NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7328 8.3549 109.7159 45.1872 0.0000 172.8107 2 Y 4.3710 7.9424 116.9374 55.8516 38.4064 174.2010 3 I 4.3651 8.9920 118.7418 58.9504 40.4630 173.4165 4 P 4.6157 0.0000 0.0000 61.6479 32.0499 176.1257 5 E 3.9009 8.6692 120.5525 56.4099 29.8887 176.6561 6 A 2.9752 7.4107 126.9805 50.1810 19.1037 175.4993 7 P 4.1693 0.0000 0.0000 63.3283 31.6250 176.8039 8 R 4.5241 8.2010 118.5163 56.2771 30.2597 177.8015 9 D 4.3620 7.8939 118.0202 55.7724 40.2048 176.3379 *11 Q 3.9595 7.5593 118.2690 54.5433 30.1174 174.3369 12 A 4.5359 7.8100 120.7868 51.3728 20.5024 176.0284 13 Y 5.2514 8.4807 117.9065 56.3394 41.9482 175.0356 14 V 4.8876 9.3070 114.5414 59.7759 36.3532 174.2218 15 R 4.6061 8.4464 122.0418 54.1282 31.6125 176.9731 16 K 4.3649 8.6694 129.7074 55.0984 32.5181 176.8790 *18 G 3.6528 8.0865 103.4066 44.7627 0.0000 172.3365 19 E 4.6298 7.8586 118.1503 54.0033 33.7480 174.1502 20 W 5.2867 8.5263 120.2098 56.2484 30.2095 176.5047 21 V 4.9015 9.2519 117.1884 59.1591 35.7900 175.0833 22 L 4.1296 8.6272 123.0950 54.7215 42.1335 178.0346 23 L 4.1906 8.9501 126.0727 58.4459 41.9095 179.5066 24 S 4.1024 8.0568 113.4296 61.4543 62.4871 176.1534 25 T 3.6071 7.2608 118.6754 66.1059 68.1772 175.1248 26 F 4.7317 8.0685 116.1471 57.1682 39.8386 175.8852 27 L 4.3669 7.6553 124.0065 54.7689 41.7320 176.1181 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 3.73 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 2 Y 7.94 4.37 0.00 3.12 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 8.99 4.37 1.85 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.77 0.91 0.00 0.00 4 P 0.00 4.62 0.00 2.22 2.10 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 5 E 8.67 3.90 0.00 1.89 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 2.21 2.22 0.00 6 A 7.41 2.98 -0.27 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 7 P 0.00 4.17 0.00 1.48 1.81 0.00 2.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.81 0.00 8 R 8.20 4.52 0.00 1.74 1.88 0.00 3.16 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 9 D 7.89 4.36 0.00 2.83 2.80 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 *11 Q 7.56 3.96 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 12 A 7.81 4.54 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.48 5.25 0.00 2.67 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 14 V 9.31 4.89 2.13 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 0.82 0.00 0.00 1.12 0.00 0.00 15 R 8.45 4.61 0.00 1.33 1.62 0.00 2.52 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 1.15 1.34 0.00 16 K 8.67 4.36 0.00 1.80 1.72 0.00 1.96 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.39 1.41 7.81 *18 G 8.09 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.86 4.63 0.00 1.98 1.82 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 2.19 2.41 0.00 20 W 8.53 5.29 0.00 3.08 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 21 V 9.25 4.90 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 0.91 0.00 0.00 1.32 0.00 0.00 22 L 8.63 4.13 0.00 1.57 1.48 0.92 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.95 4.19 0.00 1.78 1.74 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.06 4.10 0.00 4.04 4.06 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 25 T 7.26 3.61 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 26 F 8.07 4.73 0.00 3.15 3.08 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 0.00 0.00 0.00 27 L 7.66 4.37 0.00 1.58 1.57 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.