (segid " " and resid 753 and name HG) 2.614 0.854 0.854 weight 1.000 ! spec=c13n...li-5, no=1765, id=2495, vol=4.127000e+00 assign (segid " " and resid 815 and name HG11) (segid " " and resid 815 and name HA) 2.553 0.815 3.447 weight 1.000 ! spec=c13n...li-5, no=1769, id=2499, vol=4.750800e+00 assign (segid " " and resid 815 and name HG11) (segid " " and resid 815 and name HG21) 2.759 0.952 0.952 weight 1.000 ! spec=c13n...li-5, no=1771, id=2501, vol=2.982000e+00 assign (segid " " and resid 733 and name HA) (segid " " and resid 733 and name HG) 2.494 0.777 0.777 weight 1.000 ! spec=c13n...li-5, no=1772, id=2502, vol=5.468200e+00 assign (segid " " and resid 733 and name HG) (segid " " and resid 733 and name HB2) 2.362 0.697 0.697 weight 1.000 ! spec=c13n...li-5, no=1773, id=2503, vol=7.572600e+00 assign (segid " " and resid 792 and name HG12) (segid " " and resid 760 and name HG21) 2.408 0.725 3.592 weight 1.000 ! spec=c13n...li-5, no=1775, id=2505, vol=6.753600e+00 assign (segid " " and resid 792 and name HG12) (segid " " and resid 792 and name HG11) 1.914 0.458 0.458 weight 1.000 ! spec=c13n...li-5, no=1777, id=2507, vol=2.678050e+01 assign (segid " " and resid 745 and name HG) (segid " " and resid 743 and name HG22) 2.724 0.928 0.928 weight 1.000 ! spec=c13n...li-5, no=1779, id=2509, vol=3.217800e+00 or (segid " " and resid 745 and name HG) (segid " " and resid 743 and name HG21) or (segid " " and resid 745 and name HG) (segid " " and resid 743 and name HG23) assign (segid " " and resid 792 and name HB) (segid " " and resid 792 and name HG11) 2.546 0.810 0.810 weight 1.000 ! spec=c13n...li-5, no=1783, id=2510, vol=4.828000e+00 assign (segid " " and resid 792 and name HG11) (segid " " and resid 792 and name HD11) 2.160 0.583 0.583 weight 1.000 ! spec=c13n...li-5, no=1785, id=2512, vol=1.295820e+01 assign (segid " " and resid 815 and name HG12) (segid " " and resid 731 and name HB2) 2.900 1.052 1.052 weight 1.000 ! spec=c13n...li-5, no=1787, id=2514, vol=2.209400e+00 assign (segid " " and resid 815 and name HG12) (segid " " and resid 813 and name HB1) 2.847 1.013 3.153 weight 1.000 ! spec=c13n...li-5, no=1789, id=2516, vol=2.468600e+00 assign (segid " " and resid 808 and name HD11) (segid " " and resid 808 and name HG) 2.426 0.736 0.736 weight 1.000 ! spec=c13n...li-5, no=1793, id=2520, vol=6.446200e+00 assign (segid " " and resid 808 and name HB1) (segid " " and resid 808 and name HD11) 2.509 0.787 0.787 weight 1.000 ! spec=c13n...li-5, no=1794, id=2521, vol=5.275800e+00 assign (segid " " and resid 804 and name HA) (segid " " and resid 804 and name HB2) 2.793 0.975 0.975 weight 1.000 ! spec=c13n...li-5, no=1803, id=2528, vol=2.771300e+00 assign (segid " " and resid 804 and name HA) (segid " " and resid 804 and name HB1) 3.108 1.207 1.207 weight 1.000 ! spec=c13n...li-5, no=1806, id=2529, vol=1.459700e+00 assign (segid " " and resid 772 and name HB2) (segid " " and resid 772 and name HB1) 1.705 0.363 0.363 weight 1.000 ! spec=c13n...li-5, no=1812, id=2533, vol=5.359120e+01 assign (segid " " and resid 819 and name HD1) (segid " " and resid 819 and name HG1) 2.307 0.665 0.665 weight 1.000 ! spec=c13n...li-5, no=1816, id=2535, vol=8.731300e+00 assign (segid " " and resid 815 and name HG12) (segid " " and resid 815 and name HG11) 1.998 0.499 0.499 weight 1.000 ! spec=c13n...li-5, no=1817, id=2536, vol=2.068600e+01 assign (segid " " and resid 735 and name HG) (segid " " and resid 819 and name HA) 2.509 0.787 3.491 weight 1.000 ! spec=c13n...li-5, no=1819, id=2537, vol=5.270000e+00 assign (segid " " and resid 745 and name HG) (segid " " and resid 777 and name HA) 2.855 1.019 1.019 weight 1.000 ! spec=c13n...li-5, no=1821, id=2539, vol=2.426800e+00 assign (segid " " and resid 745 and name HG) (segid " " and resid 744 and name HA) 3.117 1.214 1.214 weight 1.000 ! spec=c13n...li-5, no=1822, id=2540, vol=1.435200e+00 assign (segid " " and resid 745 and name HG) (segid " " and resid 745 and name HB2) 2.460 0.756 0.756 weight 1.000 ! spec=c13n...li-5, no=1823, id=2541, vol=5.940700e+00 assign (segid " " and resid 745 and name HB1) (segid " " and resid 745 and name HG) 2.569 0.825 0.825 weight 1.000 ! spec=c13n...li-5, no=1829, id=2546, vol=4.576800e+00 assign (segid " " and resid 792 and name HG11) (segid " " and resid 814 and name HG1) 2.877 1.035 1.035 weight 1.000 ! spec=c13n...li-5, no=1830, id=2547, vol=2.320500e+00 assign (segid " " and resid 792 and name HG11) (segid " " and resid 760 and name HG21) 2.556 0.817 3.444 weight 1.000 ! spec=c13n...li-5, no=1831, id=2548, vol=4.713700e+00 assign (segid " " and resid 792 and name HG11) (segid " " and resid 814 and name HA) 3.054 1.166 1.166 weight 1.000 ! spec=c13n...li-5, no=1833, id=2550, vol=1.622100e+00 assign (segid " " and resid 721 and name HG1) (segid " " and resid 721 and name HG2) 2.476 0.766 0.766 weight 1.000 ! spec=c13n...li-5, no=1837, id=2552, vol=5.713200e+00 assign (segid " " and resid 725 and name HG) (segid " " and resid 725 and name HA) 2.820 0.994 0.994 weight 1.000 ! spec=c13n...li-5, no=1838, id=2553, vol=2.617900e+00 assign (segid " " and resid 731 and name HA) (segid " " and resid 731 and name HG) 2.404 0.723 0.723 weight 1.000 ! spec=c13n...li-5, no=1839, id=2554, vol=6.808900e+00 assign (segid " " and resid 731 and name HB2) (segid " " and resid 731 and name HG) 2.193 0.601 0.601 weight 1.000 ! spec=c13n...li-5, no=1840, id=2555, vol=1.183490e+01 assign (segid " " and resid 815 and name HA) (segid " " and resid 731 and name HG) 2.719 0.924 0.924 weight 1.000 ! spec=c13n...li-5, no=1842, id=2557, vol=3.252300e+00 assign (segid " " and resid 731 and name HB1) (segid " " and resid 731 and name HG) 2.280 0.650 0.650 weight 1.000 ! spec=c13n...li-5, no=1843, id=2558, vol=9.371900e+00 assign (segid " " and resid 735 and name HG) (segid " " and resid 736 and name HA2) 2.496 0.779 3.504 weight 1.000 ! spec=c13n...li-5, no=1849, id=2564, vol=5.436200e+00 assign (segid " " and resid 735 and name HA) (segid " " and resid 735 and name HG) 2.526 0.797 0.797 weight 1.000 ! spec=c13n...li-5, no=1850, id=2565, vol=5.068400e+00 assign (segid " " and resid 721 and name HG1) (segid " " and resid 721 and name HB2) 2.695 0.908 0.908 weight 1.000 ! spec=c13n...li-5, no=1855, id=2569, vol=3.435100e+00 assign (segid " " and resid 721 and name HG2) (segid " " and resid 806 and name HG12) 2.752 0.947 0.947 weight 1.000 ! spec=c13n...li-5, no=1858, id=2571, vol=3.028100e+00 or (segid " " and resid 721 and name HG2) (segid " " and resid 806 and name HG11) or (segid " " and resid 721 and name HG2) (segid " " and resid 806 and name HG13) assign (segid " " and resid 721 and name HG2) (segid " " and resid 798 and name HG21) 2.802 0.981 3.198 weight 1.000 ! spec=c13n...li-5, no=1859, id=2572, vol=2.719600e+00 assign (segid " " and resid 721 and name HG2) (segid " " and resid 721 and name HB2) 2.867 1.028 1.028 weight 1.000 ! spec=c13n...li-5, no=1860, id=2573, vol=2.367400e+00 assign (segid " " and resid 718 and name HG1) (segid " " and resid 718 and name HA) 2.430 0.738 0.738 weight 1.000 ! spec=c13n...li-5, no=1862, id=2575, vol=6.382500e+00 assign (segid " " and resid 765 and name HB2) (segid " " and resid 765 and name HG1) 2.430 0.738 0.738 weight 1.000 ! spec=c13n...li-5, no=1864, id=2577, vol=6.395600e+00 assign (segid " " and resid 765 and name HG2) (segid " " and resid 758 and name HG11) 2.641 0.872 3.359 weight 1.000 ! spec=c13n...li-5, no=1866, id=2579, vol=3.875400e+00 assign (segid " " and resid 777 and name HA) (segid " " and resid 745 and name HD11) 2.842 1.010 1.010 weight 1.000 ! spec=c13n...li-5, no=1870, id=2582, vol=2.496000e+00 assign (segid " " and resid 745 and name HG) (segid " " and resid 745 and name HD11) 2.455 0.754 0.754 weight 1.000 ! spec=c13n...li-5, no=1872, id=2584, vol=6.000800e+00 assign (segid " " and resid 795 and name HG) (segid " " and resid 795 and name HD11) 2.290 0.655 0.655 weight 1.000 ! spec=c13n...li-5, no=1873, id=2585, vol=9.125200e+00 assign (segid " " and resid 725 and name HD11) (segid " " and resid 780 and name HB) 2.650 0.878 3.350 weight 1.000 ! spec=c13n...li-5, no=1879, id=2590, vol=3.799800e+00 assign (segid " " and resid 725 and name HD11) (segid " " and resid 813 and name HA) 3.014 1.135 1.135 weight 1.000 ! spec=c13n...li-5, no=1880, id=2591, vol=1.755800e+00 assign (segid " " and resid 753 and name HD21) (segid " " and resid 753 and name HA) 2.883 1.039 3.117 weight 1.000 ! spec=c13n...li-5, no=1882, id=2593, vol=2.292000e+00 assign (segid " " and resid 757 and name HG11) (segid " " and resid 793 and name HD11) 2.893 1.046 1.046 weight 1.000 ! spec=c13n...li-5, no=1884, id=2595, vol=2.244600e+00 assign (segid " " and resid 793 and name HG) (segid " " and resid 793 and name HD11) 2.272 0.645 0.645 weight 1.000 ! spec=c13n...li-5, no=1885, id=2596, vol=9.552900e+00 assign (segid " " and resid 793 and name HD11) (segid " " and resid 782 and name HG21) 2.395 0.717 0.717 weight 1.000 ! spec=c13n...li-5, no=1887, id=2598, vol=6.977300e+00 assign (segid " " and resid 793 and name HD11) (segid " " and resid 757 and name HD11) 2.549 0.812 0.812 weight 1.000 ! spec=c13n...li-5, no=1888, id=2599, vol=4.793700e+00 assign (segid " " and resid 793 and name HD11) (segid " " and resid 780 and name HG21) 2.468 0.761 0.761 weight 1.000 ! spec=c13n...li-5, no=1889, id=2600, vol=5.818900e+00 assign (segid " " and resid 793 and name HD11) (segid " " and resid 780 and name HD11) 2.380 0.708 3.620 weight 1.000 ! spec=c13n...li-5, no=1890, id=2601, vol=7.234600e+00 assign (segid " " and resid 745 and name HB2) (segid " " and resid 745 and name HD11) 2.662 0.885 0.885 weight 1.000 ! spec=c13n...li-5, no=1892, id=2602, vol=3.700700e+00 assign (segid " " and resid 725 and name HD11) (segid " " and resid 725 and name HG) 2.343 0.686 0.686 weight 1.000 ! spec=c13n...li-5, no=1898, id=2605, vol=7.941300e+00 assign (segid " " and resid 725 and name HB1) (segid " " and resid 725 and name HD11) 2.347 0.689 3.653 weight 1.000 ! spec=c13n...li-5, no=1899, id=2606, vol=7.865700e+00 assign (segid " " and resid 795 and name HA) (segid " " and resid 795 and name HD11) 3.110 1.209 1.209 weight 1.000 ! spec=c13n...li-5, no=1902, id=2608, vol=1.454100e+00 assign (segid " " and resid 753 and name HD21) (segid " " and resid 770 and name HB) 2.858 1.021 2.542 weight 1.000 ! spec=c13n...li-5, no=1903, id=2609, vol=2.415500e+00 assign (segid " " and resid 753 and name HB2) (segid " " and resid 753 and name HD21) 2.125 0.565 0.565 weight 1.000 ! spec=c13n...li-5, no=1904, id=2610, vol=1.427120e+01 assign (segid " " and resid 753 and name HG) (segid " " and resid 753 and name HD21) 2.156 0.581 0.581 weight 1.000 ! spec=c13n...li-5, no=1905, id=2611, vol=1.311470e+01 assign (segid " " and resid 753 and name HD21) (segid " " and resid 753 and name HB1) 2.482 0.770 0.770 weight 1.000 ! spec=c13n...li-5, no=1906, id=2612, vol=5.620600e+00 assign (segid " " and resid 753 and name HD21) (segid " " and resid 773 and name HG21) 2.615 0.855 3.385 weight 1.000 ! spec=c13n...li-5, no=1909, id=2614, vol=4.111000e+00 assign (segid " " and resid 753 and name HD22) (segid " " and resid 780 and name HD12) 2.406 0.723 3.594 weight 1.000 ! spec=c13n...li-5, no=1910, id=2615, vol=6.789100e+00 or (segid " " and resid 753 and name HD22) (segid " " and resid 780 and name HD11) or (segid " " and resid 753 and name HD22) (segid " " and resid 780 and name HD13) or (segid " " and resid 753 and name HD21) (segid " " and resid 780 and name HD12) or (segid " " and resid 753 and name HD21) (segid " " and resid 780 and name HD11) or (segid " " and resid 753 and name HD21) (segid " " and resid 780 and name HD13) or (segid " " and resid 753 and name HD23) (segid " " and resid 780 and name HD12) or (segid " " and resid 753 and name HD23) (segid " " and resid 780 and name HD11) or (segid " " and resid 753 and name HD23) (segid " " and resid 780 and name HD13) assign (segid " " and resid 793 and name HD11) (segid " " and resid 755 and name HD1) 2.840 1.008 1.008 weight 1.000 ! spec=c13n...li-5, no=1911, id=2616, vol=2.508500e+00 assign (segid " " and resid 733 and name HB2) (segid " " and resid 733 and name HD21) 2.357 0.695 0.695 weight 1.000 ! spec=c13n...li-5, no=1912, id=2617, vol=7.663500e+00 assign (segid " " and resid 795 and name HD11) (segid " " and resid 808 and name HB2) 2.545 0.810 3.455 weight 1.000 ! spec=c13n...li-5, no=1915, id=2619, vol=4.842400e+00 assign (segid " " and resid 733 and name HA) (segid " " and resid 733 and name HD21) 2.662 0.886 3.338 weight 1.000 ! spec=c13n...li-5, no=1917, id=2621, vol=3.697800e+00 assign (segid " " and resid 774 and name HG1) (segid " " and resid 774 and name HG2) 2.031 0.516 0.516 weight 1.000 ! spec=c13n...li-5, no=1920, id=2624, vol=1.875310e+01 assign (segid " " and resid 733 and name HD21) (segid " " and resid 817 and name HA) 2.657 0.882 3.343 weight 1.000 ! spec=c13n...li-5, no=1923, id=2626, vol=3.739900e+00 assign (segid " " and resid 795 and name HD11) (segid " " and resid 795 and name HB1) 2.705 0.915 0.915 weight 1.000 ! spec=c13n...li-5, no=1924, id=2627, vol=3.356200e+00 assign (segid " " and resid 745 and name HA) (segid " " and resid 745 and name HD21) 2.361 0.697 0.697 weight 1.000 ! spec=c13n...li-5, no=1925, id=2628, vol=7.596300e+00 assign (segid " " and resid 750 and name HA) (segid " " and resid 750 and name HG2) 2.724 0.927 0.927 weight 1.000 ! spec=c13n...li-5, no=1931, id=2631, vol=3.220600e+00 assign (segid " " and resid 750 and name HB2) (segid " " and resid 750 and name HG2) 2.417 0.730 0.730 weight 1.000 ! spec=c13n...li-5, no=1934, id=2634, vol=6.596700e+00 assign (segid " " and resid 774 and name HG1) (segid " " and resid 750 and name HB2) 2.946 1.085 1.085 weight 1.000 ! spec=c13n...li-5, no=1937, id=2636, vol=2.010200e+00 assign (segid " " and resid 814 and name HG2) (segid " " and resid 792 and name HD11) 2.853 1.017 1.017 weight 1.000 ! spec=c13n...li-5, no=1943, id=2641, vol=2.440100e+00 assign (segid " " and resid 764 and name HA) (segid " " and resid 764 and name HG2) 2.544 0.809 0.809 weight 1.000 ! spec=c13n...li-5, no=1944, id=2642, vol=4.848300e+00 assign (segid " " and resid 814 and name HG2) (segid " " and resid 814 and name HA) 2.376 0.706 0.706 weight 1.000 ! spec=c13n...li-5, no=1948, id=2646, vol=7.306800e+00 assign (segid " " and resid 766 and name HG2) (segid " " and resid 766 and name HG1) 1.922 0.462 0.462 weight 1.000 ! spec=c13n...li-5, no=1958, id=2656, vol=2.610490e+01 assign (segid " " and resid 733 and name HD21) (segid " " and resid 739 and name HA) 3.123 1.219 1.219 weight 1.000 ! spec=c13n...li-5, no=1959, id=2657, vol=1.418300e+00 assign (segid " " and resid 743 and name HB) (segid " " and resid 745 and name HD21) 2.928 1.071 1.071 weight 1.000 ! spec=c13n...li-5, no=1961, id=2659, vol=2.088400e+00 assign (segid " " and resid 745 and name HD21) (segid " " and resid 780 and name HG11) 2.936 1.078 3.064 weight 1.000 ! spec=c13n...li-5, no=1962, id=2660, vol=2.052400e+00 assign (segid " " and resid 745 and name HG) (segid " " and resid 745 and name HD21) 2.398 0.719 0.719 weight 1.000 ! spec=c13n...li-5, no=1963, id=2661, vol=6.923600e+00 assign (segid " " and resid 745 and name HD21) (segid " " and resid 723 and name HB1) 2.292 0.656 0.656 weight 1.000 ! spec=c13n...li-5, no=1964, id=2662, vol=9.080200e+00 assign (segid " " and resid 745 and name HD22) (segid " " and resid 753 and name HD22) 2.140 0.572 0.572 weight 1.000 ! spec=c13n...li-5, no=1965, id=2663, vol=1.369580e+01 or (segid " " and resid 745 and name HD22) (segid " " and resid 753 and name HD21) or (segid " " and resid 745 and name HD22) (segid " " and resid 753 and name HD23) or (segid " " and resid 745 and name HD21) (segid " " and resid 753 and name HD22) or (segid " " and resid 745 and name HD21) (segid " " and resid 753 and name HD21) or (segid " " and resid 745 and name HD21) (segid " " and resid 753 and name HD23) or (segid " " and resid 745 and name HD23) (segid " " and resid 753 and name HD22) or (segid " " and resid 745 and name HD23) (segid " " and resid 753 and name HD21) or (segid " " and resid 745 and name HD23) (segid " " and resid 753 and name HD23) assign (segid " " and resid 745 and name HD22) (segid " " and resid 773 and name HG22) 2.900 1.051 1.051 weight 1.000 ! spec=c13n...li-5, no=1967, id=2664, vol=2.212200e+00 or (segid " " and resid 745 and name HD22) (segid " " and resid 773 and name HG21) or (segid " " and resid 745 and name HD22) (segid " " and resid 773 and name HG23) or (segid " " and resid 745 and name HD21) (segid " " and resid 773 and name HG22) or (segid " " and resid 745 and name HD21) (segid " " and resid 773 and name HG21) or (segid " " and resid 745 and name HD21) (segid " " and resid 773 and name HG23) or (segid " " and resid 745 and name HD23) (segid " " and resid 773 and name HG22) or (segid " " and resid 745 and name HD23) (segid " " and resid 773 and name HG21) or (segid " " and resid 745 and name HD23) (segid " " and resid 773 and name HG23) assign (segid " " and resid 745 and name HB1) (segid " " and resid 745 and name HD21) 2.637 0.870 0.870 weight 1.000 ! spec=c13n...li-5, no=1968, id=2665, vol=3.907600e+00 assign (segid " " and resid 720 and name HG1) (segid " " and resid 719 and name HG21) 2.596 0.842 3.404 weight 1.000 ! spec=c13n...li-5, no=1969, id=2666, vol=4.301400e+00 assign (segid " " and resid 732 and name HA) (segid " " and resid 732 and name HG1) 2.651 0.878 0.878 weight 1.000 ! spec=c13n...li-5, no=1970, id=2667, vol=3.790800e+00 assign (segid " " and resid 733 and name HD11) (segid " " and resid 731 and name HA) 2.786 0.970 3.214 weight 1.000 ! spec=c13n...li-5, no=1978, id=2672, vol=2.811900e+00 assign (segid " " and resid 735 and name HD11) (segid " " and resid 735 and name HA) 2.689 0.904 3.311 weight 1.000 ! spec=c13n...li-5, no=1980, id=2674, vol=3.478100e+00 assign (segid " " and resid 735 and name HB2) (segid " " and resid 735 and name HD11) 2.552 0.814 0.814 weight 1.000 ! spec=c13n...li-5, no=1981, id=2675, vol=4.758300e+00 assign (segid " " and resid 726 and name HG2) (segid " " and resid 726 and name HB2) 2.277 0.648 0.648 weight 1.000 ! spec=c13n...li-5, no=1982, id=2676, vol=9.434400e+00 assign (segid " " and resid 726 and name HB2) (segid " " and