NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1213 8.2549 119.6766 56.4900 31.4449 174.0979 2 H 4.9129 7.5823 111.9530 55.2791 29.4437 173.9650 3 Y 4.0633 7.8032 118.4109 59.2589 39.2499 175.7323 4 R 4.1601 7.5278 121.4482 54.8658 31.5474 173.6944 5 P 4.3528 0.0000 0.0000 62.4922 31.7632 175.5434 6 L 3.6714 8.4557 124.2998 54.0690 42.1921 174.9649 7 P 4.5566 0.0000 0.0000 61.2982 32.3220 173.9059 8 P 4.4141 0.0000 0.0000 62.2291 31.8444 176.5196 9 L 4.2177 8.2928 123.1458 53.7037 42.4194 175.2075 10 P 4.4234 0.0000 0.0000 63.1754 31.4691 176.1956 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 R 8.25 4.12 0.00 1.38 0.98 0.00 3.07 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.48 0.00 2 H 7.58 4.91 0.00 3.12 3.14 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 7.80 4.06 0.00 3.08 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.53 4.16 0.00 1.97 2.01 0.00 3.29 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 5 P 0.00 4.35 0.00 2.23 2.07 0.00 3.87 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 6 L 8.46 3.67 0.00 1.63 1.64 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.56 0.00 2.22 2.04 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 8 P 0.00 4.41 0.00 2.20 2.11 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 9 L 8.29 4.22 0.00 1.66 1.64 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.42 0.00 2.18 2.03 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00