NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 D 4.6099 8.2233 120.1909 53.7526 42.3382 176.1393 10 L 3.8767 8.6660 127.2368 56.1081 41.9637 177.2388 11 S 4.2624 8.2082 112.4511 61.0387 64.5755 175.0935 12 K 4.0862 8.3654 122.4564 59.2541 32.1185 179.1531 13 Q 3.9705 8.0853 115.7533 56.3824 28.0989 177.6512 *15 E 4.2262 8.2657 121.4070 56.2138 31.5933 177.3703 16 E 3.9934 8.2336 119.0724 59.1751 29.3416 178.7476 17 E 3.9392 7.8628 117.5151 59.3122 29.6476 178.5220 18 A 4.1564 8.0387 119.0855 55.4401 18.5606 179.4300 19 V 3.8648 7.8975 116.4580 66.0025 31.5269 179.5051 20 R 4.1981 7.9019 116.3857 56.4331 29.9307 178.4590 *22 F 4.8793 8.0538 122.6049 58.4995 41.4389 176.9595 23 I 3.5553 8.3239 121.5688 64.3849 36.8160 178.2259 24 E 3.9727 8.5236 119.6948 59.1736 29.2140 179.1658 25 W 4.4401 8.1264 129.1741 59.8604 30.7582 177.8096 26 L 3.4555 7.7500 118.8563 57.6698 40.8162 179.7326 27 K 3.9563 7.7325 117.0529 59.1214 32.0397 178.3197 28 N 4.6075 7.7396 114.2246 52.9789 39.0149 175.2929 29 G 3.7325 8.5407 108.6951 44.1719 0.0000 175.4886 30 G 2.0000 7.6599 110.2987 44.9129 0.0000 174.7947 31 P 4.5869 0.0000 0.0000 65.0793 31.5111 178.2977 32 S 4.2183 7.8135 115.5153 61.0837 62.5045 174.2880 33 S 4.3729 7.1278 111.7707 54.5559 65.8632 173.1425 34 G 3.6070 9.5689 111.7127 47.2857 0.0000 173.0461 35 A 4.3080 8.2308 124.4259 52.9905 19.0683 175.9935 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 9 D 8.22 4.61 0.00 2.77 2.62 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 10 L 8.67 3.88 0.00 1.75 1.72 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.21 4.26 0.00 3.97 3.99 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 12 K 8.37 4.09 0.00 1.94 1.84 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.55 7.81 13 Q 8.09 3.97 0.00 2.40 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.16 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 *15 E 8.27 4.23 0.00 2.01 2.11 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 2.26 2.29 0.00 16 E 8.23 3.99 0.00 2.21 2.08 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 2.32 2.37 0.00 17 E 7.86 3.94 0.00 1.95 2.01 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 2.53 2.48 0.00 18 A 8.04 4.16 1.30 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 19 V 7.90 3.86 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 1.21 0.00 0.00 0.97 0.00 0.00 20 R 7.90 4.20 0.00 2.14 1.97 0.00 3.37 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 *22 F 8.05 4.88 0.00 3.10 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 23 I 8.32 3.56 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.09 0.90 0.00 0.00 24 E 8.52 3.97 0.00 2.03 2.04 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 2.53 2.49 0.00 25 W 8.13 4.44 0.00 3.36 3.37 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 26 L 7.75 3.46 0.00 1.66 1.44 0.53 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.73 3.96 0.00 1.81 1.82 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.52 7.81 28 N 7.74 4.61 0.00 2.68 2.81 0.00 0.00 7.18 7.30 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 29 G 8.54 3.73 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 30 G 7.66 2.00 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 0.00 31 P 0.00 4.59 0.00 2.22 2.37 0.00 3.29 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.05 0.00 32 S 7.81 4.22 0.00 3.97 3.88 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 33 S 7.13 4.37 0.00 3.74 3.62 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 34 G 9.57 3.61 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 35 A 8.23 4.31 1.27 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 * Residues marked with a * may have inaccurate shift predictions.