resid 726 and name HG1) 2.187 0.598 0.598 weight 1.000 ! spec=c13n...li-5, no=1984, id=2678, vol=1.203190e+01 assign (segid " " and resid 731 and name HB2) (segid " " and resid 731 and name HD11) 2.383 0.710 0.710 weight 1.000 ! spec=c13n...li-5, no=1985, id=2679, vol=7.177500e+00 assign (segid " " and resid 731 and name HB1) (segid " " and resid 731 and name HD11) 2.289 0.655 0.655 weight 1.000 ! spec=c13n...li-5, no=1986, id=2680, vol=9.136700e+00 assign (segid " " and resid 731 and name HG) (segid " " and resid 731 and name HD11) 2.282 0.651 0.651 weight 1.000 ! spec=c13n...li-5, no=1987, id=2681, vol=9.305400e+00 assign (segid " " and resid 726 and name HA) (segid " " and resid 726 and name HG2) 2.539 0.806 0.806 weight 1.000 ! spec=c13n...li-5, no=1990, id=2684, vol=4.905900e+00 assign (segid " " and resid 793 and name HB2) (segid " " and resid 793 and name HD21) 2.435 0.741 0.741 weight 1.000 ! spec=c13n...li-5, no=2001, id=2694, vol=6.308800e+00 assign (segid " " and resid 793 and name HG) (segid " " and resid 793 and name HD21) 2.279 0.649 0.649 weight 1.000 ! spec=c13n...li-5, no=2002, id=2695, vol=9.385500e+00 assign (segid " " and resid 793 and name HD21) (segid " " and resid 780 and name HD11) 2.423 0.734 3.577 weight 1.000 ! spec=c13n...li-5, no=2004, id=2696, vol=6.507600e+00 assign (segid " " and resid 799 and name HG1) (segid " " and resid 799 and name HA) 2.964 1.098 1.098 weight 1.000 ! spec=c13n...li-5, no=2006, id=2698, vol=1.939400e+00 assign (segid " " and resid 733 and name HD11) (segid " " and resid 737 and name HB2) 3.137 1.230 2.863 weight 1.000 ! spec=c13n...li-5, no=2007, id=2699, vol=1.379900e+00 assign (segid " " and resid 793 and name HB1) (segid " " and resid 793 and name HD21) 2.640 0.871 0.871 weight 1.000 ! spec=c13n...li-5, no=2008, id=2700, vol=3.882800e+00 assign (segid " " and resid 793 and name HD21) (segid " " and resid 813 and name HB1) 2.670 0.891 2.891 weight 1.000 ! spec=c13n...li-5, no=2009, id=2701, vol=3.632300e+00 assign (segid " " and resid 799 and name HG1) (segid " " and resid 799 and name HG2) 2.430 0.738 0.738 weight 1.000 ! spec=c13n...li-5, no=2010, id=2702, vol=6.394600e+00 assign (segid " " and resid 799 and name HG1) (segid " " and resid 752 and name HB) 2.966 1.100 1.100 weight 1.000 ! spec=c13n...li-5, no=2011, id=2703, vol=1.931600e+00 assign (segid " " and resid 799 and name HG1) (segid " " and resid 805 and name HG11) 3.137 1.230 2.863 weight 1.000 ! spec=c13n...li-5, no=2012, id=2704, vol=1.379500e+00 assign (segid " " and resid 799 and name HG2) (segid " " and resid 752 and name HB) 3.101 1.202 1.202 weight 1.000 ! spec=c13n...li-5, no=2014, id=2705, vol=1.478700e+00 assign (segid " " and resid 733 and name HD11) (segid " " and resid 732 and name HA) 3.183 1.266 2.817 weight 1.000 ! spec=c13n...li-5, no=2016, id=2707, vol=1.265000e+00 assign (segid " " and resid 733 and name HD11) (segid " " and resid 733 and name HA) 2.277 0.648 0.648 weight 1.000 ! spec=c13n...li-5, no=2017, id=2708, vol=9.449400e+00 assign (segid " " and resid 737 and name HB1) (segid " " and resid 733 and name HD11) 2.776 0.963 0.963 weight 1.000 ! spec=c13n...li-5, no=2018, id=2709, vol=2.873400e+00 assign (segid " " and resid 733 and name HB2) (segid " " and resid 733 and name HD11) 2.692 0.906 0.906 weight 1.000 ! spec=c13n...li-5, no=2019, id=2710, vol=3.455800e+00 assign (segid " " and resid 735 and name HD21) (segid " " and resid 786 and name HA) 2.654 0.880 2.550 weight 1.000 ! spec=c13n...li-5, no=2020, id=2711, vol=3.764800e+00 assign (segid " " and resid 735 and name HA) (segid " " and resid 735 and name HD21) 2.483 0.770 1.770 weight 1.000 ! spec=c13n...li-5, no=2022, id=2712, vol=5.616500e+00 assign (segid " " and resid 735 and name HB2) (segid " " and resid 735 and name HD21) 2.515 0.790 0.790 weight 1.000 ! spec=c13n...li-5, no=2023, id=2713, vol=5.202900e+00 assign (segid " " and resid 735 and name HG) (segid " " and resid 735 and name HD21) 2.302 0.662 0.662 weight 1.000 ! spec=c13n...li-5, no=2024, id=2714, vol=8.847000e+00 assign (segid " " and resid 723 and name HB1) (segid " " and resid 746 and name HB1) 2.616 0.856 3.384 weight 1.000 ! spec=c13n...li-5, no=2030, id=2719, vol=4.103100e+00 assign (segid " " and resid 725 and name HD21) (segid " " and resid 725 and name HB2) 2.616 0.855 0.855 weight 1.000 ! spec=c13n...li-5, no=2032, id=2721, vol=4.107600e+00 assign (segid " " and resid 725 and name HD21) (segid " " and resid 725 and name HB1) 2.558 0.818 3.442 weight 1.000 ! spec=c13n...li-5, no=2033, id=2722, vol=4.700600e+00 assign (segid " " and resid 725 and name HD11) (segid " " and resid 725 and name HD21) 2.296 0.659 3.704 weight 1.000 ! spec=c13n...li-5, no=2034, id=2723, vol=8.976800e+00 assign (segid " " and resid 808 and name HD11) (segid " " and resid 808 and name HD21) 2.226 0.620 3.774 weight 1.000 ! spec=c13n...li-5, no=2038, id=2727, vol=1.080470e+01 assign (segid " " and resid 731 and name HG) (segid " " and resid 731 and name HD21) 2.291 0.656 0.656 weight 1.000 ! spec=c13n...li-5, no=2040, id=2729, vol=9.091900e+00 assign (segid " " and resid 795 and name HD21) (segid " " and resid 795 and name HG) 2.166 0.587 3.834 weight 1.000 ! spec=c13n...li-5, no=2042, id=2731, vol=1.272380e+01 assign (segid " " and resid 725 and name HD21) (segid " " and resid 780 and name HD11) 2.617 0.856 3.383 weight 1.000 ! spec=c13n...li-5, no=2043, id=2732, vol=4.095600e+00 assign (segid " " and resid 808 and name HD21) (segid " " and resid 808 and name HG) 2.350 0.690 0.690 weight 1.000 ! spec=c13n...li-5, no=2044, id=2733, vol=7.804400e+00 assign (segid " " and resid 808 and name HB2) (segid " " and resid 808 and name HD21) 2.681 0.898 0.898 weight 1.000 ! spec=c13n...li-5, no=2045, id=2734, vol=3.545100e+00 assign (segid " " and resid 808 and name HB1) (segid " " and resid 808 and name HD21) 2.492 0.776 0.776 weight 1.000 ! spec=c13n...li-5, no=2046, id=2735, vol=5.498800e+00 assign (segid " " and resid 743 and name HG21) (segid " " and resid 725 and name HB2) 2.823 0.996 3.177 weight 1.000 ! spec=c13n...li-5, no=2048, id=2736, vol=2.601600e+00 assign (segid " " and resid 753 and name HD11) (segid " " and resid 798 and name HG12) 2.423 0.734 3.577 weight 1.000 ! spec=c13n...li-5, no=2050, id=2738, vol=6.493400e+00 assign (segid " " and resid 753 and name HG) (segid " " and resid 753 and name HD11) 2.211 0.611 0.611 weight 1.000 ! spec=c13n...li-5, no=2051, id=2739, vol=1.126250e+01 assign (segid " " and resid 743 and name HB) (segid " " and resid 743 and name HG21) 2.265 0.641 0.641 weight 1.000 ! spec=c13n...li-5, no=2053, id=2741, vol=9.733400e+00 assign (segid " " and resid 743 and name HG21) (segid " " and resid 723 and name HB1) 2.456 0.754 0.754 weight 1.000 ! spec=c13n...li-5, no=2054, id=2742, vol=5.988400e+00 assign (segid " " and resid 743 and name HG21) (segid " " and resid 745 and name HD21) 2.423 0.734 3.577 weight 1.000 ! spec=c13n...li-5, no=2055, id=2743, vol=6.494900e+00 assign (segid " " and resid 795 and name HD21) (segid " " and resid 755 and name HB2) 2.968 1.101 1.101 weight 1.000 ! spec=c13n...li-5, no=2061, id=2749, vol=1.923400e+00 assign (segid " " and resid 795 and name HD21) (segid " " and resid 795 and name HB2) 2.564 0.821 3.436 weight 1.000 ! spec=c13n...li-5, no=2063, id=2751, vol=4.634400e+00 assign (segid " " and resid 795 and name HD21) (segid " " and resid 753 and name HG) 2.787 0.971 3.213 weight 1.000 ! spec=c13n...li-5, no=2064, id=2752, vol=2.807500e+00 assign (segid " " and resid 723 and name HB1) (segid " " and resid 795 and name HD21) 2.909 1.058 1.058 weight 1.000 ! spec=c13n...li-5, no=2066, id=2754, vol=2.170100e+00 assign (segid " " and resid 795 and name HD21) (segid " " and resid 753 and name HD11) 2.593 0.841 3.407 weight 1.000 ! spec=c13n...li-5, no=2067, id=2755, vol=4.324700e+00 assign (segid " " and resid 795 and name HD21) (segid " " and resid 780 and name HD11) 2.401 0.721 3.599 weight 1.000 ! spec=c13n...li-5, no=2068, id=2756, vol=6.859600e+00 assign (segid " " and resid 736 and name HA2) (segid " " and resid 786 and name HG21) 2.402 0.721 3.598 weight 1.000 ! spec=c13n...li-5, no=2071, id=2758, vol=6.846900e+00 assign (segid " " and resid 786 and name HG21) (segid " " and resid 784 and name HG21) 2.300 0.661 0.661 weight 1.000 ! spec=c13n...li-5, no=2076, id=2762, vol=8.895700e+00 assign (segid " " and resid 743 and name HG11) (segid " " and resid 780 and name HD11) 2.318 0.672 0.672 weight 1.000 ! spec=c13n...li-5, no=2085, id=2770, vol=8.473500e+00 assign (segid " " and resid 741 and name HG11) (segid " " and resid 813 and name HB1) 2.664 0.887 3.336 weight 1.000 ! spec=c13n...li-5, no=2086, id=2771, vol=3.679400e+00 assign (segid " " and resid 802 and name HB) (segid " " and resid 802 and name HG21) 1.841 0.424 4.159 weight 1.000 ! spec=c13n...li-5, no=2089, id=2773, vol=3.375300e+01 assign (segid " " and resid 787 and name HG21) (segid " " and resid 819 and name HD2) 2.902 1.053 1.053 weight 1.000 ! spec=c13n...li-5, no=2090, id=2774, vol=2.201600e+00 or (segid " " and resid 787 and name HG21) (segid " " and resid 819 and name HD1) or (segid " " and resid 787 and name HG22) (segid " " and resid 819 and name HD2) or (segid " " and resid 787 and name HG22) (segid " " and resid 819 and name HD1) or (segid " " and resid 787 and name HG23) (segid " " and resid 819 and name HD2) or (segid " " and resid 787 and name HG23) (segid " " and resid 819 and name HD1) assign (segid " " and resid 760 and name HG21) (segid " " and resid 759 and name HA) 2.615 0.855 3.385 weight 1.000 ! spec=c13n...li-5, no=2095, id=2778, vol=4.112700e+00 assign (segid " " and resid 760 and name HG21) (segid " " and resid 792 and name HD11) 2.015 0.507 0.507 weight 1.000 ! spec=c13n...li-5, no=2098, id=2780, vol=1.966370e+01 assign (segid " " and resid 784 and name HB) (segid " " and resid 786 and name HG21) 2.689 0.904 3.311 weight 1.000 ! spec=c13n...li-5, no=2099, id=2781, vol=3.476800e+00 assign (segid " " and resid 817 and name HG21) (segid " " and resid 816 and name HE22) 2.976 1.107 2.300 weight 1.000 ! spec=c13n...li-5, no=2106, id=2788, vol=1.895100e+00 assign (segid " " and resid 775 and name HA) (segid " " and resid 775 and name HG21) 1.844 0.425 4.156 weight 1.000 ! spec=c13n...li-5, no=2108, id=2790, vol=3.346180e+01 assign (segid " " and resid 787 and name HB) (segid " " and resid 787 and name HG21) 1.821 0.414 4.179 weight 1.000 ! spec=c13n...li-5, no=2113, id=2795, vol=3.610510e+01 assign (segid " " and resid 741 and name HB) (segid " " and resid 741 and name HG11) 2.252 0.634 3.748 weight 1.000 ! spec=c13n...li-5, no=2116, id=2796, vol=1.008310e+01 assign (segid " " and resid 779 and name HG21) (segid " " and resid 742 and name HG2) 3.151 1.241 1.241 weight 1.000 ! spec=c13n...li-5, no=2121, id=2801, vol=1.344800e+00 assign (segid " " and resid 779 and name HB) (segid " " and resid 779 and name HG21) 2.072 0.537 0.537 weight 1.000 ! spec=c13n...li-5, no=2122, id=2802, vol=1.661490e+01 assign (segid " " and resid 733 and name HB1) (segid " " and resid 817 and name HG21) 2.738 0.937 0.937 weight 1.000 ! spec=c13n...li-5, no=2130, id=2809, vol=3.121700e+00 assign (segid " " and resid 769 and name HG1) (segid " " and resid 752 and name HG21) 2.196 0.603 0.603 weight 1.000 ! spec=c13n...li-5, no=2138, id=2816, vol=1.172670e+01 assign (segid " " and resid 796 and name HB) (segid " " and resid 796 and name HG11) 2.088 0.545 3.912 weight 1.000 ! spec=c13n...li-5, no=2143, id=2820, vol=1.585710e+01 assign (segid " " and resid 805 and name HG11) (segid " " and resid 805 and name HA) 2.449 0.750 0.750 weight 1.000 ! spec=c13n...li-5, no=2146, id=2823, vol=6.093700e+00 assign (segid " " and resid 784 and name HB) (segid " " and resid 784 and name HG11) 2.172 0.590 3.828 weight 1.000 ! spec=c13n...li-5, no=2149, id=2826, vol=1.253900e+01 assign (segid " " and resid 735 and name HA) (segid " " and resid 817 and name HG11) 2.307 0.666 3.000 weight 1.000 ! spec=c13n...li-5, no=2153, id=2828, vol=8.716100e+00 assign (segid " " and resid 817 and name HB) (segid " " and resid 817 and name HG11) 2.384 0.711 0.711 weight 1.000 ! spec=c13n...li-5, no=2154, id=2829, vol=7.158600e+00 assign (segid " " and resid 817 and name HG11) (segid " " and resid 733 and name HB1) 2.545 0.810 0.810 weight 1.000 ! spec=c13n...li-5, no=2155, id=2830, vol=4.840400e+00 assign (segid " " and resid 786 and name HA) (segid " " and resid 784 and name HG21) 2.533 0.802 3.467 weight 1.000 ! spec=c13n...li-5, no=2156, id=2831, vol=4.974200e+00 assign (segid " " and resid 784 and name HA) (segid " " and resid 784 and name HG21) 2.272 0.645 0.645 weight 1.000 ! spec=c13n...li-5, no=2157, id=2832, vol=9.562200e+00 assign (segid " " and resid 784 and name HG21) (segid " " and resid 736 and name HA1) 2.481 0.769 2.919 weight 1.000 ! spec=c13n...li-5, no=2158, id=2833, vol=5.641100e+00 assign (segid " " and resid 784 and name HG21) (segid " " and resid 784 and name HG11) 2.218 0.615 3.782 weight 1.000 ! spec=c13n...li-5, no=2160, id=2835, vol=1.105460e+01 assign (segid " " and resid 817 and name HG21) (segid " " and resid 817 and name HG11) 2.208 0.610 3.792 weight 1.000 ! spec=c13n...li-5, no=2162, id=2836, vol=1.134080e+01 assign (segid " " and resid 784 and name HB) (segid " " and resid 784 and name HG21) 2.095 0.548 3.905 weight 1.000 ! spec=c13n...li-5, no=2163, id=2837, vol=1.557450e+01 assign (segid " " and resid 779 and name HG21) (segid " " and resid 779 and name HG11) 2.065 0.533 3.935 weight 1.000 ! spec=c13n...li-5, no=2164, id=2838, vol=1.695150e+01 assign (segid " " and resid 793 and name HB2) (segid " " and resid 813 and name HB1) 2.275 0.647 0.647 weight 1.000 ! spec=c13n...li-5, no=2166, id=2840, vol=9.479500e+00 assign (segid " " and resid 805 and name HB) (segid " " and resid 805 and name HG11) 1.968 0.484 0.484 weight 1.000 ! spec=c13n...li-5, no=2172, id=2846, vol=2.266600e+01 assign (segid " " and resid 806 and name HG21) (segid " " and resid 721 and name HD1) 2.917 1.064 1.064 weight 1.000 ! spec=c13n...li-5, no=2173, id=2847, vol=2.133200e+00 assign (segid " " and resid 741 and name HG21) (segid " " and resid 780 and name HB) 2.017 0.508 1.508 weight 1.000 ! spec=c13n...li-5, no=2176, id=2849, vol=1.954320e+01 assign (segid " " and resid 744 and name HB1) (segid " " and resid 726 and name HE2) 2.268 0.643 0.643 weight 1.000 ! spec=c13n...li-5, no=2178, id=2851, vol=9.669800e+00 assign (segid " " and resid 744 and name HB1) (segid " " and resid 726 and name HD1) 2.285 0.653 3.715 weight 1.000 ! spec=c13n...li-5, no=2179, id=2852, vol=9.245600e+00 assign (segid " " and resid 754 and name HG21) (segid " " and resid 767 and name HB) 2.701 0.912 3.299 weight 1.000 ! spec=c13n...li-5, no=2180, id=2853, vol=3.387400e+00 assign (segid " " and resid 796 and name HG21) (segid " " and resid 755 and name HA) 2.841 1.009 1.009 weight 1.000 ! spec=c13n...li-5, no=2182, id=2855, vol=2.503300e+00 assign (segid " " and resid 754 and name HG21) (segid " " and resid 755 and name HD1) 2.666 0.889 3.334 weight 1.000 ! spec=c13n...li-5, no=2183, id=2856, vol=3.659700e+00 assign (segid " " and resid 754 and name HG21) (segid " " and resid 795 and name HA) 2.217 0.614 3.783 weight 1.000 ! spec=c13n...li-5, no=2184, id=2857, vol=1.108740e+01 or (segid " " and resid 754 and name HG22) (segid " " and resid 795 and name HA) or (segid " " and resid 754 and name HG23) (segid " " and resid 795 and name HA) assign (segid " " and resid 754 and name HG21) (segid " " and resid 771 and name HE2) 2.818 0.993 3.182 weight 1.000 ! spec=c13n...li-5, no=2185, id=2858, vol=2.626900e+00 or (segid " " and resid 754 and name HG21) (segid " " and resid 771 and name HE1) or (segid " " and resid 754 and name HG22) (segid " " and resid 771 and name HE2) or (segid " " and resid 754 and name HG22) (segid " " and resid 771 and name HE1) or (segid " " and resid 754 and name HG23) (segid " " and resid 771 and name HE2) or (segid " " and resid 754 and name HG23) (segid " " and resid 771 and name HE1) assign (segid " " and resid 796 and name HG21) (segid " " and resid 797 and name HB2) 3.008 1.131 2.992 weight 1.000 ! spec=c13n...li-5, no=2187, id=2860, vol=1.776900e+00 assign (segid " " and resid 741 and name HB) (segid " " and resid 741 and name HG21) 2.107 0.555 3.893 weight 1.000 ! spec=c13n...li-5, no=2193, id=2866, vol=1.501380e+01 assign (segid " " and resid 741 and name HG21) (segid " " and resid 782 and name HG21) 2.532 0.801 1.801 weight 1.000 ! spec=c13n...li-5, no=2194, id=2867, vol=4.993400e+00 assign (segid " " and resid 741 and name HG21) (segid " " and resid 741 and name HG11) 2.167 0.587 3.833 weight 1.000 ! spec=c13n...li-5, no=2195, id=2868, vol=1.270550e+01 assign (segid " " and resid 773 and name HD11) (segid " " and resid 775 and name HA) 3.162 1.250 1.250 weight 1.000 ! spec=c13n...li-5, no=2196, id=2869, vol=1.316400e+00 assign (segid " " and resid 773 and name HD11) (segid " " and resid 778 and name HB2) 2.971 1.104 1.104 weight 1.000 ! spec=c13n...li-5, no=2197, id=2870, vol=1.911200e+00 assign (segid " " and resid 773 and name HD11) (segid " " and resid 745 and name HD11) 2.621 0.859 0.859 weight 1.000 ! spec=c13n...li-5, no=2198, id=2871, vol=4.056200e+00 assign (segid " " and resid 773 and name HG11) (segid " " and resid 773 and name HD11) 2.831 1.002 1.002 weight 1.000 ! spec=c13n...li-5, no=2199, id=2872, vol=2.557000e+00 assign (segid " " and resid 773 and name HB) (segid " " and resid 773 and name HD11) 2.400 0.720 0.720 weight 1.000 ! spec=c13n...li-5, no=2202, id=2875, vol=6.890300e+00 assign (segid " " and resid 773 and name HD11) (segid " " and resid 775 and name HG21) 2.684 0.900 3.316 weight 1.000 ! spec=c13n...li-5, no=2203, id=2876, vol=3.518300e+00 assign (segid " " and resid 773 and name HD11) (segid " " and resid 773 and name HG21) 2.342 0.686 3.658 weight 1.000 ! spec=c13n...li-5, no=2205, id=2877, vol=7.968800e+00 assign (segid " " and resid 757 and name HA) (segid " " and resid 757 and name HG21) 2.471 0.763 0.763 weight 1.000 ! spec=c13n...li-5, no=2206, id=2878, vol=5.774400e+00 assign (segid " " and resid 792 and name HA) (segid " " and resid 792 and name HG21) 2.472 0.764 0.764 weight 1.000 ! spec=c13n...li-5, no=2209, id=2881, vol=5.760500e+00 