NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2755 8.4444 120.2173 56.6503 30.9145 176.4964 2 C 4.3757 8.9261 121.4743 55.6395 44.5034 172.1068 3 C 4.3346 9.2821 124.5241 56.5887 42.4167 173.8880 4 N 4.8847 7.8291 118.0560 51.8242 39.4106 174.2019 5 P 4.1937 0.0000 0.0000 65.7845 31.5581 178.5114 6 A 4.2127 7.9726 119.0792 54.3896 18.6317 179.0079 7 C 4.4893 8.6870 114.4712 58.0650 42.5825 175.9681 8 G 3.7823 7.9495 107.8317 46.2999 0.0000 177.5088 9 R 3.9421 8.8369 121.7096 58.2664 29.1341 176.5910 10 H 4.6643 8.1691 114.9956 55.6519 29.1143 174.5374 11 Y 4.2439 7.8038 122.4508 58.4183 39.3541 176.1463 12 S 4.1763 8.4325 121.3694 57.8339 65.2747 173.3753 13 C 4.3510 8.0033 126.8087 56.6394 44.3338 173.4762 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 E 8.44 4.28 0.00 1.92 1.85 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 2.13 2.25 0.00 2 C 8.93 4.38 0.00 2.85 2.98 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 9.28 4.33 0.00 2.96 3.10 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 N 7.83 4.88 0.00 2.88 2.76 0.00 0.00 7.11 8.03 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 P 0.00 4.19 0.00 2.19 2.11 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 6 A 7.97 4.21 1.31 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 0.00 0.00 7 C 8.69 4.49 0.00 3.27 3.35 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 8 G 7.95 3.78 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 0.00 0.00 0.00 9 R 8.84 3.94 0.00 1.87 2.03 0.00 2.95 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.24 0.00 10 H 8.17 4.66 0.00 3.32 3.38 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.80 4.24 0.00 3.05 2.92 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 S 8.43 4.18 0.00 3.84 3.58 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 13 C 8.00 4.35 0.00 2.10 2.42 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