NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7539 8.3549 109.7145 45.2034 0.0000 173.2234 2 Y 4.2747 7.9548 116.4210 57.0998 38.3864 174.2473 3 I 3.9140 8.2065 123.6107 60.5733 38.5396 174.4905 4 P 4.7686 0.0000 0.0000 61.0429 33.0636 174.9798 5 E 3.9950 8.5173 118.6297 56.0777 29.9557 175.9648 6 A 3.6522 7.4668 127.1183 49.7886 19.7969 175.3415 7 P 4.2455 0.0000 0.0000 63.1863 31.6870 176.8753 8 R 4.3915 8.2323 118.0285 56.3326 29.7430 177.7913 9 D 4.3578 7.5760 118.3900 55.7718 40.2032 176.2251 *11 Q 3.9974 7.5290 119.3457 54.4481 30.2145 174.6319 12 A 4.4701 7.9836 121.4494 51.7599 20.1498 176.0582 13 Y 5.1794 8.5437 118.2309 56.3177 41.6416 175.2205 14 V 4.8201 9.2249 115.3164 59.7568 35.9212 174.1871 15 R 4.6419 8.3867 121.9624 54.0325 31.4452 176.9042 16 K 4.3841 8.6377 130.0449 55.1844 32.5080 176.8464 *18 G 3.6010 8.0029 103.1693 44.8750 0.0000 172.1763 19 E 4.6424 7.9136 118.0759 53.8959 33.6665 174.3181 20 W 5.2808 8.5788 120.6772 56.2919 30.1510 176.1518 21 V 4.8319 9.3216 124.5250 60.6251 34.9257 174.6650 22 L 3.8003 8.7419 126.5346 55.1270 42.1450 177.7467 23 L 4.1838 8.9825 126.3123 58.5710 42.1665 179.5044 24 S 4.2027 8.0710 113.5650 61.4195 62.5664 176.1281 25 T 3.8640 7.5752 111.7548 63.4886 68.5552 175.3981 26 F 4.6540 7.9893 118.8478 57.3290 39.7013 175.6028 27 L 4.3707 7.6713 123.6242 54.7701 41.7317 176.1178 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 G 8.35 3.75 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 2 Y 7.95 4.27 0.00 3.10 2.82 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 I 8.21 3.91 1.99 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.75 1.08 0.00 0.00 4 P 0.00 4.77 0.00 2.29 2.16 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.00 0.00 5 E 8.52 3.99 0.00 1.93 1.88 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 2.23 2.24 0.00 6 A 7.47 3.65 -0.22 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 P 0.00 4.25 0.00 1.80 1.89 0.00 2.20 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 1.43 1.85 0.00 8 R 8.23 4.39 0.00 1.77 1.91 0.00 3.17 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 9 D 7.58 4.36 0.00 2.81 2.78 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 *11 Q 7.53 4.00 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 12 A 7.98 4.47 1.20 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 13 Y 8.54 5.18 0.00 2.59 3.12 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 V 9.22 4.82 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 0.79 0.00 0.00 0.99 0.00 0.00 15 R 8.39 4.64 0.00 1.34 1.62 0.00 2.57 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.35 0.00 16 K 8.64 4.38 0.00 1.76 1.74 0.00 1.94 0.00 0.00 1.96 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.41 7.81 *18 G 8.00 3.60 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 19 E 7.91 4.64 0.00 2.09 1.83 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 2.20 2.42 0.00 20 W 8.58 5.28 0.00 3.06 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 21 V 9.32 4.83 2.47 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 1.23 0.00 0.00 1.12 0.00 0.00 22 L 8.74 3.80 0.00 1.55 1.43 0.88 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.98 4.18 0.00 1.78 1.76 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.07 4.20 0.00 4.05 4.07 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 25 T 7.58 3.86 3.86 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 1.06 0.00 0.00 26 F 7.99 4.65 0.00 3.20 3.13 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 27 L 7.67 4.37 0.00 1.67 1.57 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.