assign (segid " " and resid 792 and name HG21) (segid " " and resid 814 and name HA) 2.945 1.084 3.055 weight 1.000 ! spec=c13n...li-5, no=2210, id=2882, vol=2.014700e+00 assign (segid " " and resid 792 and name HG21) (segid " " and resid 792 and name HB) 2.306 0.665 0.665 weight 1.000 ! spec=c13n...li-5, no=2214, id=2886, vol=8.753200e+00 assign (segid " " and resid 792 and name HG21) (segid " " and resid 792 and name HG12) 2.653 0.880 0.880 weight 1.000 ! spec=c13n...li-5, no=2215, id=2887, vol=3.771500e+00 assign (segid " " and resid 731 and name HB2) (segid " " and resid 815 and name HG21) 2.832 1.002 1.002 weight 1.000 ! spec=c13n...li-5, no=2218, id=2889, vol=2.551200e+00 assign (segid " " and resid 815 and name HG12) (segid " " and resid 815 and name HG21) 2.473 0.764 0.764 weight 1.000 ! spec=c13n...li-5, no=2220, id=2891, vol=5.749900e+00 assign (segid " " and resid 815 and name HG21) (segid " " and resid 815 and name HD11) 2.242 0.628 3.758 weight 1.000 ! spec=c13n...li-5, no=2221, id=2892, vol=1.035350e+01 assign (segid " " and resid 815 and name HG21) (segid " " and resid 733 and name HD21) 2.467 0.761 0.761 weight 1.000 ! spec=c13n...li-5, no=2222, id=2893, vol=5.830300e+00 assign (segid " " and resid 757 and name HG12) (segid " " and resid 757 and name HG21) 2.553 0.815 0.815 weight 1.000 ! spec=c13n...li-5, no=2224, id=2894, vol=4.750300e+00 assign (segid " " and resid 757 and name HG21) (segid " " and resid 791 and name HD1) 2.783 0.968 3.217 weight 1.000 ! spec=c13n...li-5, no=2225, id=2895, vol=2.830800e+00 assign (segid " " and resid 757 and name HB) (segid " " and resid 757 and name HG21) 2.285 0.653 0.653 weight 1.000 ! spec=c13n...li-5, no=2226, id=2896, vol=9.245900e+00 assign (segid " " and resid 757 and name HG11) (segid " " and resid 757 and name HG21) 2.581 0.832 0.832 weight 1.000 ! spec=c13n...li-5, no=2227, id=2897, vol=4.454200e+00 assign (segid " " and resid 757 and name HG21) (segid " " and resid 757 and name HD11) 2.281 0.650 3.719 weight 1.000 ! spec=c13n...li-5, no=2230, id=2899, vol=9.344900e+00 assign (segid " " and resid 758 and name HB) (segid " " and resid 758 and name HD11) 2.359 0.696 0.696 weight 1.000 ! spec=c13n...li-5, no=2233, id=2902, vol=7.631500e+00 assign (segid " " and resid 758 and name HD11) (segid " " and resid 759 and name HA) 2.704 0.914 3.296 weight 1.000 ! spec=c13n...li-5, no=2235, id=2903, vol=3.361800e+00 assign (segid " " and resid 758 and name HD11) (segid " " and resid 760 and name HG21) 2.786 0.970 0.970 weight 1.000 ! spec=c13n...li-5, no=2236, id=2904, vol=2.812200e+00 assign (segid " " and resid 770 and name HG21) (segid " " and resid 770 and name HD11) 2.220 0.616 3.780 weight 1.000 ! spec=c13n...li-5, no=2243, id=2911, vol=1.097730e+01 assign (segid " " and resid 770 and name HG21) (segid " " and resid 755 and name HE2) 3.015 1.136 2.985 weight 1.000 ! spec=c13n...li-5, no=2245, id=2913, vol=1.751900e+00 assign (segid " " and resid 758 and name HG12) (segid " " and resid 758 and name HD11) 2.746 0.942 0.942 weight 1.000 ! spec=c13n...li-5, no=2246, id=2914, vol=3.069500e+00 assign (segid " " and resid 758 and name HG11) (segid " " and resid 758 and name HD11) 2.079 0.540 3.921 weight 1.000 ! spec=c13n...li-5, no=2247, id=2915, vol=1.627860e+01 assign (segid " " and resid 798 and name HD12) (segid " " and resid 722 and name HA) 2.583 0.834 0.834 weight 1.000 ! spec=c13n...li-5, no=2250, id=2917, vol=4.431900e+00 or (segid " " and resid 722 and name HA) (segid " " and resid 798 and name HD11) or (segid " " and resid 798 and name HD13) (segid " " and resid 722 and name HA) assign (segid " " and resid 798 and name HA) (segid " " and resid 798 and name HG21) 2.421 0.732 3.579 weight 1.000 ! spec=c13n...li-5, no=2253, id=2920, vol=6.540400e+00 assign (segid " " and resid 798 and name HG21) (segid " " and resid 751 and name HB2) 2.995 1.121 1.121 weight 1.000 ! spec=c13n...li-5, no=2255, id=2922, vol=1.821400e+00 assign (segid " " and resid 798 and name HG12) (segid " " and resid 798 and name HD11) 2.239 0.626 0.626 weight 1.000 ! spec=c13n...li-5, no=2257, id=2924, vol=1.045400e+01 assign (segid " " and resid 798 and name HG21) (segid " " and resid 805 and name HA) 2.998 1.124 1.124 weight 1.000 ! spec=c13n...li-5, no=2258, id=2925, vol=1.810900e+00 assign (segid " " and resid 780 and name HG21) (segid " " and resid 778 and name HE2) 3.020 1.140 2.980 weight 1.000 ! spec=c13n...li-5, no=2259, id=2926, vol=1.734200e+00 assign (segid " " and resid 780 and name HA) (segid " " and resid 780 and name HG21) 2.578 0.831 3.422 weight 1.000 ! spec=c13n...li-5, no=2261, id=2928, vol=4.478200e+00 assign (segid " " and resid 780 and name HB) (segid " " and resid 780 and name HG21) 2.244 0.629 0.629 weight 1.000 ! spec=c13n...li-5, no=2262, id=2929, vol=1.031520e+01 assign (segid " " and resid 758 and name HG21) (segid " " and resid 758 and name HD11) 2.114 0.559 3.886 weight 1.000 ! spec=c13n...li-5, no=2264, id=2931, vol=1.474570e+01 assign (segid " " and resid 758 and name HG21) (segid " " and resid 756 and name HB2) 2.976 1.107 1.107 weight 1.000 ! spec=c13n...li-5, no=2268, id=2935, vol=1.892900e+00 assign (segid " " and resid 758 and name HG21) (segid " " and resid 756 and name HB1) 2.936 1.078 1.078 weight 1.000 ! spec=c13n...li-5, no=2269, id=2936, vol=2.051500e+00 assign (segid " " and resid 758 and name HB) (segid " " and resid 758 and name HG21) 2.203 0.607 0.607 weight 1.000 ! spec=c13n...li-5, no=2270, id=2937, vol=1.149210e+01 assign (segid " " and resid 758 and name HG21) (segid " " and resid 758 and name HG12) 2.159 0.583 3.841 weight 1.000 ! spec=c13n...li-5, no=2271, id=2938, vol=1.297680e+01 assign (segid " " and resid 780 and name HG12) (segid " " and resid 780 and name HG21) 2.377 0.706 3.623 weight 1.000 ! spec=c13n...li-5, no=2273, id=2939, vol=7.294900e+00 assign (segid " " and resid 780 and name HG21) (segid " " and resid 755 and name HE1) 3.064 1.173 1.173 weight 1.000 ! spec=c13n...li-5, no=2276, id=2941, vol=1.589900e+00 assign (segid " " and resid 773 and name HB) (segid " " and resid 773 and name HG21) 2.228 0.620 3.772 weight 1.000 ! spec=c13n...li-5, no=2280, id=2945, vol=1.075680e+01 assign (segid " " and resid 773 and name HG12) (segid " " and resid 773 and name HG21) 2.364 0.698 0.698 weight 1.000 ! spec=c13n...li-5, no=2281, id=2946, vol=7.538400e+00 assign (segid " " and resid 753 and name HB1) (segid " " and resid 773 and name HG21) 2.173 0.591 0.591 weight 1.000 ! spec=c13n...li-5, no=2282, id=2947, vol=1.247700e+01 assign (segid " " and resid 770 and name HG21) (segid " " and resid 773 and name HG21) 2.339 0.684 3.661 weight 1.000 ! spec=c13n...li-5, no=2283, id=2948, vol=8.029100e+00 assign (segid " " and resid 773 and name HG11) (segid " " and resid 773 and name HG21) 2.291 0.656 0.656 weight 1.000 ! spec=c13n...li-5, no=2284, id=2949, vol=9.085700e+00 assign (segid " " and resid 815 and name HD11) (segid " " and resid 731 and name HB2) 2.980 1.110 3.020 weight 1.000 ! spec=c13n...li-5, no=2285, id=2950, vol=1.877700e+00 assign (segid " " and resid 815 and name HD11) (segid " " and resid 791 and name HD1) 2.754 0.948 3.246 weight 1.000 ! spec=c13n...li-5, no=2286, id=2951, vol=3.012600e+00 assign (segid " " and resid 815 and name HD11) (segid " " and resid 793 and name HB2) 2.672 0.893 0.893 weight 1.000 ! spec=c13n...li-5, no=2289, id=2954, vol=3.612800e+00 assign (segid " " and resid 815 and name HD11) (segid " " and resid 814 and name HB1) 2.935 1.077 3.065 weight 1.000 ! spec=c13n...li-5, no=2290, id=2955, vol=2.058200e+00 assign (segid " " and resid 815 and name HG11) (segid " " and resid 815 and name HD11) 2.080 0.541 3.920 weight 1.000 ! spec=c13n...li-5, no=2291, id=2956, vol=1.624940e+01 assign (segid " " and resid 793 and name HB1) (segid " " and resid 815 and name HD11) 2.495 0.778 0.778 weight 1.000 ! spec=c13n...li-5, no=2292, id=2957, vol=5.455500e+00 assign (segid " " and resid 815 and name HG12) (segid " " and resid 815 and name HD11) 2.136 0.571 0.571 weight 1.000 ! spec=c13n...li-5, no=2293, id=2958, vol=1.383500e+01 assign (segid " " and resid 815 and name HD11) (segid " " and resid 813 and name HB1) 2.674 0.894 0.894 weight 1.000 ! spec=c13n...li-5, no=2296, id=2960, vol=3.600200e+00 assign (segid " " and resid 780 and name HD11) (segid " " and resid 778 and name HE2) 3.037 1.153 2.963 weight 1.000 ! spec=c13n...li-5, no=2297, id=2961, vol=1.676500e+00 assign (segid " " and resid 780 and name HB) (segid " " and resid 780 and name HD11) 2.111 0.557 0.557 weight 1.000 ! spec=c13n...li-5, no=2300, id=2964, vol=1.485370e+01 assign (segid " " and resid 780 and name HD11) (segid " " and resid 741 and name HG11) 2.306 0.665 3.694 weight 1.000 ! spec=c13n...li-5, no=2302, id=2966, vol=8.746900e+00 assign (segid " " and resid 780 and name HG12) (segid " " and resid 780 and name HD11) 2.283 0.652 0.652 weight 1.000 ! spec=c13n...li-5, no=2304, id=2968, vol=9.283000e+00 assign (segid " " and resid 780 and name HG21) (segid " " and resid 780 and name HD11) 2.192 0.601 0.601 weight 1.000 ! spec=c13n...li-5, no=2305, id=2969, vol=1.185540e+01 assign (segid " " and resid 741 and name HB) (segid " " and resid 780 and name HD11) 2.600 0.845 3.400 weight 1.000 ! spec=c13n...li-5, no=2307, id=2970, vol=4.262900e+00 assign (segid " " and resid 780 and name HD11) (segid " " and resid 782 and name HG21) 3.052 1.164 2.948 weight 1.000 ! spec=c13n...li-5, no=2308, id=2971, vol=1.628700e+00 assign (segid " " and resid 757 and name HD11) (segid " " and resid 755 and name HD2) 2.823 0.996 3.177 weight 1.000 ! spec=c13n...li-5, no=2309, id=2972, vol=2.597300e+00 assign (segid " " and resid 757 and name HD11) (segid " " and resid 755 and name HE1) 2.885 1.040 1.040 weight 1.000 ! spec=c13n...li-5, no=2310, id=2973, vol=2.280700e+00 assign (segid " " and resid 757 and name HD11) (segid " " and resid 782 and name HG21) 2.530 0.800 3.470 weight 1.000 ! spec=c13n...li-5, no=2317, id=2980, vol=5.020500e+00 assign (segid " " and resid 757 and name HD11) (segid " " and resid 755 and name HD1) 2.843 1.010 1.010 weight 1.000 ! spec=c13n...li-5, no=2320, id=2982, vol=2.492500e+00 assign (segid " " and resid 792 and name HA) (segid " " and resid 792 and name HD11) 2.663 0.887 3.337 weight 1.000 ! spec=c13n...li-5, no=2327, id=2989, vol=3.685000e+00 assign (segid " " and resid 792 and name HD11) (segid " " and resid 814 and name HA) 2.821 0.995 3.179 weight 1.000 ! spec=c13n...li-5, no=2328, id=2990, vol=2.610300e+00 assign (segid " " and resid 792 and name HG12) (segid " " and resid 792 and name HD11) 2.241 0.628 3.759 weight 1.000 ! spec=c13n...li-5, no=2331, id=2993, vol=1.037550e+01 assign (segid " " and resid 770 and name HD11) (segid " " and resid 755 and name HE2) 3.164 1.251 1.251 weight 1.000 ! spec=c13n...li-5, no=2333, id=2994, vol=1.311900e+00 assign (segid " " and resid 770 and name HD11) (segid " " and resid 755 and name HD2) 3.089 1.193 1.193 weight 1.000 ! spec=c13n...li-5, no=2334, id=2995, vol=1.513800e+00 assign (segid " " and resid 756 and name HA) (segid " " and resid 755 and name HB2) 3.216 1.293 2.784 weight 1.000 ! spec=c13n...li-5, no=2341, id=3001, vol=1.188600e+00 assign (segid " " and resid 773 and name HA) (segid " " and resid 772 and name HB1) 3.199 1.279 1.279 weight 1.000 ! spec=c13n...li-5, no=2349, id=3006, vol=1.226600e+00 assign (segid " " and resid 757 and name HD11) (segid " " and resid 782 and name HA) 2.497 0.780 3.503 weight 1.000 ! spec=c13n...li-5, no=2351, id=3007, vol=5.424000e+00 assign (segid " " and resid 805 and name HA) (segid " " and resid 799 and name HB2) 2.795 0.976 3.205 weight 1.000 ! spec=c13n...li-5, no=2352, id=3008, vol=2.760900e+00 assign (segid " " and resid 741 and name HA) (segid " " and resid 742 and name HB2) 3.221 1.297 2.779 weight 1.000 ! spec=c13n...li-5, no=2354, id=3010, vol=1.178400e+00 assign (segid " " and resid 798 and name HA) (segid " " and resid 753 and name HB2) 2.725 0.928 3.275 weight 1.000 ! spec=c13n...li-5, no=2355, id=3011, vol=3.211200e+00 assign (segid " " and resid 798 and name HA) (segid " " and resid 753 and name HB1) 2.622 0.860 3.378 weight 1.000 ! spec=c13n...li-5, no=2356, id=3012, vol=4.044400e+00 assign (segid " " and resid 724 and name HA) (segid " " and resid 810 and name HG2) 2.615 0.855 2.600 weight 1.000 ! spec=c13n...li-5, no=2357, id=3013, vol=4.115100e+00 assign (segid " " and resid 718 and name HA) (segid " " and resid 719 and name HG11) 2.662 0.886 3.338 weight 1.000 ! spec=c13n...li-5, no=2358, id=3014, vol=3.692500e+00 assign (segid " " and resid 726 and name HA) (segid " " and resid 726 and name HB2) 1.975 0.488 0.488 weight 1.000 ! spec=c13n...li-5, no=2359, id=3015, vol=2.213990e+01 assign (segid " " and resid 744 and name HB1) (segid " " and resid 777 and name HA) 2.391 0.715 0.715 weight 1.000 ! spec=c13n...li-5, no=2360, id=3016, vol=7.041900e+00 assign (segid " " and resid 766 and name HG2) (segid " " and resid 766 and name HA) 2.289 0.655 3.711 weight 1.000 ! spec=c13n...li-5, no=2361, id=3017, vol=9.146700e+00 assign (segid " " and resid 720 and name HA) (segid " " and resid 721 and name HG2) 2.557 0.817 3.443 weight 1.000 ! spec=c13n...li-5, no=2363, id=3019, vol=4.706500e+00 assign (segid " " and resid 808 and name HA) (segid " " and resid 808 and name HG) 2.439 0.744 0.744 weight 1.000 ! spec=c13n...li-5, no=2364, id=3020, vol=6.250600e+00 assign (segid " " and resid 748 and name HB2) (segid " " and resid 748 and name HA) 1.922 0.462 0.462 weight 1.000 ! spec=c13n...li-5, no=2365, id=3021, vol=2.608160e+01 assign (segid " " and resid 720 and name HG1) (segid " " and resid 720 and name HA) 2.318 0.672 3.682 weight 1.000 ! spec=c13n...li-5, no=2366, id=3022, vol=8.474800e+00 assign (segid " " and resid 730 and name HA) (segid " " and resid 815 and name HD11) 2.673 0.893 3.327 weight 1.000 ! spec=c13n...li-5, no=2368, id=3024, vol=3.607800e+00 assign (segid " " and resid 799 and name HB2) (segid " " and resid 799 and name HA) 2.461 0.757 0.757 weight 1.000 ! spec=c13n...li-5, no=2370, id=3026, vol=5.914900e+00 assign (segid " " and resid 799 and name HD1) (segid " " and resid 799 and name HA) 2.642 0.873 3.358 weight 1.000 ! spec=c13n...li-5, no=2371, id=3027, vol=3.867600e+00 assign (segid " " and resid 753 and name HG) (segid " " and resid 753 and name HA) 2.345 0.688 3.655 weight 1.000 ! spec=c13n...li-5, no=2372, id=3028, vol=7.901800e+00 assign (segid " " and resid 753 and name HA) (segid " " and resid 798 and name HG12) 2.691 0.905 0.905 weight 1.000 ! spec=c13n...li-5, no=2373, id=3029, vol=3.460500e+00 assign (segid " " and resid 792 and name HG21) (segid " " and resid 812 and name HA) 2.829 1.000 3.171 weight 1.000 ! spec=c13n...li-5, no=2374, id=3030, vol=2.565400e+00 assign (segid " " and resid 812 and name HA) (segid " " and resid 793 and name HG) 3.142 1.234 2.858 weight 1.000 ! spec=c13n...li-5, no=2375, id=3031, vol=1.368200e+00 assign (segid " " and resid 742 and name HD2) (segid " " and resid 727 and name HB1) 3.203 1.282 1.282 weight 1.000 ! spec=c13n...li-5, no=2376, id=3032, vol=1.218500e+00 assign (segid " " and resid 742 and name HD2) (segid " " and resid 741 and name HB) 2.981 1.111 1.111 weight 1.000 ! spec=c13n...li-5, no=2377, id=3033, vol=1.874400e+00 assign (segid " " and resid 742 and name HD1) (segid " " and resid 742 and name HG1) 2.489 0.774 0.774 weight 1.000 ! spec=c13n...li-5, no=2378, id=3034, vol=5.536200e+00 assign (segid " " and resid 744 and name HA) (segid " " and resid 743 and name HG21) 3.205 1.284 1.284 weight 1.000 ! spec=c13n...li-5, no=2379, id=3035, vol=1.214600e+00 assign (segid " " and resid 744 and name HA) (segid " " and resid 745 and name HD11) 3.209 1.288 1.288 weight 1.000 ! spec=c13n...li-5, no=2380, id=3036, vol=1.203600e+00 assign (segid " " and resid 783 and name HD1) (segid " " and resid 783 and name HG1) 3.075 1.182 1.182 weight 1.000 ! spec=c13n...li-5, no=2382, id=3038, vol=1.556400e+00 assign (segid " " and resid 783 and name HD1) (segid " " and resid 785 and name HE1) 3.299 1.361 1.361 weight 1.000 ! spec=c13n...li-5, no=2383, id=3039, vol=1.019800e+00 assign (segid " " and resid 753 and name HB2) (segid " " and resid 753 and name HD11) 2.869 1.029 1.029 weight 1.000 ! spec=c13n...li-5, no=2384, id=3040, vol=2.357600e+00 assign (segid " " and resid 808 and name HD11) (segid " " and resid 808 and name HB2) 2.627 0.863 0.863 weight 1.000 ! spec=c13n...li-5, no=2386, id=3042, vol=4.000900e+00 assign (segid " " and resid 789 and name HA1) (segid " " and resid 761 and name HE1) 3.374 1.423 1.423 weight 1.000 ! spec=c13n...li-5, no=2387, id=3043, vol=8.913000e-01 assign (segid " " and resid 749 and name HA2) (segid " " and resid 751 and name HD1) 3.381 1.429 1.429 weight 1.000 ! spec=c13n...li-5, no=2388, id=3044, vol=8.809000e-01 assign (segid " " and resid 749 and name HA1) (segid " " and resid 751 and name HD1) 3.148 1.239 1.239 weight 1.000 ! spec=c13n...li-5, no=2389, id=3045, vol=1.352300e+00 assign (segid " " and resid 778 and name HB1) (segid " " and resid 778 and name HD1) 3.324 1.381 1.381 weight 1.000 ! spec=c13n...li-5, no=2392, id=3048, vol=9.748000e-01 assign (segid " " and resid 758 and name HB) (segid " " and resid 792 and name HD11) 2.548 0.812 3.452 weight 1.000 ! spec=c13n...li-5, no=2393, id=3049, vol=4.806500e+00 assign (segid " " and resid 792 and name HB) (segid " " and resid 758 and name HD11) 2.781 0.967 0.967 weight 1.000 ! spec=c13n...li-5, no=2394, id=3050, vol=2.843900e+00 assign (segid " " and resid 755 and name HB2) (segid " " and resid 755 and name HD1) 3.106 1.206 1.206 weight 1.000 ! spec=c13n...li-5, no=2396, id=3052, vol=1.465300e+00 assign (segid " " and resid 776 and name HB2) (segid " " and resid 744 and name HB1) 3.196 1.277 2.804 weight 1.000 ! spec=c13n...li-5, no=2399, id=3055, vol=1.234500e+00 assign (segid " " and resid 777 and name HG2) (segid " " and resid 777 and name HG1) 2.136 0.570 0.570 weight 1.000 ! spec=c13n...li-5, no=2400, id=3056, vol=1.386420e+01 assign (segid " " and resid 750 and name HB1) (segid " " and resid 750 and name HD2) 2.662 0.886 3.338 weight 1.000 ! spec=c13n...li-5, no=2402, id=3058, vol=3.697600e+00 assign (segid " " and resid 765 and name HB1) (segid " " and resid 758 and name HG21) 