Energy: bond 6.82185, angle 75.9282, dihedral 0, improper 12.9596, NOE 30.7869, c-dihedral 0.377104, planar 11.2312, VdW -272.878, elec -156.266, total -291.039 RMSD: bond 2.128274E-03, angle 0.63725, dihedral 0, improper 0.362077, NOE 1.821415E-02, c-dihedral 8.730925E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 1, c-dihedral 0 X-PLOR> Energy: bond 13.4799, angle 156.74, dihedral 0, improper 16.1502, NOE 73.7451, c-dihedral 7.72301, planar 14.2996, VdW -217.112, elec -151.646, total -86.6203 RMSD: bond 2.923283E-03, angle 0.856688, dihedral 0, improper 0.402924, NOE 2.818983E-02, c-dihedral 0.395114 Violations: bond 0, angle 5, dihedral 0, improper 0, NOE 7, c-dihedral 0 X-PLOR> Energy: bond 5.49434, angle 80.8167, dihedral 0, improper 11.5539, NOE 11.0032, c-dihedral 0.168536, planar 10.971, VdW -295.59, elec -150.824, total -326.407 RMSD: bond 1.885609E-03, angle 0.643418, dihedral 0, improper 0.335364, NOE 1.088895E-02, c-dihedral 5.836815E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 17.4186, angle 138.517, dihedral 0, improper 16.9854, NOE 214.993, c-dihedral 5.2163, planar 11.3582, VdW -249.783, elec -155.397, total -0.691197 RMSD: bond 3.314792E-03, angle 0.798054, dihedral 0, improper 0.395005, NOE 4.813252E-02, c-dihedral 0.324722 Violations: bond 0, angle 4, dihedral 0, improper 0, NOE 5, c-dihedral 0 X-PLOR> Energy: bond 5.56008, angle 79.9851, dihedral 0, improper 11.3117, NOE 9.74306, c-dihedral 8.297671E-02, planar 10.8271, VdW -294.217, elec -150.812, total -327.519 RMSD: bond 1.88621E-03, angle 0.636034, dihedral 0, improper 0.327116, NOE 1.024646E-02, c-dihedral 4.095508E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 7.3353, angle 77.8862, dihedral 0, improper 11.2836, NOE 38.8648, c-dihedral 0.536194, planar 10.8003, VdW -285.768, elec -160.194, total -299.256 RMSD: bond 2.186013E-03, angle 0.643811, dihedral 0, improper 0.332809, NOE 2.046466E-02, c-dihedral 0.10411 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 2, c-dihedral 0 X-PLOR> Energy: bond 47.9089, angle 302.448, dihedral 0, improper 53.7644, NOE 335.551, c-dihedral 20.0301, planar 12.2942, VdW -76.8289, elec -151.636, total 543.531 RMSD: bond 5.595598E-03, angle 1.12278, dihedral 0, improper 0.666547, NOE 6.013195E-02, c-dihedral 0.636313 Violations: bond 2, angle 9, dihedral 0, improper 1, NOE 12, c-dihedral 1 X-PLOR> Energy: bond 5.38235, angle 81.2672, dihedral 0, improper 11.4693, NOE 10.38, c-dihedral 0.224272, planar 11.1517, VdW -297.755, elec -156.622, total -334.502 RMSD: bond 1.871638E-03, angle 0.641118, dihedral 0, improper 0.329779, NOE 1.057607E-02, c-dihedral 6.733133E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 12.9795, angle 145.228, dihedral 0, improper 18.4764, NOE 104.509, c-dihedral 14.7462, planar 12.1111, VdW -230.48, elec -145.001, total -67.4298 RMSD: bond 2.948581E-03, angle 0.817938, dihedral 0, improper 0.45324, NOE 3.355854E-02, c-dihedral 0.545972 Violations: bond 0, angle 3, dihedral 0, improper 0, NOE 5, c-dihedral 1 X-PLOR> Energy: bond 14.1555, angle 146.412, dihedral 0, improper 16.6931, NOE 93.2807, c-dihedral 3.74333, planar 11.7385, VdW -199.13, elec -163.401, total -76.5086 RMSD: bond 2.968463E-03, angle 0.83363, dihedral 0, improper 0.41344, NOE 3.170457E-02, c-dihedral 0.27508 Violations: bond 0, angle 6, dihedral 