NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.1687 8.3645 123.5821 52.1315 18.7498 175.5944 4 Q 3.9586 8.1641 117.2410 54.0166 27.2417 175.5534 5 K 4.4387 8.4159 128.4927 53.9429 34.4439 174.6699 6 S 4.7893 8.2951 112.1540 58.3992 66.4204 170.9858 *7 F 4.0597 9.2811 124.9640 60.8764 38.1592 178.4360 8 R 3.9023 8.1372 122.1597 59.6913 29.2302 180.6227 9 I 4.2809 7.6184 119.5023 64.2140 36.1037 179.3896 10 K 4.3508 9.2362 127.5219 58.6989 31.1894 185.0000 11 Q 4.0773 8.4598 122.6472 60.6490 28.8149 182.5927 12 K 4.1627 7.8108 127.8311 60.5620 31.8731 181.1830 13 M 4.1770 8.3523 122.0444 59.8091 31.1265 180.2577 14 A 4.2752 8.2379 123.8447 55.6472 18.4214 180.4345 15 K 3.9015 8.3122 121.7681 59.8412 31.5933 180.8922 16 A 4.2328 7.9044 123.9069 56.0028 18.4600 180.0399 17 K 4.0115 8.0584 123.9344 60.6270 31.5165 181.4963 18 K 3.8425 8.2824 127.3966 59.6279 31.6998 180.3962 19 Q 4.7779 8.1704 117.7078 55.5641 28.7161 179.6780 20 N 4.8658 9.1664 116.7309 54.3777 37.2092 179.3764 21 R 4.6268 7.4655 119.5438 55.1366 31.1804 179.3312 22 P 4.4502 0.0000 0.0000 61.7915 31.3101 175.7467 23 L 3.9861 8.5376 119.5008 55.5590 41.0059 177.1286 24 P 4.5943 0.0000 0.0000 62.5213 31.0247 175.4146 25 Q 4.5501 8.4664 114.4889 56.6514 30.5987 176.6768 *26 W 4.0937 8.1984 117.3890 59.8872 28.6424 183.9629 27 I 3.2659 7.5309 117.9089 63.4094 36.5819 180.6984 28 R 4.0658 7.4848 119.9090 59.3521 29.1726 180.8779 29 L 4.8087 8.5977 117.1876 54.5297 42.4391 181.6823 30 R 3.9562 8.1153 121.4869 58.5282 29.7063 181.5090 31 T 4.5059 8.4471 119.9047 59.9291 65.9984 168.7936 32 N 4.9576 7.4937 127.6649 52.0657 45.7800 176.0554 33 N 4.1794 8.2750 123.8803 51.2422 44.5248 177.1780 34 T 3.5783 10.0090 114.4894 60.4251 67.4916 172.9650 35 I 3.1187 7.8099 123.1852 60.5586 34.9589 178.3410 36 R 4.2192 8.4771 124.8921 56.4203 30.3285 169.9510 *37 Y 3.7632 8.4026 125.0492 57.6356 36.8896 170.8192 38 N 4.2237 8.8823 121.5944 52.9393 37.8037 174.5009 39 A 3.2626 8.2798 121.4887 53.2554 17.9606 177.5045 40 K 4.4440 9.0319 119.6801 53.6530 32.4089 181.0780 41 R 4.5943 8.1370 125.5131 53.6102 30.4696 172.6939 42 R 4.1991 8.3418 124.2004 56.6360 29.8688 176.7322 43 N 4.9029 8.6229 120.3742 53.9387 39.4225 175.0247 *44 W 3.8353 7.7968 119.5612 57.9817 25.2924 178.9729 45 R 5.3682 6.4381 131.0206 57.5860 33.7199 177.3273 46 R 4.2305 7.9056 116.1184 58.2551 30.8119 184.0026 47 T 4.2811 8.8030 112.3679 61.7693 70.2372 176.1235 48 K 4.8660 8.0650 121.9296 54.9539 35.9107 176.4639 49 M 4.3776 8.8900 117.5212 57.6392 32.0056 177.3723 50 N 4.4418 7.8376 112.2215 53.3176 37.7136 170.1858 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 3 A 8.36 4.17 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.16 3.96 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.90 0.00 0.00 0.00 0.00 0.00 2.28 1.99 0.00 5 K 8.42 4.44 0.00 1.77 1.68 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 1.00 7.81 6 S 8.30 4.79 0.00 3.58 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.28 4.06 0.00 2.19 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 3.90 0.00 1.73 1.98 0.00 3.20 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.25 0.00 9 I 7.62 4.28 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.13 0.91 0.00 0.00 10 K 9.24 4.35 0.00 1.72 1.67 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.32 7.81 11 Q 8.46 4.08 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 12 K 7.81 4.16 0.00 1.89 1.86 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.34 7.81 