2.677 0.896 0.896 weight 1.000 ! spec=c13n...li-5, no=2403, id=3059, vol=3.577400e+00 assign (segid " " and resid 726 and name HB1) (segid " " and resid 742 and name HB1) 2.373 0.704 3.627 weight 1.000 ! spec=c13n...li-5, no=2405, id=3061, vol=7.374300e+00 assign (segid " " and resid 781 and name HB1) (segid " " and resid 738 and name HD2) 3.246 1.317 1.317 weight 1.000 ! spec=c13n...li-5, no=2406, id=3062, vol=1.123900e+00 assign (segid " " and resid 777 and name HG2) (segid " " and resid 777 and name HB2) 2.000 0.500 0.500 weight 1.000 ! spec=c13n...li-5, no=2408, id=3064, vol=2.055240e+01 assign (segid " " and resid 766 and name HD2) (segid " " and resid 755 and name HD1) 3.037 1.153 2.963 weight 1.000 ! spec=c13n...li-5, no=2410, id=3066, vol=1.675900e+00 assign (segid " " and resid 766 and name HD1) (segid " " and resid 755 and name HD1) 3.211 1.289 2.789 weight 1.000 ! spec=c13n...li-5, no=2411, id=3067, vol=1.199700e+00 assign (segid " " and resid 793 and name HG) (segid " " and resid 755 and name HD2) 3.417 1.459 2.583 weight 1.000 ! spec=c13n...li-5, no=2413, id=3068, vol=8.269000e-01 assign (segid " " and resid 773 and name HG12) (segid " " and resid 751 and name HD1) 3.292 1.355 1.355 weight 1.000 ! spec=c13n...li-5, no=2414, id=3069, vol=1.032600e+00 assign (segid " " and resid 757 and name HG12) (segid " " and resid 755 and name HD1) 3.202 1.282 1.282 weight 1.000 ! spec=c13n...li-5, no=2415, id=3070, vol=1.219900e+00 assign (segid " " and resid 773 and name HG12) (segid " " and resid 770 and name HG21) 2.670 0.891 3.330 weight 1.000 ! spec=c13n...li-5, no=2417, id=3072, vol=3.634400e+00 assign (segid " " and resid 773 and name HG12) (segid " " and resid 773 and name HD11) 2.662 0.886 0.886 weight 1.000 ! spec=c13n...li-5, no=2418, id=3073, vol=3.694700e+00 assign (segid " " and resid 721 and name HG1) (segid " " and resid 721 and name HA) 3.205 1.284 1.284 weight 1.000 ! spec=c13n...li-5, no=2419, id=3074, vol=1.213200e+00 assign (segid " " and resid 753 and name HD21) (segid " " and resid 755 and name HE2) 3.288 1.351 2.712 weight 1.000 ! spec=c13n...li-5, no=2424, id=3079, vol=1.041900e+00 assign (segid " " and resid 750 and name HG2) (segid " " and resid 772 and name HA) 3.018 1.139 2.982 weight 1.000 ! spec=c13n...li-5, no=2428, id=3083, vol=1.740200e+00 assign (segid " " and resid 745 and name HB2) (segid " " and resid 745 and name HD21) 2.619 0.857 3.381 weight 1.000 ! spec=c13n...li-5, no=2432, id=3087, vol=4.077900e+00 assign (segid " " and resid 743 and name HG11) (segid " " and resid 743 and name HA) 2.564 0.822 0.822 weight 1.000 ! spec=c13n...li-5, no=2436, id=3090, vol=4.630800e+00 assign (segid " " and resid 741 and name HG11) (segid " " and resid 743 and name HB) 2.316 0.671 3.684 weight 1.000 ! spec=c13n...li-5, no=2437, id=3091, vol=8.514700e+00 assign (segid " " and resid 742 and name HB2) (segid " " and resid 779 and name HG11) 2.666 0.889 0.889 weight 1.000 ! spec=c13n...li-5, no=2441, id=3093, vol=3.660900e+00 assign (segid " " and resid 741 and name HG21) (segid " " and resid 740 and name HA) 3.129 1.224 2.400 weight 1.000 ! spec=c13n...li-5, no=2445, id=3096, vol=1.400900e+00 assign (segid " " and resid 815 and name HG22) (segid " " and resid 791 and name HD1) 3.156 1.245 1.245 weight 1.000 ! spec=c13n...li-5, no=2446, id=3097, vol=1.330200e+00 or (segid " " and resid 815 and name HG21) (segid " " and resid 791 and name HD1) or (segid " " and resid 815 and name HG23) (segid " " and resid 791 and name HD1) assign (segid " " and resid 758 and name HG21) (segid " " and resid 756 and name HA) 3.204 1.283 1.283 weight 1.000 ! spec=c13n...li-5, no=2447, id=3098, vol=1.215400e+00 assign (segid " " and resid 799 and name HB1) (segid " " and resid 799 and name HG2) 2.700 0.911 0.911 weight 1.000 ! spec=c13n...li-5, no=2451, id=3101, vol=3.393800e+00 assign (segid " " and resid 816 and name HB1) (segid " " and resid 816 and name HG2) 2.634 0.867 0.867 weight 1.000 ! spec=c13n...li-5, no=2453, id=3103, vol=3.940100e+00 assign (segid " " and resid 759 and name HB2) (segid " " and resid 791 and name HE2) 3.162 1.250 1.250 weight 1.000 ! spec=c13n...li-5, no=2454, id=3104, vol=1.315400e+00 assign (segid " " and resid 793 and name HD21) (segid " " and resid 793 and name HA) 2.861 1.023 3.139 weight 1.000 ! spec=c13n...li-5, no=2455, id=3105, vol=2.397500e+00 assign (segid " " and resid 758 and name HN) (segid " " and resid 793 and name HA) 3.006 1.130 1.130 weight 1.000 ! spec=n15noesy-4, no=3, id=2, vol=2.828100e+00 assign (segid " " and resid 758 and name HN) (segid " " and resid 757 and name HA) 2.334 0.681 0.681 weight 1.000 ! spec=n15noesy-4, no=4, id=3, vol=1.291760e+01 assign (segid " " and resid 758 and name HN) (segid " " and resid 758 and name HA) 3.292 1.355 1.355 weight 1.000 ! spec=n15noesy-4, no=5, id=4, vol=1.640400e+00 assign (segid " " and resid 758 and name HN) (segid " " and resid 757 and name HB) 3.400 1.445 1.445 weight 1.000 ! spec=n15noesy-4, no=6, id=5, vol=1.350400e+00 assign (segid " " and resid 758 and name HN) (segid " " and resid 758 and name HB) 2.674 0.894 0.894 weight 1.000 ! spec=n15noesy-4, no=7, id=6, vol=5.705000e+00 assign (segid " " and resid 758 and name HN) (segid " " and resid 757 and name HG12) 3.153 1.243 1.243 weight 1.000 ! spec=n15noesy-4, no=9, id=8, vol=2.123400e+00 assign (segid " " and resid 758 and name HN) (segid " " and resid 757 and name HG21) 2.887 1.042 1.042 weight 1.000 ! spec=n15noesy-4, no=10, id=9, vol=3.608700e+00 assign (segid " " and resid 758 and name HN) (segid " " and resid 758 and name HD11) 3.233 1.306 1.306 weight 1.000 ! spec=n15noesy-4, no=12, id=11, vol=1.829800e+00 assign (segid " " and resid 791 and name HN) (segid " " and resid 815 and name HN) 3.282 1.347 1.347 weight 1.000 ! spec=n15noesy-4, no=15, id=12, vol=1.669300e+00 assign (segid " " and resid 791 and name HN) (segid " " and resid 790 and name HA) 2.267 0.642 0.642 weight 1.000 ! spec=n15noesy-4, no=16, id=13, vol=1.538630e+01 assign (segid " " and resid 791 and name HN) (segid " " and resid 816 and name HA) 3.002 1.127 1.127 weight 1.000 ! spec=n15noesy-4, no=17, id=14, vol=2.849900e+00 assign (segid " " and resid 791 and name HN) (segid " " and resid 815 and name HB) 3.216 1.293 1.293 weight 1.000 ! spec=n15noesy-4, no=20, id=17, vol=1.886500e+00 assign (segid " " and resid 748 and name HN) (segid " " and resid 751 and name HE1) 3.105 1.205 1.205 weight 1.000 ! spec=n15noesy-4, no=26, id=19, vol=2.331100e+00 assign (segid " " and resid 748 and name HN) (segid " " and resid 721 and name HA) 3.206 1.285 2.794 weight 1.000 ! spec=n15noesy-4, no=27, id=20, vol=1.923700e+00 assign (segid " " and resid 748 and name HN) (segid " " and resid 747 and name HA2) 2.444 0.747 0.747 weight 1.000 ! spec=n15noesy-4, no=28, id=21, vol=9.789800e+00 assign (segid " " and resid 748 and name HN) (segid " " and resid 748 and name HA) 2.712 0.919 0.919 weight 1.000 ! spec=n15noesy-4, no=29, id=22, vol=5.252400e+00 assign (segid " " and resid 748 and name HN) (segid " " and resid 747 and name HA1) 2.415 0.729 0.729 weight 1.000 ! spec=n15noesy-4, no=30, id=23, vol=1.052860e+01 assign (segid " " and resid 748 and name HN) (segid " " and resid 721 and name HB2) 2.932 1.075 1.075 weight 1.000 ! spec=n15noesy-4, no=31, id=24, vol=3.283600e+00 assign (segid " " and resid 748 and name HN) (segid " " and resid 748 and name HG1) 3.056 1.167 1.167 weight 1.000 ! spec=n15noesy-4, no=32, id=25, vol=2.562500e+00 assign (segid " " and resid 756 and name HN) (segid " " and resid 794 and name HN) 2.712 0.919 0.919 weight 1.000 ! spec=n15noesy-4, no=36, id=27, vol=5.251200e+00 assign (segid " " and resid 756 and name HN) (segid " " and resid 796 and name HN) 2.991 1.118 3.009 weight 1.000 ! spec=n15noesy-4, no=37, id=28, vol=2.918300e+00 assign (segid " " and resid 756 and name HN) (segid " " and resid 793 and name HA) 3.223 1.298 1.298 weight 1.000 ! spec=n15noesy-4, no=38, id=29, vol=1.863800e+00 assign (segid " " and resid 756 and name HN) (segid " " and resid 755 and name HA) 2.287 0.654 0.654 weight 1.000 ! spec=n15noesy-4, no=39, id=30, vol=1.457820e+01 assign (segid " " and resid 756 and name HN) (segid " " and resid 795 and name HA) 2.960 1.095 1.095 weight 1.000 ! spec=n15noesy-4, no=41, id=32, vol=3.102600e+00 assign (segid " " and resid 756 and name HN) (segid " " and resid 756 and name HB2) 2.822 0.995 0.995 weight 1.000 ! spec=n15noesy-4, no=42, id=33, vol=4.134400e+00 assign (segid " " and resid 756 and name HN) (segid " " and resid 796 and name HB) 3.243 1.315 2.757 weight 1.000 ! spec=n15noesy-4, no=43, id=34, vol=1.793500e+00 assign (segid " " and resid 756 and name HN) (segid " " and resid 757 and name HD11) 2.626 0.862 3.374 weight 1.000 ! spec=n15noesy-4, no=45, id=36, vol=6.363900e+00 assign (segid " " and resid 756 and name HN) (segid " " and resid 756 and name HA) 2.950 1.088 1.088 weight 1.000 ! spec=n15noesy-4, no=47, id=37, vol=3.166000e+00 assign (segid " " and resid 756 and name HN) (segid " " and resid 755 and name HB2) 2.828 1.000 1.000 weight 1.000 ! spec=n15noesy-4, no=48, id=38, vol=4.081000e+00 assign (segid " " and resid 756 and name HN) (segid " " and resid 755 and name HB1) 3.124 1.220 1.220 weight 1.000 ! spec=n15noesy-4, no=49, id=39, vol=2.243800e+00 assign (segid " " and resid 756 and name HN) (segid " " and resid 756 and name HB1) 3.012 1.134 1.134 weight 1.000 ! spec=n15noesy-4, no=50, id=40, vol=2.795600e+00 assign (segid " " and resid 768 and name HN) (segid " " and resid 768 and name HD1) 3.245 1.316 1.316 weight 1.000 ! spec=n15noesy-4, no=56, id=44, vol=1.787500e+00 assign (segid " " and resid 768 and name HN) (segid " " and resid 756 and name HA) 2.753 0.948 0.948 weight 1.000 ! spec=n15noesy-4, no=57, id=45, vol=4.793300e+00 assign (segid " " and resid 768 and name HN) (segid " " and resid 754 and name HA) 3.243 1.315 2.757 weight 1.000 ! spec=n15noesy-4, no=58, id=46, vol=1.793600e+00 assign (segid " " and resid 768 and name HN) (segid " " and resid 767 and name HA) 2.119 0.561 0.561 weight 1.000 ! spec=n15noesy-4, no=60, id=47, vol=2.308750e+01 assign (segid " " and resid 768 and name HN) (segid " " and resid 768 and name HA) 2.775 0.963 0.963 weight 1.000 ! spec=n15noesy-4, no=63, id=48, vol=4.570400e+00 assign (segid " " and resid 768 and name HN) (segid " " and resid 767 and name HB) 3.037 1.153 1.153 weight 1.000 ! spec=n15noesy-4, no=64, id=49, vol=2.661000e+00 assign (segid " " and resid 768 and name HN) (segid " " and resid 768 and name HB2) 3.365 1.415 1.415 weight 1.000 ! spec=n15noesy-4, no=65, id=50, vol=1.438700e+00 assign (segid " " and resid 768 and name HN) (segid " " and resid 768 and name HB1) 2.848 1.014 1.014 weight 1.000 ! spec=n15noesy-4, no=66, id=51, vol=3.909300e+00 assign (segid " " and resid 768 and name HN) (segid " " and resid 767 and name HG21) 2.214 0.613 0.613 weight 1.000 ! spec=n15noesy-4, no=67, id=52, vol=1.773700e+01 assign (segid " " and resid 725 and name HN) (segid " " and resid 724 and name HA) 2.244 0.629 0.629 weight 1.000 ! spec=n15noesy-4, no=71, id=53, vol=1.636200e+01 assign (segid " " and resid 725 and name HN) (segid " " and resid 725 and name HB2) 2.592 0.840 0.840 weight 1.000 ! spec=n15noesy-4, no=73, id=54, vol=6.881400e+00 assign (segid " " and resid 725 and name HN) (segid " " and resid 725 and name HG) 2.525 0.797 0.797 weight 1.000 ! spec=n15noesy-4, no=74, id=55, vol=8.059800e+00 assign (segid " " and resid 725 and name HN) (segid " " and resid 725 and name HB1) 2.784 0.969 0.969 weight 1.000 ! spec=n15noesy-4, no=75, id=56, vol=4.483500e+00 assign (segid " " and resid 725 and name HN) (segid " " and resid 725 and name HD11) 3.103 1.204 1.204 weight 1.000 ! spec=n15noesy-4, no=76, id=57, vol=2.337600e+00 assign (segid " " and resid 725 and name HN) (segid " " and resid 725 and name HD21) 2.928 1.072 1.072 weight 1.000 ! spec=n15noesy-4, no=77, id=58, vol=3.309900e+00 assign (segid " " and resid 795 and name HN) (segid " " and resid 794 and name HA) 2.283 0.652 0.652 weight 1.000 ! spec=n15noesy-4, no=79, id=59, vol=1.474090e+01 assign (segid " " and resid 795 and name HN) (segid " " and resid 795 and name HA) 3.207 1.286 1.286 weight 1.000 ! spec=n15noesy-4, no=80, id=60, vol=1.918800e+00 assign (segid " " and resid 795 and name HN) (segid " " and resid 795 and name HB2) 2.833 1.003 1.003 weight 1.000 ! spec=n15noesy-4, no=81, id=61, vol=4.042200e+00 assign (segid " " and resid 795 and name HN) (segid " " and resid 795 and name HG) 2.598 0.844 0.844 weight 1.000 ! spec=n15noesy-4, no=82, id=62, vol=6.793800e+00 assign (segid " " and resid 795 and name HN) (segid " " and resid 795 and name HB1) 2.966 1.099 1.099 weight 1.000 ! spec=n15noesy-4, no=83, id=63, vol=3.068400e+00 assign (segid " " and resid 770 and name HN) (segid " " and resid 773 and name HG21) 3.410 1.453 1.453 weight 1.000 ! spec=n15noesy-4, no=85, id=65, vol=1.328200e+00 assign (segid " " and resid 770 and name HN) (segid " " and resid 753 and name HN) 2.678 0.896 0.896 weight 1.000 ! spec=n15noesy-4, no=87, id=66, vol=5.666000e+00 assign (segid " " and resid 770 and name HN) (segid " " and resid 769 and name HN) 3.221 1.297 1.297 weight 1.000 ! spec=n15noesy-4, no=89, id=68, vol=1.868400e+00 assign (segid " " and resid 770 and name HN) (segid " " and resid 754 and name HA) 2.886 1.041 1.041 weight 1.000 ! spec=n15noesy-4, no=90, id=69, vol=3.613700e+00 assign (segid " " and resid 770 and name HN) (segid " " and resid 752 and name HA) 3.301 1.362 1.362 weight 1.000 ! spec=n15noesy-4, no=91, id=70, vol=1.615000e+00 assign (segid " " and resid 770 and name HN) (segid " " and resid 769 and name HA) 2.206 0.608 0.608 weight 1.000 ! spec=n15noesy-4, no=92, id=71, vol=1.812930e+01 assign (segid " " and resid 770 and name HN) (segid " " and resid 770 and name HA) 2.839 1.008 1.008 weight 1.000 ! spec=n15noesy-4, no=93, id=72, vol=3.985800e+00 assign (segid " " and resid 770 and name HN) (segid " " and resid 770 and name HB) 2.572 0.827 0.827 weight 1.000 ! spec=n15noesy-4, no=94, id=73, vol=7.205200e+00 assign (segid " " and resid 770 and name HN) (segid " " and resid 770 and name HD11) 2.551 0.813 0.813 weight 1.000 ! spec=n15noesy-4, no=97, id=76, vol=7.581200e+00 assign (segid " " and resid 770 and name HN) (segid " " and resid 770 and name HG21) 3.093 1.196 1.196 weight 1.000 ! spec=n15noesy-4, no=98, id=77, vol=2.382700e+00 assign (segid " " and resid 758 and name HN) (segid " " and resid 792 and name HN) 2.819 0.993 0.993 weight 1.000 ! spec=n15noesy-4, no=99, id=78, vol=4.162700e+00 assign (segid " " and resid 792 and name HN) (segid " " and resid 791 and name HA) 2.235 0.624 0.624 weight 1.000 ! spec=n15noesy-4, no=102, id=80, vol=1.674370e+01 assign (segid " " and resid 792 and name HN) (segid " " and resid 757 and name HA) 3.227 1.302 1.302 weight 1.000 ! spec=n15noesy-4, no=103, id=81, vol=1.849400e+00 assign (segid " " and resid 792 and name HN) (segid " " and resid 792 and name HA) 3.021 1.141 1.141 weight 1.000 ! spec=n15noesy-4, no=104, id=82, vol=2.744400e+00 assign (segid " " and resid 792 and name HN) (segid " " and resid 759 and name HA) 3.181 1.265 1.265 weight 1.000 ! spec=n15noesy-4, no=105, id=83, vol=2.016600e+00 assign (segid " " and resid 792 and name HN) (segid " " and resid 792 and name HB) 2.525 0.797 0.797 weight 1.000 ! spec=n15noesy-4, no=107, id=85, vol=8.062900e+00 assign (segid " " and resid 792 and name HN) (segid " " and resid 792 and name HG12) 3.001 1.126 2.999 weight 1.000 ! spec=n15noesy-4, no=108, id=86, vol=2.859400e+00 assign (segid " " and resid 792 and name HN) (segid " " and resid 760 and name HG21) 2.864 1.025 1.025 weight 1.000 ! spec=n15noesy-4, no=109, id=87, vol=3.785000e+00 assign (segid " " and resid 792 and name HN) (segid " " and resid 792 and name HG11) 3.014 1.136 1.136 weight 1.000 ! spec=n15noesy-4, no=110, id=88, vol=2.782600e+00 assign (segid " " and resid 792 and name HN) (segid " " and resid 758 and name HG11) 3.010 1.133 1.133 weight 1.000 ! spec=n15noesy-4, no=111, id=89, vol=2.805800e+00 assign (segid " " and resid 792 and name HN) (segid " " and resid 792 and name HD11) 2.890 1.044 1.044 weight 1.000 ! spec=n15noesy-4, no=112, id=90, vol=3.580400e+00 assign (segid " " and resid 792 and name HN) (segid " " and resid 758 and name HD11) 3.325 1.382 1.382 weight 1.000 ! spec=n15noesy-4, no=113, id=91, vol=1.546000e+00 assign (segid " " and resid 741 and name HN) (segid " " and resid 781 and name HA) 3.084 1.189 1.189 weight 1.000 ! spec=n15noesy-4, no=115, id=93, vol=2.428600e+00 assign (segid " " and resid 741 and name HN) (segid " " and resid 741 and name HA) 3.009 1.131 1.131 weight 1.000 ! spec=n15noesy-4, no=116, id=94, vol=2.815500e+00 assign (segid " " and resid 741 and name HN) (segid " " and resid 780 and name HA) 3.354 1.406 1.406 weight 1.000 ! spec=n15noesy-4, no=117, id=95, vol=1.467700e+00 assign (segid " " and resid 741 and name HN) (segid " " and resid 780 and name HB) 2.824 0.997 0.997 weight 1.000 ! 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spec=n15noesy-4, no=1186, id=847, vol=6.107000e+00 assign (segid " " and resid 787 and name HN) (segid " " and resid 786 and name HB) 2.747 0.943 3.253 weight 1.000 ! spec=n15noesy-4, no=1188, id=849, vol=4.858900e+00 assign (segid " " and resid 787 and name HN) (segid " " and resid 787 and name HB) 2.529 0.799 3.471 weight 1.000 ! spec=n15noesy-4, no=1189, id=850, vol=7.980300e+00 assign (segid " " and resid 787 and name HN) (segid " " and resid 787 and name HG21) 2.758 0.951 3.242 weight 1.000 ! spec=n15noesy-4, no=1190, id=851, vol=4.740100e+00 assign (segid " " and resid 787 and name HN) (segid " " and resid 786 and name HG21) 3.122 1.218 1.218 weight 1.000 ! spec=n15noesy-4, no=1191, id=852, vol=2.254300e+00 assign (segid " " and resid 787 and name HN) (segid " " and resid 817 and name HG11) 3.228 1.303 1.303 weight 1.000 ! spec=n15noesy-4, no=1192, id=853, vol=1.845000e+00 assign (segid " " and resid 748 and name HE21) (segid " " and resid 746 and name HG2) 3.260 1.328 1.328 weight 1.000 ! 