0, improper 0, NOE 5, c-dihedral 0 X-PLOR> Energy: bond 5.3733, angle 80.3415, dihedral 0, improper 11.1568, NOE 10.4632, c-dihedral 0.201885, planar 11.2012, VdW -298.683, elec -159.944, total -339.888 RMSD: bond 1.857353E-03, angle 0.638548, dihedral 0, improper 0.325363, NOE 1.06184E-02, c-dihedral 6.388247E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 6.86849, angle 76.5621, dihedral 0, improper 12.9839, NOE 30.7148, c-dihedral 0.301037, planar 11.5348, VdW -273.004, elec -158.195, total -292.234 RMSD: bond 2.135129E-03, angle 0.637426, dihedral 0, improper 0.363439, NOE 1.819282E-02, c-dihedral 7.800802E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 1, c-dihedral 0 X-PLOR> Energy: bond 15.6069, angle 136.799, dihedral 0, improper 16.993, NOE 121.925, c-dihedral 1.01242, planar 11.1758, VdW -204.524, elec -141.84, total -42.8518 RMSD: bond 3.118086E-03, angle 0.823723, dihedral 0, improper 0.448135, NOE 3.624701E-02, c-dihedral 0.143057 Violations: bond 0, angle 2, dihedral 0, improper 0, NOE 8, c-dihedral 0 X-PLOR> Energy: bond 5.44256, angle 81.2518, dihedral 0, improper 11.2316, NOE 10.3389, c-dihedral 0.158032, planar 11.3796, VdW -299.278, elec -156.166, total -335.641 RMSD: bond 1.867033E-03, angle 0.64166, dihedral 0, improper 0.32578, NOE 1.055513E-02, c-dihedral 5.652006E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 7.83963, angle 103.102, dihedral 0, improper 16.5605, NOE 42.9527, c-dihedral 1.21144, planar 14.4401, VdW -264.943, elec -144.214, total -223.051 RMSD: bond 2.250803E-03, angle 0.717568, dihedral 0, improper 0.438425, NOE 2.151401E-02, c-dihedral 0.156488 Violations: bond 0, angle 2, dihedral 0, improper 0, NOE 3, c-dihedral 0 X-PLOR> Energy: bond 14.7665, angle 114.55, dihedral 0, improper 15.5392, NOE 102.098, c-dihedral 12.817, planar 11.244, VdW -221.362, elec -156.881, total -107.228 RMSD: bond 2.99944E-03, angle 0.744821, dihedral 0, improper 0.380885, NOE 3.316923E-02, c-dihedral 0.509005 Violations: bond 0, angle 1, dihedral 0, improper 0, NOE 5, c-dihedral 1 X-PLOR> Energy: bond 6.04426, angle 82.3145, dihedral 0, improper 11.3813, NOE 12.2905, c-dihedral 0.121711, planar 11.2325, VdW -301.139, elec -154.956, total -332.71 RMSD: bond 1.976642E-03, angle 0.647884, dihedral 0, improper 0.331282, NOE 1.15083E-02, c-dihedral 4.96014E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 5.55146, angle 81.9342, dihedral 0, improper 11.3297, NOE 9.79527, c-dihedral 0.28896, planar 10.8065, VdW -297.008, elec -158.362, total -335.664 RMSD: bond 1.896888E-03, angle 0.641563, dihedral 0, improper 0.325173, NOE 1.027387E-02, c-dihedral 7.642728E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 6.46286, angle 88.0539, dihedral 0, improper 11.9755, NOE 16.4402, c-dihedral 0.298963, planar 11.5966, VdW -284.158, elec -156.251, total -305.581 RMSD: bond 2.061992E-03, angle 0.676729, dihedral 0, improper 0.352732, NOE 1.331004E-02, c-dihedral 7.773894E-02 Violations: bond 0, angle 1, dihedral 0, improper 0, NOE 1, c-dihedral 0 X-PLOR> Energy: bond 5.34347, angle 80.531, dihedral 0, improper 11.2726, NOE 10.4319, c-dihedral 0.129335, planar 11.1576, VdW -297.78, elec -159.751, total -338.664 RMSD: bond 1.8552E-03, angle 0.640319, dihedral 0, improper 0.32678, NOE 1.060251E-02, c-dihedral 5.113147E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 