13 M 8.35 4.18 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 14 A 8.24 4.28 1.35 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 0.00 0.00 15 K 8.31 3.90 0.00 1.78 1.83 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.33 7.81 16 A 7.90 4.23 1.35 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 0.00 0.00 17 K 8.06 4.01 0.00 1.82 1.80 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.34 7.81 18 K 8.28 3.84 0.00 1.83 1.79 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.36 7.81 19 Q 8.17 4.78 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.99 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 20 N 9.17 4.87 0.00 2.65 2.72 0.00 0.00 6.68 7.54 0.00 0.00 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 7.47 4.63 0.00 1.77 1.72 0.00 3.26 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 22 P 0.00 4.45 0.00 2.08 1.89 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.61 0.00 23 L 8.54 3.99 0.00 1.65 1.52 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.59 0.00 2.08 1.89 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.59 0.00 25 Q 8.47 4.55 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.24 1.87 0.00 *26 W 8.20 4.09 0.00 2.41 2.16 0.00 0.00 0.00 0.00 0.00 0.00 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 7.53 3.27 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.51 0.91 0.00 0.00 28 R 7.48 4.07 0.00 1.86 1.90 0.00 3.17 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 29 L 8.60 4.81 0.00 1.56 1.49 0.92 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.12 3.96 0.00 1.75 1.88 0.00 3.24 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 31 T 8.45 4.51 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 1.21 0.00 0.00 32 N 7.49 4.96 0.00 2.68 2.66 0.00 0.00 6.73 7.99 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 33 N 8.28 4.18 0.00 2.79 2.41 0.00 0.00 7.34 7.59 0.00 0.00 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 T 10.01 3.58 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 1.21 0.00 0.00 35 I 7.81 3.12 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.99 0.91 0.00 0.00 36 R 8.48 4.22 0.00 1.82 1.74 0.00 3.29 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.00 *37 Y 8.40 3.76 0.00 2.52 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.88 4.22 0.00 2.63 2.91 0.00 0.00 6.78 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.28 3.26 1.43 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 40 K 9.03 4.44 0.00 1.62 1.62 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.21 7.81 41 R 8.14 4.59 0.00 1.75 1.69 0.00 3.24 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 42 R 8.34 4.20 0.00 1.82 1.75 0.00 3.17 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 43 N 8.62 4.90 0.00 2.59 2.73 0.00 0.00 7.17 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *44 W 7.80 3.84 0.00 2.59 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 6.44 5.37 0.00 1.93 1.85 0.00 3.18 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.20 0.00 46 R 7.91 4.23 0.00 1.96 1.54 0.00 3.24 0.00 0.00 3.26 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 47 T 8.80 4.28 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 1.21 0.00 0.00 48 K 8.07 4.87 0.00 1.71 1.54 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.25 1.00 7.81 49 M 8.89 4.38 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.11 0.00 50 N 7.84 4.44 0.00 2.77 2.61 0.00 0.00 6.37 7.56 0.00 0.00 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.