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spec=n15noesy-4, no=1237, id=870, vol=1.833060e+01 assign (segid " " and resid 776 and name HN) (segid " " and resid 775 and name HN) 3.056 1.167 1.167 weight 1.000 ! spec=n15noesy-4, no=1238, id=871, vol=2.562900e+00 assign (segid " " and resid 775 and name HN) (segid " " and resid 775 and name HA) 2.257 0.637 0.637 weight 1.000 ! spec=n15noesy-4, no=1241, id=872, vol=1.578970e+01 assign (segid " " and resid 775 and name HN) (segid " " and resid 774 and name HA) 2.368 0.701 0.701 weight 1.000 ! spec=n15noesy-4, no=1242, id=873, vol=1.182640e+01 assign (segid " " and resid 775 and name HN) (segid " " and resid 773 and name HA) 2.619 0.857 0.857 weight 1.000 ! spec=n15noesy-4, no=1243, id=874, vol=6.468500e+00 assign (segid " " and resid 775 and name HN) (segid " " and resid 774 and name HB2) 2.828 1.000 3.172 weight 1.000 ! spec=n15noesy-4, no=1244, id=875, vol=4.079300e+00 assign (segid " " and resid 775 and name HN) (segid " " and resid 773 and name HB) 2.708 0.917 0.917 weight 1.000 ! spec=n15noesy-4, no=1245, id=876, vol=5.296000e+00 assign (segid " " and resid 775 and name HN) (segid " " and resid 774 and name HG1) 2.967 1.101 3.033 weight 1.000 ! spec=n15noesy-4, no=1246, id=877, vol=3.059100e+00 assign (segid " " and resid 775 and name HN) (segid " " and resid 773 and name HG12) 2.166 0.586 3.834 weight 1.000 ! spec=n15noesy-4, no=1248, id=878, vol=2.022960e+01 assign (segid " " and resid 775 and name HN) (segid " " and resid 773 and name HD11) 2.185 0.597 0.597 weight 1.000 ! spec=n15noesy-4, no=1249, id=879, vol=1.917980e+01 assign (segid " " and resid 729 and name HN) (segid " " and resid 728 and name HA) 2.946 1.085 1.085 weight 1.000 ! spec=n15noesy-4, no=1252, id=880, vol=3.194200e+00 assign (segid " " and resid 762 and name HN) (segid " " and resid 760 and name HB) 3.410 1.454 2.590 weight 1.000 ! spec=n15noesy-4, no=1255, id=882, vol=1.327400e+00 assign (segid " " and resid 763 and name HN) (segid " " and resid 762 and name HN) 2.459 0.756 0.756 weight 1.000 ! 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spec=n15noesy-4, no=1299, id=910, vol=1.325300e+00 assign (segid " " and resid 723 and name HN) (segid " " and resid 795 and name HB1) 3.407 1.451 1.451 weight 1.000 ! spec=n15noesy-4, no=1300, id=911, vol=1.333800e+00 assign (segid " " and resid 723 and name HN) (segid " " and resid 723 and name HB1) 2.386 0.712 3.614 weight 1.000 ! spec=n15noesy-4, no=1301, id=912, vol=1.130080e+01 assign (segid " " and resid 779 and name HN) (segid " " and resid 780 and name HN) 3.146 1.237 1.237 weight 1.000 ! spec=n15noesy-4, no=1307, id=915, vol=2.153300e+00 assign (segid " " and resid 779 and name HN) (segid " " and resid 778 and name HA) 2.034 0.517 0.517 weight 1.000 ! spec=n15noesy-4, no=1310, id=916, vol=2.945490e+01 assign (segid " " and resid 779 and name HN) (segid " " and resid 779 and name HA) 2.695 0.908 0.908 weight 1.000 ! spec=n15noesy-4, no=1311, id=917, vol=5.448100e+00 assign (segid " " and resid 779 and name HN) (segid " " and resid 778 and name HB2) 3.210 1.288 1.288 weight 1.000 ! 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spec=n15noesy-4, no=1374, id=945, vol=1.712200e+00 assign (segid " " and resid 794 and name HN) (segid " " and resid 794 and name HB1) 3.556 1.581 1.581 weight 1.000 ! spec=n15noesy-4, no=1375, id=946, vol=1.032000e+00 assign (segid " " and resid 794 and name HN) (segid " " and resid 792 and name HG21) 3.376 1.424 1.424 weight 1.000 ! spec=n15noesy-4, no=1376, id=947, vol=1.411100e+00 assign (segid " " and resid 788 and name HN) (segid " " and resid 735 and name HD11) 3.490 1.523 1.523 weight 1.000 ! spec=n15noesy-4, no=1379, id=949, vol=1.154600e+00 assign (segid " " and resid 788 and name HN) (segid " " and resid 735 and name HD21) 3.499 1.530 1.530 weight 1.000 ! spec=n15noesy-4, no=1380, id=950, vol=1.137400e+00 assign (segid " " and resid 817 and name HN) (segid " " and resid 817 and name HG11) 3.524 1.553 1.553 weight 1.000 ! spec=n15noesy-4, no=1381, id=951, vol=1.089300e+00 assign (segid " " and resid 796 and name HN) (segid " " and resid 795 and name HN) 3.503 1.533 1.533 weight 1.000 ! spec=n15noesy-4, no=1382, id=952, vol=1.130800e+00 assign (segid " " and resid 796 and name HN) (segid " " and resid 795 and name HB2) 3.542 1.568 1.568 weight 1.000 ! spec=n15noesy-4, no=1384, id=954, vol=1.057100e+00 assign (segid " " and resid 796 and name HN) (segid " " and resid 755 and name HB2) 3.542 1.568 1.568 weight 1.000 ! spec=n15noesy-4, no=1385, id=955, vol=1.056700e+00 assign (segid " " and resid 796 and name HN) (segid " " and resid 755 and name HB1) 3.565 1.589 1.589 weight 1.000 ! spec=n15noesy-4, no=1386, id=956, vol=1.017100e+00 assign (segid " " and resid 751 and name HN) (segid " " and resid 772 and name HA) 3.501 1.532 1.532 weight 1.000 ! spec=n15noesy-4, no=1388, id=958, vol=1.134400e+00 assign (segid " " and resid 752 and name HN) (segid " " and resid 799 and name HD1) 3.129 1.224 1.224 weight 1.000 ! spec=n15noesy-4, no=1389, id=959, vol=2.223600e+00 assign (segid " " and resid 788 and name HN) (segid " " and resid 789 and name HN) 3.125 1.220 2.875 weight 1.000 ! spec=n15noesy-4, no=1390, id=960, vol=2.243600e+00 assign (segid " " and resid 789 and name HN) (segid " " and resid 818 and name HA) 3.284 1.348 1.348 weight 1.000 ! spec=n15noesy-4, no=1391, id=961, vol=1.664700e+00 assign (segid " " and resid 779 and name HN) (segid " " and resid 742 and name HA) 3.112 1.210 1.210 weight 1.000 ! spec=n15noesy-4, no=1392, id=962, vol=2.299600e+00 assign (segid " " and resid 776 and name HN) (segid " " and resid 776 and name HD22) 3.636 1.653 1.653 weight 1.000 ! spec=n15noesy-4, no=1394, id=964, vol=9.035000e-01 assign (segid " " and resid 776 and name HN) (segid " " and resid 744 and name HA) 2.768 0.958 3.232 weight 1.000 ! spec=n15noesy-4, no=1395, id=965, vol=4.644000e+00 assign (segid " " and resid 739 and name HN) (segid " " and resid 739 and name HA) 2.907 1.057 1.057 weight 1.000 ! spec=n15noesy-4, no=1398, id=966, vol=3.455800e+00 assign (segid " " and resid 723 and name HN) (segid " " and resid 746 and name HN) 3.552 1.577 1.577 weight 1.000 ! spec=n15noesy-4, no=1399, id=967, vol=1.040200e+00 assign (segid " " and resid 746 and name HN) (segid " " and resid 747 and name HA2) 2.715 0.921 3.285 weight 1.000 ! spec=n15noesy-4, no=1400, id=968, vol=5.215600e+00 assign (segid " " and resid 725 and name HN) (segid " " and resid 744 and name HN) 3.889 1.891 1.891 weight 1.000 ! spec=n15noesy-4, no=1401, id=969, vol=6.034000e-01 assign (segid " " and resid 725 and name HN) (segid " " and resid 726 and name HA) 3.410 1.454 2.590 weight 1.000 ! spec=n15noesy-4, no=1402, id=970, vol=1.327200e+00 assign (segid " " and resid 727 and name HN) (segid " " and resid 741 and name HA) 3.536 1.563 1.563 weight 1.000 ! spec=n15noesy-4, no=1404, id=971, vol=1.068700e+00 assign (segid " " and resid 781 and name HN) (segid " " and resid 740 and name HA) 3.539 1.565 1.565 weight 1.000 ! spec=n15noesy-4, no=1405, id=972, vol=1.063400e+00 assign (segid " " and resid 808 and name HN) (segid " " and resid 809 and name HN) 3.462 1.498 1.498 weight 1.000 ! spec=n15noesy-4, no=1406, id=973, vol=1.213000e+00 assign (segid " " and resid 809 and name HN) (segid " " and resid 808 and name HB1) 3.495 1.527 1.527 weight 1.000 ! spec=n15noesy-4, no=1407, id=974, vol=1.145700e+00 assign (segid " " and resid 809 and name HN) (segid " " and resid 808 and name HB2) 3.798 1.803 1.803 weight 1.000 ! spec=n15noesy-4, no=1408, id=975, vol=6.959000e-01 assign (segid " " and resid 809 and name HN) (segid " " and resid 808 and name HD21) 3.819 1.823 1.823 weight 1.000 ! spec=n15noesy-4, no=1409, id=976, vol=6.726000e-01 assign (segid " " and resid 800 and name HN) (segid " " and resid 804 and name HN) 2.833 1.003 1.003 weight 1.000 ! spec=n15noesy-4, no=1411, id=978, vol=4.037700e+00 assign (segid " " and resid 804 and name HN) (segid " " and resid 799 and name HA) 3.565 1.589 1.589 weight 1.000 ! spec=n15noesy-4, no=1412, id=979, vol=1.016300e+00 assign (segid " " and resid 726 and name HN) (segid " " and resid 726 and name HA) 2.529 0.800 0.800 weight 1.000 ! spec=n15noesy-4, no=1413, id=980, vol=7.977300e+00 assign (segid " " and resid 813 and name HN) (segid " " and resid 792 and name HA) 3.216 1.293 1.293 weight 1.000 ! spec=n15noesy-4, no=1415, id=981, vol=1.888200e+00 assign (segid " " and resid 724 and name HN) (segid " " and resid 743 and name HA) 3.204 1.283 1.283 weight 1.000 ! spec=n15noesy-4, no=1417, id=983, vol=1.930100e+00 assign (segid " " and resid 744 and name HN) (segid " " and resid 725 and name HD21) 3.488 1.520 1.520 weight 1.000 ! spec=n15noesy-4, no=1418, id=984, vol=1.160200e+00 assign (segid " " and resid 815 and name HN) (segid " " and resid 815 and name HG12) 3.248 1.318 1.318 weight 1.000 ! spec=n15noesy-4, no=1419, id=985, vol=1.779100e+00 assign (segid " " and resid 816 and name HN) (segid " " and resid 731 and name HB2) 3.254 1.324 1.324 weight 1.000 ! spec=n15noesy-4, no=1421, id=986, vol=1.758200e+00 assign (segid " " and resid 810 and name HN) (segid " " and resid 810 and name HG2) 3.558 1.582 1.582 weight 1.000 ! spec=n15noesy-4, no=1422, id=987, vol=1.029800e+00 assign (segid " " and resid 799 and name HN) (segid " " and resid 800 and name HA) 3.349 1.402 1.402 weight 1.000 ! spec=n15noesy-4, no=1423, id=988, vol=1.480600e+00 assign (segid " " and resid 799 and name HN) (segid " " and resid 799 and name HB1) 2.841 1.009 1.009 weight 1.000 ! spec=n15noesy-4, no=1424, id=989, vol=3.974000e+00 assign (segid " " and resid 782 and name HN) (segid " " and resid 780 and name HG21) 3.596 1.616 1.616 weight 1.000 ! spec=n15noesy-4, no=1427, id=990, vol=9.659000e-01 assign (segid " " and resid 778 and name HN) (segid " " and resid 777 and name HB1) 2.781 0.967 3.219 weight 1.000 ! spec=n15noesy-4, no=1429, id=992, vol=4.511600e+00 assign (segid " " and resid 766 and name HN) (segid " " and resid 756 and name HB1) 3.548 1.574 2.452 weight 1.000 ! spec=n15noesy-4, no=1433, id=996, vol=1.045700e+00 assign (segid " " and resid 820 and name HN) (segid " " and resid 819 and name HA) 2.325 0.676 0.676 weight 1.000 ! spec=n15noesy-4, no=1435, id=997, vol=1.320550e+01 assign (segid " " and resid 765 and name HN) (segid " " and resid 764 and name HG2) 3.212 1.289 2.788 weight 1.000 ! spec=n15noesy-4, no=1437, id=999, vol=1.901900e+00 assign (segid " " and resid 730 and name HN) (segid " " and resid 730 and name HA) 2.602 0.846 0.846 weight 1.000 ! spec=n15noesy-4, no=1438, id=1000, vol=6.722800e+00 assign (segid " " and resid 720 and name HN) (segid " " and resid 720 and name HG2) 3.018 1.139 1.139 weight 1.000 ! spec=n15noesy-4, no=1439, id=1001, vol=2.760200e+00 assign (segid " " and resid 771 and name HN) (segid " " and resid 771 and name HB2) 2.569 0.825 0.825 weight 1.000 ! spec=n15noesy-4, no=1440, id=1002, vol=7.257200e+00 assign (segid " " and resid 726 and name HN) (segid " " and resid 726 and name HB1) 2.687 0.902 0.902 weight 1.000 ! spec=n15noesy-4, no=1441, id=1003, vol=5.547500e+00 assign (segid " " and resid 722 and name HN) (segid " " and resid 746 and name HG2) 3.504 1.535 1.535 weight 1.000 ! spec=n15noesy-4, no=1442, id=1004, vol=1.127500e+00 assign (segid " " and resid 722 and name HN) (segid " " and resid 745 and name HB2) 3.528 1.556 2.472 weight 1.000 ! spec=n15noesy-4, no=1443, id=1005, vol=1.082300e+00 assign (segid " " and resid 749 and name HN) (segid " " and resid 751 and name HD1) 3.522 1.551 1.551 weight 1.000 ! spec=n15noesy-4, no=1444, id=1006, vol=1.093700e+00 assign (segid " " and resid 746 and name HN) (segid " " and resid 723 and name HB1) 3.006 1.130 2.994 weight 1.000 ! spec=n15noesy-4, no=1445, id=1007, vol=2.829500e+00 assign (segid " " and resid 802 and name HN) (segid " " and resid 803 and name HA2) 2.765 0.956 3.235 weight 1.000 ! spec=n15noesy-4, no=1446, id=1008, vol=4.669700e+00 assign (segid " " and resid 769 and name HN) (segid " " and resid 755 and name HN) 3.477 1.511 1.511 weight 1.000 ! spec=n15noesy-4, no=1447, id=1009, vol=1.181400e+00 assign (segid " " and resid 747 and name HN) (segid " " and resid 748 and name HE22) 3.640 1.656 1.656 weight 1.000 ! spec=n15noesy-4, no=1448, id=1010, vol=8.981000e-01 assign (segid " " and resid 724 and name HN) (segid " " and resid 725 and name HD21) 3.178 1.263 1.263 weight 1.000 ! spec=n15noesy-4, no=1450, id=1011, vol=2.025100e+00 assign (segid " " and resid 740 and name HN) (segid " " and resid 782 and name HG21) 3.729 1.739 1.739 weight 1.000 ! spec=n15noesy-4, no=1451, id=1012, vol=7.759000e-01 assign (segid " " and resid 772 and name HN) (segid " " and resid 753 and name HN) 3.483 1.517 1.517 weight 1.000 ! spec=n15noesy-4, no=1452, id=1013, vol=1.168400e+00 assign (segid " " and resid 772 and name HN) (segid " " and resid 751 and name HN) 3.675 1.688 1.688 weight 1.000 ! spec=n15noesy-4, no=1453, id=1014, vol=8.478000e-01 assign (segid " " and resid 772 and name HN) (segid " " and resid 771 and name HB1) 2.521 0.794 0.794 weight 1.000 ! spec=n15noesy-4, no=1455, id=1015, vol=8.140300e+00 assign (segid " " and resid 797 and name HN) (segid " " and resid 808 and name HB1) 3.327 1.384 1.384 weight 1.000 ! spec=n15noesy-4, no=1457, id=1017, vol=1.539500e+00 assign (segid " " and resid 790 and name HN) (segid " " and resid 760 and name HG21) 3.561 1.585 1.585 weight 1.000 ! spec=n15noesy-4, no=1458, id=1018, vol=1.023800e+00 assign (segid " " and resid 803 and name HN) (segid " " and resid 799 and name HE1) 3.503 1.534 1.534 weight 1.000 ! spec=n15noesy-4, no=1459, id=1019, vol=1.129800e+00 assign (segid " " and resid 785 and name HN) (segid " " and resid 736 and name HA1) 3.499 1.530 1.530 weight 1.000 ! spec=n15noesy-4, no=1460, id=1020, vol=1.138200e+00 assign (segid " " and resid 760 and name HN) (segid " " and resid 761 and name HN) 2.532 0.801 0.801 weight 1.000 ! spec=n15noesy-4, no=1462, id=1021, vol=7.925200e+00 assign (segid " " and resid 760 and name HN) (segid " " and resid 759 and name HB1) 3.170 1.256 1.256 weight 1.000 ! spec=n15noesy-4, no=1463, id=1022, vol=2.057000e+00 assign (segid " " and resid 760 and name HN) (segid " " and resid 792 and name HD11) 3.689 1.702 1.702 weight 1.000 ! spec=n15noesy-4, no=1464, id=1023, vol=8.277000e-01 assign (segid " " and resid 816 and name HE21) (segid " " and resid 732 and name HE2) 3.578 1.600 1.600 weight 1.000 ! spec=n15noesy-4, no=1465, id=1024, vol=9.958000e-01 or (segid " " and resid 816 and name HE21) (segid " " and resid 732 and name HE1) assign (segid " " and resid 761 and name HN) (segid " " and resid 761 and name HD1) 3.158 1.247 1.247 weight 1.000 ! spec=n15noesy-4, no=1466, id=1025, vol=2.103400e+00 assign (segid " " and resid 761 and name HN) (segid " " and resid 759 and name HA) 3.093 1.196 1.196 weight 1.000 ! spec=n15noesy-4, no=1467, id=1026, vol=2.383600e+00 assign (segid " " and resid 761 and name HN) (segid " " and resid 759 and name HB1) 3.429 1.470 1.470 weight 1.000 ! spec=n15noesy-4, no=1468, id=1027, vol=1.283900e+00 assign (segid " " and resid 777 and name HN) (segid " " and resid 744 and name HA) 2.936 1.077 1.077 weight 1.000 ! spec=n15noesy-4, no=1469, id=1028, vol=3.261900e+00 assign (segid " " and resid 777 and name HN) (segid " " and resid 745 and name HD11) 3.641 1.657 1.657 weight 1.000 ! spec=n15noesy-4, no=1470, id=1029, vol=8.964000e-01 assign (segid " " and resid 775 and name HN) (segid " " and resid 775 and name HB) 2.616 0.855 0.855 weight 1.000 ! spec=n15noesy-4, no=1471, id=1030, vol=6.519500e+00 assign (segid " " and resid 775 and name HN) (segid " " and resid 745 and name HD11) 3.542 1.569 1.569 weight 1.000 ! spec=n15noesy-4, no=1473, id=1032, vol=1.056600e+00 assign (segid " " and resid 723 and name HN) (segid " " and resid 795 and name HD11) 2.886 1.041 1.041 weight 1.000 ! spec=n15noesy-4, no=1476, id=1035, vol=3.611700e+00 assign (segid " " and resid 758 and name HN) (segid " " and resid 759 and name HN) 3.574 1.596 1.596 weight 1.000 ! spec=n15noesy-4, no=1480, id=1038, vol=1.002400e+00 assign (segid " " and resid 791 and name HN) (segid " " and resid 791 and name HD1) 3.847 1.850 1.850 weight 1.000 ! spec=n15noesy-4, no=1483, id=1040, vol=6.436000e-01 assign (segid " " and resid 795 and name HN) (segid " " and resid 809 and name HA) 3.553 1.578 1.578 weight 1.000 ! spec=n15noesy-4, no=1484, id=1041, vol=1.038000e+00 assign (segid " " and resid 795 and name HN) (segid " " and resid 796 and name HG21) 3.592 1.613 1.613 weight 1.000 ! spec=n15noesy-4, no=1485, id=1042, vol=9.719000e-01 assign (segid " " and resid 770 and name HN) (segid " " and resid 769 and name HG2) 2.826 0.998 0.998 weight 1.000 ! spec=n15noesy-4, no=1486, id=1043, vol=4.098800e+00 assign (segid " " and resid 792 and name HN) (segid " " and resid 758 and name HB) 2.922 1.067 3.078 weight 1.000 ! spec=n15noesy-4, no=1487, id=1044, vol=3.356700e+00 assign (segid " " and resid 741 and name HN) (segid " " and resid 779 and name HA) 3.567 1.590 1.590 weight 1.000 ! spec=n15noesy-4, no=1488, id=1045, vol=1.014200e+00 assign (segid " " and resid 753 and name HN) (segid " " and resid 770 and name HA) 3.572 1.595 1.595 weight 1.000 ! spec=n15noesy-4, no=1489, id=1046, vol=1.004800e+00 assign (segid " " and resid 780 and name HN) (segid " " and resid 743 and name HN) 3.107 1.206 1.206 weight 1.000 ! spec=n15noesy-4, no=1490, id=1047, vol=2.322000e+00 assign (segid " " and resid 806 and name HN) (segid " " and resid 797 and name HA) 3.653 1.668 1.668 weight 1.000 ! spec=n15noesy-4, no=1491, id=1048, vol=8.779000e-01 assign (segid " " and resid 751 and name HN) (segid " " and resid 773 and name HG21) 3.508 1.538 1.538 weight 1.000 ! spec=n15noesy-4, no=1493, id=1049, vol=1.120000e+00 assign (segid " " and resid 752 and name HN) (segid " " and resid 752 and name HA) 2.756 0.950 0.950 weight 1.000 ! spec=n15noesy-4, no=1495, id=1051, vol=4.759900e+00 assign (segid " " and resid 752 and name HN) (segid " " and resid 798 and name HA) 3.123 1.219 1.219 weight 1.000 ! spec=n15noesy-4, no=1496, id=1052, vol=2.248600e+00 assign (segid " " and resid 820 and name HN) (segid " " and resid 820 and name HB2) 2.788 0.972 0.972 weight 1.000 ! spec=n15noesy-4, no=1498, id=1053, vol=4.442000e+00 assign (segid " " and resid 785 and name HN) (segid " " and resid 785 and name HD1) 3.485 1.518 1.518 weight 1.000 ! spec=n15noesy-4, no=1500, id=1054, vol=1.164600e+00 assign (segid " " and resid 767 and name HN) (segid " " and resid 766 and name HG1) 2.927 1.071 1.071 weight 1.000 ! spec=n15noesy-4, no=1501, id=1055, vol=3.322400e+00 assign (segid " " and resid 760 and name HN) (segid " " and resid 759 and name HG2) 3.562 1.586 1.586 weight 1.000 ! spec=n15noesy-4, no=1502, id=1056, vol=1.022900e+00 assign (segid " " and resid 773 and name HN) (segid " " and resid 772 and name HB1) 3.076 1.182 1.182 weight 1.000 ! spec=n15noesy-4, no=1504, id=1058, vol=2.466600e+00 assign (segid " " and resid 788 and name HN) (segid " " and resid 736 and name HN) 3.342 1.396 1.396 weight 1.000 ! spec=n15noesy-4, no=1505, id=1059, vol=1.498400e+00 assign (segid " " and resid 774 and name HN) (segid " " and resid 775 and name HA) 3.290 1.353 1.353 weight 1.000 ! spec=n15noesy-4, no=1506, id=1060, vol=1.644900e+00 assign (segid " " and resid 762 and name HB2) (segid " " and resid 763 and name HB2) 2.950 1.088 1.088 weight 1.000 ! spec=c13n...li-5, no=63, id=1105, vol=1.994500e+00 or (segid " " and resid 762 and name HB2) (segid " " and resid 763 and name HB1) assign (segid " " and resid 796 and name HA) (segid " " and resid 754 and name HG21) 2.850 1.016 3.150 weight 1.000 ! spec=c13n...li-5, no=102, id=1130, vol=2.452900e+00 or (segid " " and resid 796 and name HA) (segid " " and resid 808 and name HD21) assign (segid " " and resid 811 and name HA) (segid " " and resid 811 and name HD2) 2.815 0.990 0.990 weight 1.000 ! spec=c13n...li-5, no=123, id=1145, vol=2.644300e+00 or (segid " " and resid 811 and name HA) (segid " " and resid 811 and name HD1) assign (segid " " and resid 811 and name HA) (segid " " and resid 811 and name HB1) 2.195 0.602 0.602 weight 1.000 ! spec=c13n...li-5, no=128, id=1150, vol=1.175190e+01 or (segid " " and resid 811 and name HA) (segid " " and resid 811 and name HG1) assign (segid " " and resid 773 and name HA) (segid " " and resid 773 and name HG12) 2.352 0.691 3.648 weight 1.000 ! spec=c13n...li-5, no=142, id=1156, vol=7.774200e+00 or (segid " " and resid 773 and name HA) (segid " " and resid 773 and name HG11) assign (segid " " and resid 721 and name HA) (segid " " and resid 746 and name HB1) 2.895 1.047 1.047 weight 1.000 ! spec=c13n...li-5, no=162, id=1173, vol=2.235900e+00 or (segid " " and resid 721 and name HA) (segid " " and resid 746 and name HD2) or (segid " " and resid 721 and name HA) (segid " " and resid 746 and name HD1) assign (segid " " and resid 750 and name HA) (segid " " and resid 750 and name HB1) 2.176 0.592 0.592 weight 1.000 ! spec=c13n...li-5, no=203, id=1209, vol=1.237870e+01 or (segid " " and resid 750 and name HA) (segid " " and resid 750 and name HG2) assign (segid " " and resid 806 and name HA) (segid " " and resid 798 and name HG21) 2.838 1.007 3.162 weight 1.000 ! spec=c13n...li-5, no=208, id=1212, vol=2.517100e+00 or (segid " " and resid 786 and name HA) (segid " " and resid 735 and name HD11) assign (segid " " and resid 752 and name HA) (segid " " and resid 799 and name HB2) 2.648 0.876 3.352 weight 1.000 ! spec=c13n...li-5, no=217, id=1219, vol=3.817700e+00 or (segid " " and resid 752 and name HA) (segid " " and resid 771 and name HB1) assign (segid " " and resid 752 and name HA) (segid " " and resid 771 and name HG1) 2.937 1.078 3.063 weight 1.000 ! spec=c13n...li-5, no=219, id=1221, vol=2.048200e+00 or (segid " " and resid 752 and name HA) (segid " " and resid 771 and name HG2) assign (segid " " and resid 779 and name HA) (segid " " and resid 742 and name HB1) 2.782 0.968 0.968 weight 1.000 ! spec=c13n...li-5, no=245, id=1242, vol=2.835400e+00 or (segid " " and resid 779 and name HA) (segid " " and resid 742 and name HG2) assign (segid " " and resid 805 and name HA) (segid " " and resid 806 and name HA) 3.049 1.162 1.162 weight 1.000 ! spec=c13n...li-5, no=290, id=1278, vol=1.638000e+00 or (segid " " and resid 805 and name HA) (segid " " and resid 804 and name HA) assign (segid " " and resid 805 and name HA) (segid " " and resid 799 and name HG1) 2.771 0.960 0.960 weight 1.000 ! spec=c13n...li-5, no=294, id=1282, vol=2.904100e+00 or (segid " " and resid 805 and name HA) (segid " " and resid 799 and name HG2) assign (segid " " and resid 757 and name HA) (segid " " and resid 757 and name HG21) 2.277 0.648 0.648 weight 1.000 ! spec=c13n...li-5, no=306, id=1293, vol=9.435400e+00 or (segid " " and resid 757 and name HA) (segid " " and resid 757 and name HG11) assign (segid " " and resid 804 and name HA) (segid " " and resid 804 and name HB1) 2.828 1.000 1.000 weight 1.000 ! spec=c13n...li-5, no=356, id=1329, vol=2.568700e+00 or (segid " " and resid 804 and name HA) (segid " " and resid 804 and name HB2) assign (segid " " and resid 792 and name HA) (segid " " and resid 792 and name HG21) 2.223 0.618 0.618 weight 1.000 ! spec=c13n...li-5, no=364, id=1335, vol=1.089470e+01 or (segid " " and resid 792 and name HA) (segid " " and resid 792 and name HD11) assign (segid " " and resid 741 and name HA) (segid " " and resid 742 and name HG2) 2.830 1.001 1.001 weight 1.000 ! spec=c13n...li-5, no=369, id=1339, vol=2.561700e+00 or (segid " " and resid 741 and name HA) (segid " " and resid 742 and name HG1) assign (segid " " and resid 770 and name HA) (segid " " and resid 770 and name HG11) 2.409 0.726 0.726 weight 1.000 ! spec=c13n...li-5, no=379, id=1348, vol=6.725200e+00 or (segid " " and resid 770 and name HA) (segid " " and resid 770 and name HG12) assign (segid " " and resid 785 and name HA) (segid " " and resid 785 and name HB2) 2.172 0.590 0.590 weight 1.000 ! spec=c13n...li-5, no=383, id=1352, vol=1.252830e+01 or (segid " " and resid 785 and name HA) (segid " " and resid 785 and name HB1) assign (segid " " and resid 798 and name HA) (segid " " and resid 798 and name HD11) 2.187 0.598 3.813 weight 1.000 ! spec=c13n...li-5, no=397, id=1363, vol=1.200890e+01 or (segid " " and resid 798 and name HA) (segid " " and resid 798 and name HG21) assign (segid " " and resid 774 and name HA) (segid " " and resid 774 and name HE1) 2.150 0.578 3.850 weight 1.000 ! spec=c13n...li-5, no=428, id=1389, vol=1.332870e+01 or (segid " " and resid 774 and name HA) (segid " " and resid 774 and name HE2) assign (segid " " and resid 774 and name HA) (segid " " and resid 774 and name HD2) 2.168 0.588 3.832 weight 1.000 ! spec=c13n...li-5, no=433, id=1394, vol=1.266500e+01 or (segid " " and resid 774 and name HA) (segid " " and resid 774 and name HD1) assign (segid " " and resid 735 and name HA) (segid " " and resid 735 and name HB1) 2.033 0.517 3.967 weight 1.000 ! spec=c13n...li-5, no=445, id=1403, vol=1.861430e+01 or (segid " " and resid 735 and name HA) (segid " " and resid 735 and name HG) assign (segid " " and resid 735 and name HA) (segid " " and resid 817 and name HG11) 2.217 0.614 0.614 weight 1.000 ! spec=c13n...li-5, no=446, id=1404, vol=1.108090e+01 or (segid " " and resid 735 and name HA) (segid " " and resid 735 and name HD21) assign (segid " " and resid 740 and name HA) (segid " " and resid 781 and name HB1) 2.634 0.868 3.366 weight 1.000 ! spec=c13n...li-5, no=450, id=1408, vol=3.934700e+00 or (segid " " and resid 740 and name HA) (segid " " and resid 781 and name HB2) assign (segid " " and resid 778 and name HA) (segid " " and resid 741 and name HG12) 2.715 0.922 3.285 weight 1.000 ! spec=c13n...li-5, no=457, id=1415, vol=3.280900e+00 or (segid " " and resid 778 and name HA) (segid " " and resid 741 and name HG11) or (segid " " and resid 778 and name HA) (segid " " and resid 741 and name HG13) or (segid " " and resid 778 and name HA) (segid " " and resid 753 and name HD22) or (segid " " and resid 778 and name HA) (segid " " and resid 753 and name HD21) or (segid " " and resid 778 and name HA) (segid " " and resid 753 and name HD23) or (segid " " and resid 778 and name HA) (segid " " and resid 770 and name HG22) or (segid " " and resid 778 and name HA) (segid " " and resid 770 and name HG21) or (segid " " and resid 778 and name HA) (segid " " and resid 770 and name HG23) assign (segid " " and resid 778 and name HA) (segid " " and resid 773 and name HD12) 2.840 1.008 3.160 weight 1.000 ! spec=c13n...li-5, no=461, id=1419, vol=2.509200e+00 or (segid " " and resid 778 and name HA) (segid " " and resid 773 and name HD11) or (segid " " and resid 778 and name HA) (segid " " and resid 773 and name HD13) or (segid " " and resid 778 and name HA) (segid " " and resid 723 and name HB2) or (segid " " and resid 778 and name HA) (segid " " and resid 723 and name HB1) or (segid " " and resid 778 and name HA) (segid " " and resid 723 and name HB3) assign (segid " " and resid 791 and name HA) (segid " " and resid 758 and name HG12) 2.942 1.082 3.058 weight 1.000 ! spec=c13n...li-5, no=472, id=1428, vol=2.028200e+00 or (segid " " and resid 791 and name HA) (segid " " and resid 815 and name HB) assign (segid " " and resid 740 and name HA) (segid " " and resid 781 and name HG2) 2.737 0.936 0.936 weight 1.000 ! spec=c13n...li-5, no=473, id=1429, vol=3.129000e+00 or (segid " " and resid 740 and name HA) (segid " " and resid 781 and name HG1) assign (segid " " and resid 819 and name HA) (segid " " and resid 735 and name HB2) 2.427 0.736 0.736 weight 1.000 ! spec=c13n...li-5, no=493, id=1448, vol=6.434800e+00 or (segid " " and resid 819 and name HA) (segid " " and resid 819 and name HG1) assign (segid " " and resid 819 and name HA) (segid " " and resid 819 and name HB2) 1.968 0.484 0.484 weight 1.000 ! spec=c13n...li-5, no=495, id=1450, vol=2.261100e+01 or (segid " " and resid 819 and name HA) (segid " " and resid 819 and name HB1) assign (segid " " and resid 791 and name HA) (segid " " and resid 791 and name HB2) 2.460 0.756 0.756 weight 1.000 ! spec=c13n...li-5, no=513, id=1466, vol=5.934200e+00 or (segid " " and resid 791 and name HA) (segid " " and resid 791 and name HB1) assign (segid " " and resid 771 and name HA) (segid " " and resid 771 and name HB2) 1.980 0.490 0.490 weight 1.000 ! spec=c13n...li-5, no=534, id=1480, vol=2.180010e+01 or (segid " " and resid 814 and name HA) (segid " " and resid 814 and name HB2) assign (segid " " and resid 718 and name HA) (segid " " and resid 718 and name HB1) 1.822 0.415 4.178 weight 1.000 ! spec=c13n...li-5, no=553, id=1491, vol=3.590640e+01 or (segid " " and resid 718 and name HA) (segid " " and resid 718 and name HB2) assign (segid " " and resid 732 and name HA) (segid " " and resid 732 and name HG1) 2.249 0.632 0.632 weight 1.000 ! spec=c13n...li-5, no=555, id=1492, vol=1.017250e+01 or (segid " " and resid 732 and name HA) (segid " " and resid 732 and name HG2) assign (segid " " and resid 771 and name HA) (segid " " and resid 771 and name HG2) 2.193 0.601 0.601 weight 1.000 ! spec=c13n...li-5, no=560, id=1497, vol=1.181500e+01 or (segid " " and resid 771 and name HA) (segid " " and resid 771 and name HG1) assign (segid " " and resid 717 and name HA) (segid " " and resid 717 and name HB2) 1.710 0.366 4.290 weight 1.000 ! spec=c13n...li-5, no=589, id=1524, vol=5.260500e+01 or (segid " " and resid 717 and name HA) (segid " " and resid 717 and name HB1) assign (segid " " and resid 726 and name HA) (segid " " and resid 726 and name HB1) 2.178 0.593 0.593 weight 1.000 ! spec=c13n...li-5, no=592, id=1527, vol=1.233550e+01 or (segid " " and resid 726 and name HA) (segid " " and resid 726 and name HG2) assign (segid " " and resid 816 and name HA) (segid " " and resid 816 and name HG1) 2.129 0.567 0.567 weight 1.000 ! spec=c13n...li-5, no=613, id=1545, vol=1.411940e+01 or (segid " " and resid 816 and name HA) (segid " " and resid 816 and name HB2) assign (segid " " and resid 766 and name HA) (segid " " and resid 766 and name HB1) 1.802 0.406 4.198 weight 1.000 ! spec=c13n...li-5, no=615, id=1547, vol=3.846360e+01 or (segid " " and resid 766 and name HA) (segid " " and resid 766 and name HB2) assign (segid " " and resid 769 and name HA) (segid " " and resid 769 and name HG2) 2.033 0.517 0.517 weight 1.000 ! spec=c13n...li-5, no=629, id=1558, vol=1.863750e+01 or (segid " " and resid 769 and name HA) (segid " " and resid 769 and name HB2) assign (segid " " and resid 746 and name HA) (segid " " and resid 746 and name HB2) 1.870 0.437 0.437 weight 1.000 ! spec=c13n...li-5, no=638, id=1567, vol=3.078270e+01 or (segid " " and resid 731 and name HA) (segid " " and resid 731 and name HG) assign (segid " " and resid 731 and name HA) (segid " " and resid 731 and name HB1) 2.038 0.519 0.519 weight 1.000 ! spec=c13n...li-5, no=639, id=1568, vol=1.835210e+01 or (segid " " and resid 746 and name HA) (segid " " and resid 746 and name HG2) assign (segid " " and resid 738 and name HA) (segid " " and resid 738 and name HB1) 2.020 0.510 0.510 weight 1.000 ! spec=c13n...li-5, no=666, id=1591, vol=1.935660e+01 or (segid " " and resid 730 and name HA) (segid " " and resid 730 and name HB1) assign (segid " " and resid 793 and name HA) (segid " " and resid 793 and name HB1) 2.125 0.565 0.565 weight 1.000 ! spec=c13n...li-5, no=688, id=1611, vol=1.427260e+01 or (segid " " and resid 793 and name HA) (segid " " and resid 757 and name HG12) assign (segid " " and resid 781 and name HA) (segid " " and resid 781 and name HD2) 2.503 0.783 0.783 weight 1.000 ! spec=c13n...li-5, no=694, id=1616, vol=5.355200e+00 or (segid " " and resid 781 and name HA) (segid " " and resid 781 and name HD1) assign (segid " " and resid 720 and name HA) (segid " " and resid 719 and name HG11) 2.591 0.839 3.409 weight 1.000 ! spec=c13n...li-5, no=705, id=1625, vol=4.346200e+00 or (segid " " and resid 720 and name HA) (segid " " and resid 719 and name HG21) assign (segid " " and resid 727 and name HA) (segid " " and resid 727 and name HB2) 1.677 0.352 4.323 weight 1.000 ! spec=c13n...li-5, no=711, id=1630, vol=5.904520e+01 or (segid " " and resid 727 and name HA) (segid " " and resid 727 and name HB1) assign (segid " " and resid 781 and name HA) (segid " " and resid 781 and name HB1) 1.977 0.489 0.489 weight 1.000 ! spec=c13n...li-5, no=714, id=1633, vol=2.203530e+01 or (segid " " and resid 781 and name HA) (segid " " and resid 781 and name HB2) assign (segid " " and resid 781 and name HA) (segid " " and resid 781 and name HG2) 2.217 0.614 0.614 weight 1.000 ! spec=c13n...li-5, no=715, id=1634, vol=1.107590e+01 or (segid " " and resid 781 and name HA) (segid " " and resid 781 and name HG1) assign (segid " " and resid 818 and name HA) (segid " " and resid 818 and name HG2) 2.689 0.904 0.904 weight 1.000 ! spec=c13n...li-5, no=719, id=1638, vol=3.482000e+00 or (segid " " and resid 818 and name HA) (segid " " and resid 818 and name HG1) assign (segid " " and resid 799 and name HA) (segid " " and resid 752 and name HG21) 3.054 1.166 2.946 weight 1.000 ! spec=c13n...li-5, no=738, id=1655, vol=1.620500e+00 or (segid " " and resid 799 and name HA) (segid " " and resid 752 and name HG22) or (segid " " and resid 799 and name HA) (segid " " and resid 752 and name HG23) or (segid " " and resid 799 and name HA) (segid " " and resid 808 and name HD22) or (segid " " and resid 799 and name HA) (segid " " and resid 808 and name HD21) or (segid " " and resid 799 and name HA) (segid " " and resid 808 and name HD23) assign (segid " " and resid 790 and name HA) (segid " " and resid 790 and name HB1) 2.164 0.585 0.585 weight 1.000 ! spec=c13n...li-5, no=743, id=1659, vol=1.280380e+01 or (segid " " and resid 790 and name HA) (segid " " and resid 790 and name HB2) assign (segid " " and resid 733 and name HA) (segid " " and resid 733 and name HB1) 2.313 0.669 0.669 weight 1.000 ! spec=c13n...li-5, no=753, id=1668, vol=8.591800e+00 or (segid " " and resid 733 and name HA) (segid " " and resid 733 and name HG) assign (segid " " and resid 810 and name HA) (segid " " and resid 810 and name HG2) 2.795 0.976 0.976 weight 1.000 ! spec=c13n...li-5, no=766, id=1680, vol=2.761300e+00 or (segid " " and resid 810 and name HA) (segid " " and resid 810 and name HG1) assign (segid " " and resid 810 and name HA) (segid " " and resid 810 and name HB2) 2.588 0.837 0.837 weight 1.000 ! spec=c13n...li-5, no=769, id=1683, vol=4.381700e+00 or (segid " " and resid 810 and name HA) (segid " " and resid 810 and name HB1) assign (segid " " and resid 742 and name HD2) (segid " " and resid 742 and name HG2) 2.633 0.867 0.867 weight 1.000 ! spec=c13n...li-5, no=796, id=1705, vol=3.947500e+00 or (segid " " and resid 742 and name HD2) (segid " " and resid 742 and name HG1) assign (segid " " and resid 742 and name HD1) (segid " " and resid 727 and name HD21) 3.101 1.202 1.202 weight 1.000 ! spec=c13n...li-5, no=804, id=1712, vol=1.479000e+00 or (segid " " and resid 742 and name HD1) (segid " " and resid 727 and name HD11) assign (segid " " and resid 811 and name HD1) (segid " " and resid 811 and name HG2) 2.648 0.876 0.876 weight 1.000 ! spec=c13n...li-5, no=854, id=1754, vol=3.816200e+00 or (segid " " and resid 811 and name HD2) (segid " " and resid 811 and name HG1) or (segid " " and resid 811 and name HD2) (segid " " and resid 811 and name HG2) assign (segid " " and resid 788 and name HA2) (segid " " and resid 817 and name HA) 2.679 0.897 3.321 weight 1.000 ! spec=c13n...li-5, no=923, id=1816, vol=3.557400e+00 or (segid " " and resid 787 and name HA) (segid " " and resid 788 and name HA2) assign (segid " " and resid 803 and name HA2) (segid " " and resid 799 and name HG2) 2.876 1.034 1.034 weight 1.000 ! spec=c13n...li-5, no=931, id=1822, vol=2.325300e+00 or (segid " " and resid 803 and name HA2) (segid " " and resid 799 and name HG1) assign (segid " " and resid 803 and name HA1) (segid " " and resid 799 and name HG1) 3.075 1.182 1.182 weight 1.000 ! spec=c13n...li-5, no=945, id=1833, vol=1.556100e+00 or (segid " " and resid 803 and name HA1) (segid " " and resid 799 and name HG2) assign (segid " " and resid 727 and name HB1) (segid " " and resid 727 and name HD21) 2.088 0.545 0.545 weight 1.000 ! spec=c13n...li-5, no=988, id=1867, vol=1.587090e+01 or (segid " " and resid 727 and name HB1) (segid " " and resid 727 and name HD11) or (segid " " and resid 727 and name HB2) (segid " " and resid 727 and name HD21) assign (segid " " and resid 819 and name HD1) (segid " " and resid 787 and name HA) 2.912 1.060 1.060 weight 1.000 ! spec=c13n...li-5, no=1032, id=1905, vol=2.156800e+00 or (segid " " and resid 819 and name HD2) (segid " " and resid 787 and name