8.05805, angle 87.5132, dihedral 0, improper 15.6142, NOE 33.9665, c-dihedral 1.77375, planar 11.7193, VdW -268.5, elec -140.585, total -250.44 RMSD: bond 2.28512E-03, angle 0.676461, dihedral 0, improper 0.402375, NOE 1.913161E-02, c-dihedral 0.189355 Violations: bond 0, angle 1, dihedral 0, improper 0, NOE 2, c-dihedral 0 X-PLOR> Energy: bond 5.38552, angle 79.8292, dihedral 0, improper 10.9971, NOE 10.6675, c-dihedral 0.195734, planar 11.2265, VdW -298.203, elec -162.185, total -342.086 RMSD: bond 1.863103E-03, angle 0.638561, dihedral 0, improper 0.321073, NOE 1.072153E-02, c-dihedral 6.290168E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 5.26856, angle 78.4088, dihedral 0, improper 10.8304, NOE 10.6594, c-dihedral 0.126883, planar 11.1955, VdW -296.969, elec -160.947, total -341.427 RMSD: bond 1.840111E-03, angle 0.635118, dihedral 0, improper 0.317483, NOE 1.071745E-02, c-dihedral 5.064444E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 5.62076, angle 81.751, dihedral 0, improper 11.3325, NOE 10.726, c-dihedral 9.574263E-02, planar 11.2148, VdW -296.91, elec -156.322, total -332.491 RMSD: bond 1.903787E-03, angle 0.644033, dihedral 0, improper 0.32811, NOE 1.07509E-02, c-dihedral 4.399287E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 6.02136, angle 79.8281, dihedral 0, improper 13.4188, NOE 21.3356, c-dihedral 0.969462, planar 11.5337, VdW -286.637, elec -162.914, total -316.444 RMSD: bond 1.991372E-03, angle 0.641434, dihedral 0, improper 0.39248, NOE 1.516277E-02, c-dihedral 0.139989 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 1, c-dihedral 0 X-PLOR> Energy: bond 7.081, angle 80.5539, dihedral 0, improper 19.1881, NOE 42.6479, c-dihedral 1.6066, planar 13.5833, VdW -267.533, elec -158.45, total -261.323 RMSD: bond 2.186578E-03, angle 0.640659, dihedral 0, improper 0.503011, NOE 2.143754E-02, c-dihedral 0.180212 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 3, c-dihedral 0 X-PLOR> Energy: bond 5.16548, angle 78.8711, dihedral 0, improper 11.0963, NOE 10.4088, c-dihedral 0.174039, planar 11.1508, VdW -295.94, elec -158.751, total -337.824 RMSD: bond 1.835891E-03, angle 0.633608, dihedral 0, improper 0.321732, NOE 1.059076E-02, c-dihedral 5.931346E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 6.30609, angle 79.3936, dihedral 0, improper 13.4801, NOE 23.1387, c-dihedral 1.03891, planar 11.4371, VdW -292.613, elec -164.211, total -322.029 RMSD: bond 2.008711E-03, angle 0.638578, dihedral 0, improper 0.383185, NOE 1.57905E-02, c-dihedral 0.144917 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 1, c-dihedral 0 X-PLOR> Energy: bond 3375.12, angle 1077.59, dihedral 0, improper 1351.19, NOE 5140.31, c-dihedral 190.518, planar 408.112, VdW 3321.4, elec -145.675, total 14718.6 RMSD: bond 5.118243E-02, angle 3.00728, dihedral 0, improper 4.65881, NOE 0.235354, c-dihedral 1.96244 Violations: bond 36, angle 50, dihedral 0, improper 53, NOE 108, c-dihedral 6 X-PLOR> Energy: bond 14.1521, angle 120.576, dihedral 0, improper 21.5735, NOE 74.0342, c-dihedral 8.24043, planar 11.2254, VdW -253.816, elec -155.755, total -159.77 RMSD: bond 2.976148E-03, angle 0.781102, dihedral 0, improper 0.519056, NOE 2.824505E-02, c-dihedral 0.408136 Violations: bond 0, angle 1, dihedral 0, improper 0, NOE 5, c-dihedral 0 X-PLOR>