NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7063 8.4549 120.6383 56.5598 44.7806 172.8078 2 S 4.4912 8.3364 121.1187 56.8483 66.5574 172.2850 3 C 4.9101 9.0266 123.2188 54.5634 47.1322 173.9448 4 S 4.1211 8.6246 116.5218 61.1842 62.4091 175.5116 5 S 4.5613 7.6372 121.0352 56.1421 63.6002 174.4475 6 L 3.9426 8.5688 126.3531 57.8079 41.8053 179.0434 7 M 4.0392 8.1949 117.2832 58.5730 32.2581 176.0417 8 D 4.4900 7.7342 122.8083 54.2301 39.9270 176.7856 9 K 3.8320 8.7343 125.2987 59.4644 32.1373 178.2748 10 E 4.0806 8.2684 118.9885 59.7021 29.3683 179.3755 11 C 4.2209 8.1472 116.7235 58.9607 40.0313 175.5128 12 V 3.7433 7.6351 119.7694 66.1957 31.2140 176.8424 13 Y 4.2396 7.9590 117.9143 61.4704 38.5339 176.9764 14 F 2.9338 7.6163 114.6687 61.6846 39.5537 176.0884 15 C 4.2575 8.0108 120.3438 58.2484 41.2110 172.8736 16 H 3.5007 8.4113 118.0164 57.9699 27.3802 174.3510 17 L 3.9901 7.7860 123.3755 56.4149 41.7593 174.8183 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 C 8.45 4.71 0.00 2.95 3.07 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 2 S 8.34 4.49 0.00 3.93 3.69 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 3 C 9.03 4.91 0.00 2.93 2.91 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 S 8.62 4.12 0.00 3.85 3.87 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 5 S 7.64 4.56 0.00 3.90 3.77 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 6 L 8.57 3.94 0.00 1.60 1.76 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 7 M 8.19 4.04 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 8 D 7.73 4.49 0.00 2.80 2.63 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 9 K 8.73 3.83 0.00 1.86 1.93 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.61 7.81 10 E 8.27 4.08 0.00 2.08 1.99 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 2.58 2.47 0.00 11 C 8.15 4.22 0.00 3.11 3.06 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 12 V 7.64 3.74 2.28 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 0.80 0.00 0.00 0.97 0.00 0.00 13 Y 7.96 4.24 0.00 3.06 3.14 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 14 F 7.62 2.93 0.00 3.07 2.97 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 15 C 8.01 4.26 0.00 2.98 3.15 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 16 H 8.41 3.50 0.00 3.21 3.40 0.00 5.90 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.79 3.99 0.00 1.88 1.64 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00