HA) assign (segid " " and resid 718 and name HA) (segid " " and resid 718 and name HD1) 2.362 0.698 0.698 weight 1.000 ! spec=c13n...li-5, no=1034, id=1906, vol=7.567600e+00 or (segid " " and resid 718 and name HA) (segid " " and resid 718 and name HD2) assign (segid " " and resid 718 and name HD1) (segid " " and resid 718 and name HG2) 1.968 0.484 0.484 weight 1.000 ! spec=c13n...li-5, no=1038, id=1908, vol=2.261100e+01 or (segid " " and resid 819 and name HD1) (segid " " and resid 819 and name HG1) or (segid " " and resid 819 and name HD2) (segid " " and resid 819 and name HG1) or (segid " " and resid 819 and name HD2) (segid " " and resid 819 and name HG2) assign (segid " " and resid 819 and name HA) (segid " " and resid 819 and name HD1) 2.722 0.926 0.926 weight 1.000 ! spec=c13n...li-5, no=1039, id=1909, vol=3.232300e+00 or (segid " " and resid 819 and name HD2) (segid " " and resid 819 and name HA) assign (segid " " and resid 765 and name HA) (segid " " and resid 765 and name HD1) 2.645 0.875 3.355 weight 1.000 ! spec=c13n...li-5, no=1042, id=1912, vol=3.838800e+00 or (segid " " and resid 765 and name HA) (segid " " and resid 765 and name HD2) assign (segid " " and resid 765 and name HD2) (segid " " and resid 765 and name HB2) 2.045 0.523 3.955 weight 1.000 ! spec=c13n...li-5, no=1044, id=1913, vol=1.797860e+01 or (segid " " and resid 765 and name HD1) (segid " " and resid 765 and name HB2) assign (segid " " and resid 765 and name HD1) (segid " " and resid 765 and name HB1) 2.029 0.515 0.515 weight 1.000 ! spec=c13n...li-5, no=1045, id=1914, vol=1.884830e+01 or (segid " " and resid 765 and name HD2) (segid " " and resid 765 and name HB1) assign (segid " " and resid 765 and name HD1) (segid " " and resid 765 and name HG1) 1.979 0.489 0.489 weight 1.000 ! spec=c13n...li-5, no=1046, id=1915, vol=2.191740e+01 or (segid " " and resid 765 and name HD1) (segid " " and resid 765 and name HG2) or (segid " " and resid 765 and name HD2) (segid " " and resid 765 and name HG2) assign (segid " " and resid 765 and name HD2) (segid " " and resid 758 and name HG21) 2.303 0.663 0.663 weight 1.000 ! spec=c13n...li-5, no=1047, id=1916, vol=8.817600e+00 or (segid " " and resid 765 and name HD1) (segid " " and resid 758 and name HG21) assign (segid " " and resid 818 and name HD2) (segid " " and resid 818 and name HG1) 2.713 0.920 0.920 weight 1.000 ! spec=c13n...li-5, no=1077, id=1941, vol=3.297800e+00 or (segid " " and resid 818 and name HD2) (segid " " and resid 818 and name HG2) assign (segid " " and resid 717 and name HB2) (segid " " and resid 717 and name HD11) 2.172 0.590 0.590 weight 1.000 ! spec=c13n...li-5, no=1127, id=1979, vol=1.251880e+01 or (segid " " and resid 717 and name HB1) (segid " " and resid 717 and name HD11) assign (segid " " and resid 798 and name HB) (segid " " and resid 798 and name HG21) 2.332 0.680 0.680 weight 1.000 ! spec=c13n...li-5, no=1129, id=1981, vol=8.173000e+00 or (segid " " and resid 798 and name HB) (segid " " and resid 798 and name HD11) assign (segid " " and resid 795 and name HB2) (segid " " and resid 795 and name HB1) 1.912 0.457 0.457 weight 1.000 ! spec=c13n...li-5, no=1147, id=1995, vol=2.693330e+01 or (segid " " and resid 725 and name HB2) (segid " " and resid 725 and name HB1) assign (segid " " and resid 774 and name HE1) (segid " " and resid 774 and name HD1) 1.458 0.266 4.542 weight 1.000 ! spec=c13n...li-5, no=1158, id=2004, vol=1.369995e+02 or (segid " " and resid 774 and name HE1) (segid " " and resid 774 and name HD2) or (segid " " and resid 774 and name HE2) (segid " " and resid 774 and name HD2) assign (segid " " and resid 774 and name HE2) (segid " " and resid 774 and name HG2) 1.957 0.479 0.479 weight 1.000 ! spec=c13n...li-5, no=1160, id=2006, vol=2.341010e+01 or (segid " " and resid 774 and name HE1) (segid " " and resid 774 and name HG2) assign (segid " " and resid 732 and name HA) (segid " " and resid 732 and name HE1) 2.798 0.979 0.979 weight 1.000 ! spec=c13n...li-5, no=1161, id=2007, vol=2.739400e+00 or (segid " " and resid 732 and name HA) (segid " " and resid 732 and name HE2) assign (segid " " and resid 766 and name HE2) (segid " " and resid 766 and name HG2) 1.881 0.442 0.442 weight 1.000 ! spec=c13n...li-5, no=1162, id=2008, vol=2.972630e+01 or (segid " " and resid 799 and name HE2) (segid " " and resid 799 and name HG2) or (segid " " and resid 732 and name HE2) (segid " " and resid 732 and name HG2) assign (segid " " and resid 758 and name HB) (segid " " and resid 758 and name HG21) 2.097 0.550 0.550 weight 1.000 ! spec=c13n...li-5, no=1168, id=2013, vol=1.546790e+01 or (segid " " and resid 758 and name HB) (segid " " and resid 758 and name HG11) assign (segid " " and resid 735 and name HB1) (segid " " and resid 819 and name HB1) 2.977 1.108 1.108 weight 1.000 ! spec=c13n...li-5, no=1181, id=2023, vol=1.887900e+00 or (segid " " and resid 735 and name HB1) (segid " " and resid 819 and name HB2) assign (segid " " and resid 799 and name HE1) (segid " " and resid 799 and name HD2) 1.553 0.301 0.301 weight 1.000 ! spec=c13n...li-5, no=1189, id=2028, vol=9.393060e+01 or (segid " " and resid 771 and name HE1) (segid " " and resid 771 and name HD1) or (segid " " and resid 771 and name HE2) (segid " " and resid 771 and name HD2) or (segid " " and resid 726 and name HE2) (segid " " and resid 726 and name HD1) or (segid " " and resid 766 and name HE1) (segid " " and resid 766 and name HD2) assign (segid " " and resid 771 and name HE2) (segid " " and resid 771 and name HG2) 1.882 0.443 0.443 weight 1.000 ! spec=c13n...li-5, no=1190, id=2029, vol=2.960720e+01 or (segid " " and resid 726 and name HE1) (segid " " and resid 726 and name HG2) or (segid " " and resid 732 and name HE2) (segid " " and resid 732 and name HG2) or (segid " " and resid 771 and name HE2) (segid " " and resid 771 and name HG1) assign (segid " " and resid 771 and name HE1) (segid " " and resid 752 and name HG21) 2.091 0.546 0.546 weight 1.000 ! spec=c13n...li-5, no=1191, id=2030, vol=1.574710e+01 or (segid " " and resid 771 and name HE2) (segid " " and resid 752 and name HG21) assign (segid " " and resid 726 and name HA) (segid " " and resid 726 and name HE1) 2.591 0.839 0.839 weight 1.000 ! spec=c13n...li-5, no=1215, id=2049, vol=4.348600e+00 or (segid " " and resid 726 and name HA) (segid " " and resid 726 and name HE2) assign (segid " " and resid 791 and name HB2) (segid " " and resid 815 and name HD11) 2.951 1.088 1.088 weight 1.000 ! spec=c13n...li-5, no=1219, id=2052, vol=1.992800e+00 or (segid " " and resid 791 and name HB1) (segid " " and resid 815 and name HD11) assign (segid " " and resid 790 and name HB2) (segid " " and resid 791 and name HA) 3.103 1.204 1.204 weight 1.000 ! spec=c13n...li-5, no=1221, id=2054, vol=1.473600e+00 or (segid " " and resid 790 and name HB1) (segid " " and resid 791 and name HA) assign (segid " " and resid 781 and name HE2) (segid " " and resid 781 and name HB1) 2.291 0.656 0.656 weight 1.000 ! spec=c13n...li-5, no=1224, id=2056, vol=9.107900e+00 or (segid " " and resid 781 and name HE1) (segid " " and resid 781 and name HB2) or (segid " " and resid 781 and name HE2) (segid " " and resid 781 and name HB2) assign (segid " " and resid 781 and name HE1) (segid " " and resid 781 and name HD2) 1.904 0.453 0.453 weight 1.000 ! spec=c13n...li-5, no=1225, id=2057, vol=2.762130e+01 or (segid " " and resid 781 and name HE1) (segid " " and resid 781 and name HD1) or (segid " " and resid 781 and name HE2) (segid " " and resid 781 and name HD1) assign (segid " " and resid 781 and name HE2) (segid " " and resid 781 and name HG2) 2.010 0.505 0.505 weight 1.000 ! spec=c13n...li-5, no=1226, id=2058, vol=1.993390e+01 or (segid " " and resid 781 and name HE1) (segid " " and resid 781 and name HG2) or (segid " " and resid 781 and name HE2) (segid " " and resid 781 and name HG1) assign (segid " " and resid 781 and name HE1) (segid " " and resid 779 and name HG21) 2.652 0.879 2.400 weight 1.000 ! spec=c13n...li-5, no=1227, id=2059, vol=3.781700e+00 or (segid " " and resid 781 and name HE2) (segid " " and resid 779 and name HG21) assign (segid " " and resid 790 and name HB2) (segid " " and resid 760 and name HG21) 2.592 0.840 0.840 weight 1.000 ! spec=c13n...li-5, no=1230, id=2062, vol=4.334700e+00 or (segid " " and resid 790 and name HB1) (segid " " and resid 760 and name HG21) assign (segid " " and resid 785 and name HB1) (segid " " and resid 817 and name HG21) 2.855 1.019 1.019 weight 1.000 ! spec=c13n...li-5, no=1251, id=2080, vol=2.431100e+00 or (segid " " and resid 785 and name HB2) (segid " " and resid 817 and name HG21) assign (segid " " and resid 757 and name HB) (segid " " and resid 757 and name HG21) 2.245 0.630 0.630 weight 1.000 ! spec=c13n...li-5, no=1261, id=2088, vol=1.026980e+01 or (segid " " and resid 757 and name HB) (segid " " and resid 757 and name HG11) assign (segid " " and resid 773 and name HB) (segid " " and resid 773 and name HG11) 2.734 0.934 0.934 weight 1.000 ! spec=c13n...li-5, no=1274, id=2099, vol=3.152400e+00 or (segid " " and resid 773 and name HB) (segid " " and resid 773 and name HG12) assign (segid " " and resid 770 and name HB) (segid " " and resid 770 and name HG11) 2.175 0.591 0.591 weight 1.000 ! spec=c13n...li-5, no=1293, id=2113, vol=1.244010e+01 or (segid " " and resid 770 and name HB) (segid " " and resid 770 and name HG12) assign (segid " " and resid 772 and name HG2) (segid " " and resid 774 and name HE2) 3.141 1.233 1.233 weight 1.000 ! spec=c13n...li-5, no=1307, id=2125, vol=1.369700e+00 or (segid " " and resid 772 and name HG2) (segid " " and resid 774 and name HE1) assign (segid " " and resid 772 and name HG1) (segid " " and resid 774 and name HE2) 3.023 1.142 2.977 weight 1.000 ! spec=c13n...li-5, no=1312, id=2129, vol=1.724800e+00 or (segid " " and resid 772 and name HG1) (segid " " and resid 774 and name HE1) assign (segid " " and resid 799 and name HB2) (segid " " and resid 799 and name HG2) 2.663 0.886 0.886 weight 1.000 ! spec=c13n...li-5, no=1321, id=2135, vol=3.690600e+00 or (segid " " and resid 799 and name HB2) (segid " " and resid 799 and name HG1) assign (segid " " and resid 772 and name HG2) (segid " " and resid 772 and name HB1) 1.901 0.452 0.452 weight 1.000 ! spec=c13n...li-5, no=1337, id=2149, vol=2.789980e+01 or (segid " " and resid 777 and name HG2) (segid " " and resid 777 and name HB2) assign (segid " " and resid 766 and name HB2) (segid " " and resid 766 and name HE2) 2.897 1.049 1.049 weight 1.000 ! spec=c13n...li-5, no=1353, id=2157, vol=2.226900e+00 or (segid " " and resid 766 and name HB2) (segid " " and resid 766 and name HE1) or (segid " " and resid 766 and name HB1) (segid " " and resid 766 and name HE2) assign (segid " " and resid 766 and name HB2) (segid " " and resid 766 and name HG1) 2.304 0.663 0.663 weight 1.000 ! spec=c13n...li-5, no=1356, id=2159, vol=8.802600e+00 or (segid " " and resid 766 and name HB1) (segid " " and resid 766 and name HG1) assign (segid " " and resid 746 and name HB2) (segid " " and resid 746 and name HG1) 2.183 0.596 0.596 weight 1.000 ! spec=c13n...li-5, no=1358, id=2161, vol=1.214360e+01 or (segid " " and resid 746 and name HB2) (segid " " and resid 746 and name HG2) assign (segid " " and resid 746 and name HB1) (segid " " and resid 746 and name HG2) 2.416 0.729 0.729 weight 1.000 ! spec=c13n...li-5, no=1364, id=2165, vol=6.621900e+00 or (segid " " and resid 746 and name HB1) (segid " " and resid 746 and name HG1) assign (segid " " and resid 743 and name HB) (segid " " and resid 743 and name HG11) 2.012 0.506 0.506 weight 1.000 ! spec=c13n...li-5, no=1370, id=2169, vol=1.983690e+01 or (segid " " and resid 743 and name HB) (segid " " and resid 743 and name HG21) assign (segid " " and resid 750 and name HB2) (segid " " and resid 774 and name HE2) 2.989 1.116 1.116 weight 1.000 ! spec=c13n...li-5, no=1378, id=2177, vol=1.846400e+00 or (segid " " and resid 750 and name HB2) (segid " " and resid 774 and name HE1) assign (segid " " and resid 771 and name HB2) (segid " " and resid 771 and name HE2) 3.124 1.220 1.220 weight 1.000 ! spec=c13n...li-5, no=1393, id=2190, vol=1.415000e+00 or (segid " " and resid 771 and name HB2) (segid " " and resid 771 and name HE1) assign (segid " " and resid 771 and name HB2) (segid " " and resid 771 and name HG1) 2.577 0.830 0.830 weight 1.000 ! spec=c13n...li-5, no=1394, id=2191, vol=4.487500e+00 or (segid " " and resid 771 and name HB2) (segid " " and resid 771 and name HG2) assign (segid " " and resid 748 and name HG1) (segid " " and resid 748 and name HB2) 2.120 0.562 0.562 weight 1.000 ! spec=c13n...li-5, no=1430, id=2218, vol=1.449640e+01 or (segid " " and resid 748 and name HG2) (segid " " and resid 748 and name HB2) or (segid " " and resid 748 and name HG2) (segid " " and resid 748 and name HB1) assign (segid " " and resid 774 and name HB2) (segid " " and resid 774 and name HE2) 3.038 1.154 1.154 weight 1.000 ! spec=c13n...li-5, no=1446, id=2232, vol=1.673700e+00 or (segid " " and resid 774 and name HB2) (segid " " and resid 774 and name HE1) assign (segid " " and resid 719 and name HB) (segid " " and resid 719 and name HG21) 1.814 0.411 4.186 weight 1.000 ! spec=c13n...li-5, no=1448, id=2234, vol=3.693950e+01 or (segid " " and resid 719 and name HB) (segid " " and resid 719 and name HG11) assign (segid " " and resid 805 and name HA) (segid " " and resid 805 and name HB) 2.300 0.661 0.661 weight 1.000 ! spec=c13n...li-5, no=1451, id=2237, vol=8.880400e+00 or (segid " " and resid 818 and name HA) (segid " " and resid 818 and name HB2) assign (segid " " and resid 818 and name HB2) (segid " " and resid 818 and name HG1) 2.534 0.802 0.802 weight 1.000 ! spec=c13n...li-5, no=1453, id=2238, vol=4.972000e+00 or (segid " " and resid 818 and name HB2) (segid " " and resid 818 and name HG2) assign (segid " " and resid 769 and name HB2) (segid " " and resid 754 and name HG21) 2.473 0.764 3.527 weight 1.000 ! spec=c13n...li-5, no=1481, id=2257, vol=5.754400e+00 or (segid " " and resid 769 and name HB2) (segid " " and resid 752 and name HG21) assign (segid " " and resid 742 and name HB1) (segid " " and resid 726 and name HE2) 2.790 0.973 3.210 weight 1.000 ! spec=c13n...li-5, no=1483, id=2259, vol=2.788300e+00 or (segid " " and resid 742 and name HB1) (segid " " and resid 726 and name HE1) assign (segid " " and resid 814 and name HB2) (segid " " and resid 814 and name HG1) 2.344 0.687 0.687 weight 1.000 ! spec=c13n...li-5, no=1484, id=2260, vol=7.934100e+00 or (segid " " and resid 774 and name HB1) (segid " " and resid 774 and name HG2) assign (segid " " and resid 721 and name HB2) (segid " " and resid 798 and name HD11) 2.623 0.860 3.377 weight 1.000 ! spec=c13n...li-5, no=1503, id=2278, vol=4.037000e+00 or (segid " " and resid 721 and name HB2) (segid " " and resid 798 and name HG21) assign (segid " " and resid 781 and name HE2) (segid " " and resid 781 and name HB2) 2.615 0.855 0.855 weight 1.000 ! spec=c13n...li-5, no=1523, id=2296, vol=4.110200e+00 or (segid " " and resid 781 and name HE2) (segid " " and resid 781 and name HB1) assign (segid " " and resid 781 and name HB2) (segid " " and resid 781 and name HG1) 2.127 0.565 0.565 weight 1.000 ! spec=c13n...li-5, no=1525, id=2297, vol=1.421600e+01 or (segid " " and resid 781 and name HB1) (segid " " and resid 781 and name HG1) or (segid " " and resid 781 and name HB1) (segid " " and resid 781 and name HG2) assign (segid " " and resid 819 and name HB1) (segid " " and resid 819 and name HD1) 2.097 0.549 0.549 weight 1.000 ! spec=c13n...li-5, no=1599, id=2359, vol=1.548830e+01 or (segid " " and resid 819 and name HB1) (segid " " and resid 819 and name HD2) or (segid " " and resid 718 and name HD2) (segid " " and resid 718 and name HB2) assign (segid " " and resid 774 and name HD2) (segid " " and resid 750 and name HD2) 2.992 1.119 1.119 weight 1.000 ! spec=c13n...li-5, no=1645, id=2387, vol=1.833400e+00 or (segid " " and resid 774 and name HD1) (segid " " and resid 750 and name HD2) assign (segid " " and resid 748 and name HB2) (segid " " and resid 748 and name HA) 2.118 0.561 0.561 weight 1.000 ! spec=c13n...li-5, no=1653, id=2394, vol=1.457830e+01 or (segid " " and resid 748 and name HA) (segid " " and resid 748 and name HB1) assign (segid " " and resid 748 and name HG1) (segid " " and resid 748 and name HB2) 2.242 0.628 0.628 weight 1.000 ! spec=c13n...li-5, no=1654, id=2395, vol=1.034890e+01 or (segid " " and resid 748 and name HG2) (segid " " and resid 748 and name HB2) assign (segid " " and resid 748 and name HG1) (segid " " and resid 748 and name HB1) 2.310 0.667 0.667 weight 1.000 ! spec=c13n...li-5, no=1657, id=2397, vol=8.667700e+00 or (segid " " and resid 748 and name HG2) (segid " " and resid 748 and name HB1) assign (segid " " and resid 766 and name HD1) (segid " " and resid 766 and name HA) 2.502 0.783 0.783 weight 1.000 ! spec=c13n...li-5, no=1661, id=2400, vol=5.356600e+00 or (segid " " and resid 766 and name HD2) (segid " " and resid 766 and name HA) assign (segid " " and resid 766 and name HE1) (segid " " and resid 766 and name HD2) 1.740 0.378 0.378 weight 1.000 ! spec=c13n...li-5, no=1663, id=2402, vol=4.745920e+01 or (segid " " and resid 726 and name HE2) (segid " " and resid 726 and name HD1) or (segid " " and resid 771 and name HE2) (segid " " and resid 771 and name HD2) or (segid " " and resid 771 and name HE1) (segid " " and resid 771 and name HD2) or (segid " " and resid 771 and name HE1) (segid " " and resid 771 and name HD1) or (segid " " and resid 726 and name HD2) (segid " " and resid 726 and name HE1) or (segid " " and resid 766 and name HD1) (segid " " and resid 766 and name HE1) or (segid " " and resid 766 and name HD1) (segid " " and resid 766 and name HE2) assign (segid " " and resid 746 and name HD2) (segid " " and resid 746 and name HA) 2.892 1.045 1.045 weight 1.000 ! spec=c13n...li-5, no=1665, id=2404, vol=2.250200e+00 or (segid " " and resid 746 and name HD1) (segid " " and resid 746 and name HA) assign (segid " " and resid 746 and name HD2) (segid " " and resid 746 and name HE2) 1.964 0.482 0.482 weight 1.000 ! spec=c13n...li-5, no=1666, id=2405, vol=2.292380e+01 or (segid " " and resid 746 and name HD1) (segid " " and resid 746 and name HE1) or (segid " " and