NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4346 8.3193 115.2903 59.2734 63.5760 171.0041 2 C 4.6550 8.0457 112.6067 54.3240 45.4645 172.9484 3 S 4.3772 8.8631 117.1363 58.0032 63.3377 175.8190 4 G 4.2420 8.4392 113.5404 44.7474 0.0000 170.6434 5 R 4.1715 8.4090 117.4084 58.1472 30.0684 176.6527 6 D 4.6913 8.9277 121.4974 54.2146 41.2421 174.1668 7 S 4.6394 7.9154 114.4389 58.3389 64.4832 173.7879 8 R 4.6807 8.6862 118.9920 56.5975 29.3978 174.6306 9 C 4.6731 8.4663 115.6186 54.8687 42.2571 173.8197 *12 V 3.9023 8.3442 118.8299 62.9971 32.8716 176.3216 13 C 4.8029 8.0911 115.2889 57.3282 42.2012 174.5300 14 C 4.6139 8.8605 118.6187 56.6067 41.6436 172.6485 15 M 4.2824 8.4578 120.1595 59.1978 31.6482 175.6298 16 G 4.1471 9.1195 114.7566 45.1491 0.0000 172.2051 17 L 5.2606 7.7935 119.6533 52.8450 43.7145 176.3502 18 M 4.7771 8.6837 121.2933 54.7297 34.7610 174.6285 19 C 5.1868 8.6329 117.9906 54.9607 45.0486 175.5646 20 S 4.2959 8.9062 126.1092 57.7639 60.9175 175.2578 21 R 3.9281 7.8563 115.9648 55.9226 28.1125 177.2275 22 G 4.4346 6.1745 117.6270 45.8516 0.0000 172.3649 23 K 5.0117 7.2623 120.2083 54.3516 36.4070 176.5337 24 C 5.4665 8.7595 122.3696 57.1769 41.6396 173.2531 25 V 4.8413 8.1014 114.1264 59.6640 36.2908 174.4429 26 S 4.7092 8.8570 120.6719 58.6951 63.1032 175.4775 27 I 3.6836 8.2226 122.4504 63.4631 37.0617 177.6670 28 Y 4.3630 7.1995 117.3420 61.0259 37.8404 178.5995 29 G 3.7940 8.0871 104.3736 47.4531 0.0000 172.8573 30 E 4.2323 8.6176 127.4360 56.2093 30.0242 174.3103 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 S 8.32 4.43 0.00 3.85 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 2 C 8.05 4.66 0.00 3.05 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 3 S 8.86 4.38 0.00 3.96 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 4 G 8.44 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.41 4.17 0.00 1.82 1.96 0.00 3.29 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 6 D 8.93 4.69 0.00 2.83 2.85 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 0.00 0.00 0.00 7 S 7.92 4.64 0.00 3.86 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.69 4.68 0.00 1.79 1.96 0.00 2.73 0.00 0.00 2.41 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 9 C 8.47 4.67 0.00 2.95 3.11 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 0.00 0.00 0.00 *12 V 8.34 3.90 2.27 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 0.94 0.00 0.00 0.93 0.00 0.00 13 C 8.09 4.80 0.00 2.97 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 14 C 8.86 4.61 0.00 2.91 3.04 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 0.00 0.00 0.00 15 M 8.46 4.28 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 16 G 9.12 4.15 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 0.00 0.00 0.00 17 L 7.79 5.26 0.00 1.70 1.58 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 18 M 8.68 4.78 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 19 C 8.63 5.19 0.00 2.94 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.91 4.30 0.00 4.02 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.86 3.93 0.00 1.97 2.08 0.00 3.29 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 22 G 6.17 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.26 5.01 0.00 1.66 1.65 0.00 1.68 0.00 0.00 1.94 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.68 1.45 7.81 24 C 8.76 5.47 0.00 3.11 3.01 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 0.00 0.00 0.00 25 V 8.10 4.84 2.09 0.00 0.00 0.00 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 1.07 0.00 0.00 26 S 8.86 4.71 0.00 3.99 4.10 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 27 I 8.22 3.68 1.60 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.30 0.79 0.00 0.00 28 Y 7.20 4.36 0.00 3.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.62 4.23 0.00 1.92 1.72 0.00 0.00 0.00 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 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.