resid 746 and name HD2) (segid " " and resid 746 and name HE1) assign (segid " " and resid 764 and name HD2) (segid " " and resid 764 and name HA) 2.736 0.936 3.264 weight 1.000 ! spec=c13n...li-5, no=1678, id=2414, vol=3.134800e+00 or (segid " " and resid 764 and name HA) (segid " " and resid 764 and name HD1) assign (segid " " and resid 726 and name HD1) (segid " " and resid 726 and name HA) 2.859 1.021 3.141 weight 1.000 ! spec=c13n...li-5, no=1679, id=2415, vol=2.410600e+00 or (segid " " and resid 726 and name HD2) (segid " " and resid 726 and name HA) assign (segid " " and resid 781 and name HD2) (segid " " and resid 781 and name HG2) 2.072 0.537 0.537 weight 1.000 ! spec=c13n...li-5, no=1685, id=2420, vol=1.662110e+01 or (segid " " and resid 781 and name HD2) (segid " " and resid 781 and name HG1) or (segid " " and resid 781 and name HD1) (segid " " and resid 781 and name HG2) or (segid " " and resid 781 and name HD1) (segid " " and resid 781 and name HG1) assign (segid " " and resid 758 and name HB) (segid " " and resid 758 and name HG11) 2.553 0.815 0.815 weight 1.000 ! spec=c13n...li-5, no=1689, id=2424, vol=4.745500e+00 or (segid " " and resid 758 and name HG11) (segid " " and resid 792 and name HB) assign (segid " " and resid 758 and name HG11) (segid " " and resid 765 and name HD2) 3.113 1.211 1.211 weight 1.000 ! spec=c13n...li-5, no=1693, id=2427, vol=1.446200e+00 or (segid " " and resid 758 and name HG11) (segid " " and resid 765 and name HD1) assign (segid " " and resid 793 and name HG) (segid " " and resid 793 and name HD21) 2.360 0.696 0.696 weight 1.000 ! spec=c13n...li-5, no=1704, id=2438, vol=7.612900e+00 or (segid " " and resid 793 and name HG) (segid " " and resid 793 and name HD11) assign (segid " " and resid 742 and name HA) (segid " " and resid 742 and name HG2) 2.967 1.101 1.101 weight 1.000 ! spec=c13n...li-5, no=1756, id=2488, vol=1.927000e+00 or (segid " " and resid 742 and name HA) (segid " " and resid 742 and name HG1) assign (segid " " and resid 735 and name HG) (segid " " and resid 735 and name HD11) 2.076 0.539 0.539 weight 1.000 ! spec=c13n...li-5, no=1776, id=2506, vol=1.641260e+01 or (segid " " and resid 792 and name HG12) (segid " " and resid 792 and name HD11) assign (segid " " and resid 772 and name HB2) (segid " " and resid 774 and name HE1) 2.932 1.074 1.074 weight 1.000 ! spec=c13n...li-5, no=1809, id=2531, vol=2.072100e+00 or (segid " " and resid 772 and name HB2) (segid " " and resid 774 and name HE2) assign (segid " " and resid 718 and name HD1) (segid " " and resid 718 and name HG2) 2.299 0.661 0.661 weight 1.000 ! spec=c13n...li-5, no=1815, id=2534, vol=8.912200e+00 or (segid " " and resid 718 and name HG2) (segid " " and resid 718 and name HD2) or (segid " " and resid 718 and name HG1) (segid " " and resid 718 and name HD1) assign (segid " " and resid 731 and name HG) (segid " " and resid 731 and name HD11) 2.092 0.547 0.547 weight 1.000 ! spec=c13n...li-5, no=1841, id=2556, vol=1.570140e+01 or (segid " " and resid 731 and name HG) (segid " " and resid 731 and name HD21) assign (segid " " and resid 718 and name HG2) (segid " " and resid 718 and name HB1) 1.924 0.463 0.463 weight 1.000 ! spec=c13n...li-5, no=1845, id=2560, vol=2.595860e+01 or (segid " " and resid 718 and name HG2) (segid " " and resid 718 and name HB2) or (segid " " and resid 718 and name HG1) (segid " " and resid 718 and name HB1) assign (segid " " and resid 765 and name HB1) (segid " " and resid 765 and name HG2) 2.421 0.733 0.733 weight 1.000 ! spec=c13n...li-5, no=1865, id=2578, vol=6.534800e+00 or (segid " " and resid 765 and name HB1) (segid " " and resid 765 and name HG1) assign (segid " " and resid 770 and name HG11) (segid " " and resid 755 and name HE1) 2.706 0.915 3.294 weight 1.000 ! spec=c13n...li-5, no=1874, id=2586, vol=3.349900e+00 or (segid " " and resid 770 and name HG12) (segid " " and resid 755 and name HE1) assign (segid " " and resid 770 and name HG11) (segid " " and resid 770 and name HD11) 2.172 0.590 0.590 weight 1.000 ! spec=c13n...li-5, no=1875, id=2587, vol=1.253770e+01 or (segid " " and resid 770 and name HG12) (segid " " and resid 770 and name HD11) assign (segid " " and resid 793 and name HB1) (segid " " and resid 793 and name HD11) 2.340 0.684 0.684 weight 1.000 ! spec=c13n...li-5, no=1886, id=2597, vol=8.019400e+00 or (segid " " and resid 757 and name HG12) (segid " " and resid 793 and name HD11) assign (segid " " and resid 753 and name HD21) (segid " " and resid 753 and name HD11) 2.236 0.625 3.764 weight 1.000 ! spec=c13n...li-5, no=1907, id=2613, vol=1.052420e+01 or (segid " " and resid 795 and name HD11) (segid " " and resid 753 and name HD11) assign (segid " " and resid 733 and name HD21) (segid " " and resid 733 and name HG) 2.247 0.631 0.631 weight 1.000 ! spec=c13n...li-5, no=1919, id=2623, vol=1.023190e+01 or (segid " " and resid 733 and name HB1) (segid " " and resid 733 and name HD21) assign (segid " " and resid 720 and name HG1) (segid " " and resid 720 and name HB2) 1.980 0.490 0.490 weight 1.000 ! spec=c13n...li-5, no=1939, id=2638, vol=2.186040e+01 or (segid " " and resid 774 and name HG1) (segid " " and resid 774 and name HD2) or (segid " " and resid 774 and name HG1) (segid " " and resid 774 and name HD1) assign (segid " " and resid 814 and name HB1) (segid " " and resid 814 and name HG2) 1.888 0.445 0.445 weight 1.000 ! spec=c13n...li-5, no=1946, id=2644, vol=2.906790e+01 or (segid " " and resid 764 and name HB1) (segid " " and resid 764 and name HG2) assign (segid " " and resid 764 and name HG2) (segid " " and resid 764 and name HB2) 2.247 0.631 0.631 weight 1.000 ! spec=c13n...li-5, no=1947, id=2645, vol=1.021150e+01 or (segid " " and resid 771 and name HB2) (segid " " and resid 771 and name HG1) assign (segid " " and resid 771 and name HE2) (segid " " and resid 771 and name HG1) 2.299 0.661 0.661 weight 1.000 ! spec=c13n...li-5, no=1949, id=2647, vol=8.911400e+00 or (segid " " and resid 771 and name HG1) (segid " " and resid 771 and name HE1) or (segid " " and resid 771 and name HE2) (segid " " and resid 771 and name HG2) assign (segid " " and resid 766 and name HB2) (segid " " and resid 766 and name HG1) 2.119 0.561 0.561 weight 1.000 ! spec=c13n...li-5, no=1957, id=2655, vol=1.452920e+01 or (segid " " and resid 766 and name HB1) (segid " " and resid 766 and name HG1) or (segid " " and resid 766 and name HG1) (segid " " and resid 766 and name HD1) assign (segid " " and resid 771 and name HE2) (segid " " and resid 771 and name HG1) 2.229 0.621 0.621 weight 1.000 ! spec=c13n...li-5, no=1971, id=2668, vol=1.071150e+01 or (segid " " and resid 732 and name HE2) (segid " " and resid 732 and name HG2) or (segid " " and resid 771 and name HE2) (segid " " and resid 771 and name HG2) assign (segid " " and resid 774 and name HG1) (segid " " and resid 774 and name HG2) 1.839 0.423 0.423 weight 1.000 ! spec=c13n...li-5, no=1974, id=2670, vol=3.396050e+01 or (segid " " and resid 766 and name HG2) (segid " " and resid 766 and name HB1) assign (segid " " and resid 726 and name HG1) (segid " " and resid 726 and name HE2) 2.109 0.556 0.556 weight 1.000 ! spec=c13n...li-5, no=1983, id=2677, vol=1.496130e+01 or (segid " " and resid 766 and name HE2) (segid " " and resid 766 and name HG2) or (segid " " and resid 799 and name HE2) (segid " " and resid 799 and name HG2) assign (segid " " and resid 735 and name HB1) (segid " " and resid 735 and name HD11) 2.257 0.637 0.637 weight 1.000 ! spec=c13n...li-5, no=1988, id=2682, vol=9.938100e+00 or (segid " " and resid 735 and name HG) (segid " " and resid 735 and name HD11) assign (segid " " and resid 746 and name HG1) (segid " " and resid 746 and name HA) 2.441 0.745 0.745 weight 1.000 ! spec=c13n...li-5, no=1992, id=2686, vol=6.216500e+00 or (segid " " and resid 746 and name HA) (segid " " and resid 746 and name HG2) assign (segid " " and resid 781 and name HG2) (segid " " and resid 738 and name HD2) 2.626 0.862 0.862 weight 1.000 ! spec=c13n...li-5, no=1993, id=2687, vol=4.011400e+00 or (segid " " and resid 781 and name HG1) (segid " " and resid 738 and name HD2) assign (segid " " and resid 727 and name HD21) (segid " " and resid 728 and name HA) 3.134 1.227 1.227 weight 1.000 ! spec=c13n...li-5, no=1997, id=2691, vol=1.389200e+00 or (segid " " and resid 727 and name HD11) (segid " " and resid 728 and name HA) assign (segid " " and resid 727 and name HB1) (segid " " and resid 727 and name HD21) 2.003 0.501 0.501 weight 1.000 ! spec=c13n...li-5, no=2000, id=2693, vol=2.038770e+01 or (segid " " and resid 727 and name HB2) (segid " " and resid 727 and name HD21) assign (segid " " and resid 799 and name HG1) (segid " " and resid 799 and name HE2) 3.015 1.136 1.136 weight 1.000 ! spec=c13n...li-5, no=2005, id=2697, vol=1.751100e+00 or (segid " " and resid 799 and name HG1) (segid " " and resid 799 and name HE1) assign (segid " " and resid 723 and name HB1) (segid " " and resid 795 and name HD11) 2.008 0.504 3.992 weight 1.000 ! spec=c13n...li-5, no=2028, id=2717, vol=2.005650e+01 or (segid " " and resid 723 and name HB1) (segid " " and resid 795 and name HD21) assign (segid " " and resid 779 and name HG21) (segid " " and resid 781 and name HG2) 3.019 1.139 2.981 weight 1.000 ! spec=c13n...li-5, no=2123, id=2803, vol=1.737800e+00 or (segid " " and resid 779 and name HG21) (segid " " and resid 781 and name HG1) assign (segid " " and resid 752 and name HG21) (segid " " and resid 771 and name HG1) 2.423 0.734 0.734 weight 1.000 ! spec=c13n...li-5, no=2132, id=2810, vol=6.496200e+00 or (segid " " and resid 752 and name HG21) (segid " " and resid 771 and name HG2) assign (segid " " and resid 754 and name HG21) (segid " " and resid 773 and name HG22) 2.617 0.856 3.383 weight 1.000 ! spec=c13n...li-5, no=2186, id=2859, vol=4.095100e+00 or (segid " " and resid 754 and name HG21) (segid " " and resid 773 and name HG21) or (segid " " and resid 754 and name HG21) (segid " " and resid 773 and name HG23) or (segid " " and resid 754 and name HG22) (segid " " and resid 773 and name HG22) or (segid " " and resid 754 and name HG22) (segid " " and resid 773 and name HG21) or (segid " " and resid 754 and name HG22) (segid " " and resid 773 and name HG23) or (segid " " and resid 754 and name HG23) (segid " " and resid 773 and name HG22) or (segid " " and resid 754 and name HG23) (segid " " and resid 773 and name HG21) or (segid " " and resid 754 and name HG23) (segid " " and resid 773 and name HG23) or (segid " " and resid 754 and name HG21) (segid " " and resid 780 and name HG22) or (segid " " and resid 754 and name HG21) (segid " " and resid 780 and name HG21) or (segid " " and resid 754 and name HG21) (segid " " and resid 780 and name HG23) or (segid " " and resid 754 and name HG22) (segid " " and resid 780 and name HG22) or (segid " " and resid 754 and name HG22) (segid " " and resid 780 and name HG21) or (segid " " and resid 754 and name HG22) (segid " " and resid 780 and name HG23) or (segid " " and resid 754 and name HG23) (segid " " and resid 780 and name HG22) or (segid " " and resid 754 and name HG23) (segid " " and resid 780 and name HG21) or (segid " " and resid 754 and name HG23) (segid " " and resid 780 and name HG23) assign (segid " " and resid 815 and name HG11) (segid " " and resid 815 and name HG21) 2.281 0.650 0.650 weight 1.000 ! spec=c13n...li-5, no=2219, id=2890, vol=9.333600e+00 or (segid " " and resid 815 and name HB) (segid " " and resid 815 and name HG21) assign (segid " " and resid 757 and name HG21) (segid " " and resid 766 and name HB2) 2.950 1.088 1.088 weight 1.000 ! spec=c13n...li-5, no=2228, id=2898, vol=1.993800e+00 or (segid " " and resid 757 and name HG21) (segid " " and resid 766 and name HB1) assign (segid " " and resid 770 and name HG11) (segid " " and resid 770 and name HG21) 2.433 0.740 3.567 weight 1.000 ! spec=c13n...li-5, no=2241, id=2909, vol=6.346100e+00 or (segid " " and resid 770 and name HG12) (segid " " and resid 770 and name HG21) assign (segid " " and resid 770 and name HG21) (segid " " and resid 771 and name HG1) 2.590 0.839 3.410 weight 1.000 ! spec=c13n...li-5, no=2242, id=2910, vol=4.354400e+00 or (segid " " and resid 770 and name HG21) (segid " " and resid 771 and name HG2) assign (segid " " and resid 793 and name HD21) (segid " " and resid 780 and name HD11) 2.240 0.627 3.760 weight 1.000 ! spec=c13n...li-5, no=2303, id=2967, vol=1.042230e+01 or (segid " " and resid 793 and name HD11) (segid " " and resid 780 and name HD11) assign (segid " " and resid 811 and name HD2) (segid " " and resid 811 and name HG2) 2.837 1.006 1.006 weight 1.000 ! spec=c13n...li-5, no=2381, id=3037, vol=2.523200e+00 or (segid " " and resid 811 and name HD2) (segid " " and resid 811 and name HG1) assign (segid " " and resid 742 and name HB2) (segid " " and resid 726 and name HA) 2.947 1.086 3.053 weight 1.000 ! spec=c13n...li-5, no=2407, id=3063, vol=2.006700e+00 or (segid " " and resid 742 and name HB2) (segid " " and resid 727 and name HA) assign (segid " " and resid 819 and name HB1) (segid " " and resid 819 and name HD2) 2.162 0.584 0.584 weight 1.000 ! spec=c13n...li-5, no=2409, id=3065, vol=1.288790e+01 or (segid " " and resid 819 and name HB1) (segid " " and resid 819 and name HD1) assign (segid " " and resid 770 and name HG12) (segid " " and resid 755 and name HE2) 3.199 1.279 1.279 weight 1.000 ! spec=c13n...li-5, no=2422, id=3077, vol=1.226600e+00 or (segid " " and resid 770 and name HG11) (segid " " and resid 755 and name HE2) assign (segid " " and resid 795 and name HD12) (segid " " and resid 724 and name HA) 2.768 0.957 0.957 weight 1.000 ! spec=c13n...li-5, no=2425, id=3080, vol=2.926800e+00 or (segid " " and resid 795 and name HD11) (segid " " and resid 724 and name HA) or (segid " " and resid 795 and name HD13) (segid " " and resid 724 and name HA) or (segid " " and resid 795 and name HD12) (segid " " and resid 808 and name HA) or (segid " " and resid 795 and name HD11) (segid " " and resid 808 and name HA) or (segid " " and resid 795 and name HD13) (segid " " and resid 808 and name HA) assign (segid " " and resid 746 and name HG1) (segid " " and resid 746 and name HE2) 2.391 0.714 0.714 weight 1.000 ! spec=c13n...li-5, no=2431, id=3086, vol=7.048500e+00 or (segid " " and resid 766 and name HE2) (segid " " and resid 766 and name HG2) or (segid " " and resid 766 and name HG2) (segid " " and resid 766 and name HE1) assign (segid " " and resid 758 and name HN) (segid " " and resid 757 and name HN) 3.219 1.295 1.295 weight 1.000 ! spec=n15noesy-4, no=2, id=1, vol=1.875600e+00 or (segid " " and resid 758 and name HN) (segid " " and resid 794 and name HN) assign (segid " " and resid 758 and name HN) (segid " " and resid 758 and name HG11) 2.706 0.915 0.915 weight 1.000 ! spec=n15noesy-4, no=11, id=10, vol=5.317000e+00 or (segid " " and resid 758 and name HN) (segid " " and resid 758 and name HG21) assign (segid " " and resid 791 and name HN) (segid " " and resid 791 and name HB2) 3.114 1.212 1.212 weight 1.000 ! spec=n15noesy-4, no=18, id=15, vol=2.287900e+00 or (segid " " and resid 791 and name HN) (segid " " and resid 791 and name HB1) assign (segid " " and resid 791 and name HN) (segid " " and resid 790 and name HB2) 2.851 1.016 1.016 weight 1.000 ! spec=n15noesy-4, no=19, id=16, vol=3.891100e+00 or (segid " " and resid 791 and name HN) (segid " " and resid 790 and name HB1) assign (segid " " and resid 748 and name HN) (segid " " and resid 749 and name HN) 2.941 1.081 1.081 weight 1.000 ! spec=n15noesy-4, no=25, id=18, vol=3.226200e+00 or (segid " " and resid 748 and name HN) (segid " " and resid 747 and name HN) assign (segid " " and resid 748 and name HN) (segid " " and resid 748 and name HB1) 2.436 0.742 0.742 weight 1.000 ! spec=n15noesy-4, no=33, id=26, vol=9.980100e+00 or (segid " " and resid 748 and name HN) (segid " " and resid 748 and name HB2) assign (segid " " and resid 756 and name HN) (segid " " and resid 794 and name HA) 3.079 1.185 1.185 weight 1.000 ! spec=n15noesy-4, no=40, id=31, vol=2.448700e+00 or (segid " " and resid 756 and name HN) (segid " " and resid 767 and name HA) assign (segid " " and resid 756 and name HN) (segid " " and resid 754 and name HG21) 3.315 1.374 2.685 weight 1.000 ! spec=n15noesy-4, no=44, id=35, vol=1.573500e+00 or (segid " " and resid 756 and name HN) (segid " " and resid 767 and name HG21) assign (segid " " and resid 795 and name HN) (segid " " and resid 795 and name HD21) 2.895 1.048 1.048 weight 1.000 ! spec=n15noesy-4, no=84, id=64, vol=3.546100e+00 or (segid " " and resid 795 and name HN) (segid " " and resid 795 and name HD11) assign (segid " " and resid 770 and name HN) (segid " " and resid 753 and name HB2) 2.628 0.864 0.864 weight 1.000 ! spec=n15noesy-4, no=95, id=74, vol=6.332500e+00 or (segid " " and resid 770 and name HN) (segid " " and resid 769 and name HB1) assign (segid " " and resid 770 and name HN) (segid " " and resid 770 and name HG11) 2.470 0.763 0.763 weight 1.000 ! spec=n15noesy-4, no=96, id=75, vol=9.191200e+00 or (segid " " and resid 770 and name HN) (segid " " and resid 770 and name HG12) assign (segid " " and resid 792 and name HN) (segid " " and resid 791 and name HB1) 2.893 1.046 1.046 weight 1.000 ! spec=n15noesy-4, no=106, id=84, vol=3.559700e+00 or (segid " " and resid 792 and name HN) (segid " " and resid 791 and name HB2) assign (segid " " and resid 741 and name HN) (segid " " and resid 780 and name HN) 2.728 0.930 0.930 weight 1.000 ! spec=n15noesy-4, no=114, id=92, vol=5.063100e+00 or (segid " " and resid 741 and name HN) (segid " " and resid 740 and name HN) assign (segid " " and resid 753 and name HN) (segid " " and resid 770 and name HG21) 3.049 1.162 1.162 weight 1.000 ! spec=n15noesy-4, no=133, id=108, vol=2.600100e+00 or (segid " " and resid 753 and name HN) (segid " " and resid 798 and name HD11) assign (segid " " and resid 793 and name HN) (segid " " and resid 792 and name HB) 2.886 1.041 1.041 weight 1.000 ! spec=n15noesy-4, no=160, id=130, vol=3.616600e+00 or (segid " " and resid 793 and name HN) (segid " " and resid 793 and name HG) assign (segid " " and resid 793 and name HN) (segid " " and resid 793 and name HD11) 3.318 1.376 1.376 weight 1.000 ! 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