NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2316 8.3044 118.7933 52.7171 32.9408 175.5690 2 V 3.0051 8.8785 128.1779 61.9111 30.7469 170.4783 3 S 4.4815 8.9919 124.2617 57.4947 66.2950 174.4563 4 K 3.8588 8.5264 121.7614 59.7317 31.6931 179.3283 5 L 3.9488 7.8009 119.8648 58.1439 42.0701 178.6466 6 S 4.3296 8.1717 114.5573 60.8839 62.2256 175.9329 7 Q 3.9207 8.3343 122.4264 59.0010 28.5785 177.9276 8 L 3.9263 7.7605 120.2325 58.2393 42.0694 178.6924 9 Q 4.1380 8.3147 118.1195 59.2713 28.6822 178.8286 10 T 3.9567 8.0811 116.8204 66.6288 68.4430 177.9691 11 E 3.9303 8.2246 119.1774 56.5450 29.4433 179.1338 *13 L 4.1868 7.9678 120.4691 54.8720 43.9590 179.1994 14 A 3.9843 8.0714 119.9795 55.2109 18.2108 179.5685 15 A 3.9741 8.3267 119.5165 55.1633 18.4588 179.8759 16 L 3.9343 7.8504 117.0612 57.9243 41.8055 179.5504 17 L 4.0584 8.1389 121.3367 58.5311 41.3641 180.0499 18 E 4.0637 8.3711 117.7106 61.0063 29.7097 180.6229 19 S 4.5637 7.9712 112.7057 59.0369 63.3866 174.9349 20 G 4.0521 7.7746 109.7243 45.0308 0.0000 173.8955 21 L 4.0192 7.5575 122.2165 54.5134 42.7870 176.7254 22 S 4.2685 8.5427 120.4219 57.9818 63.2044 174.9306 23 K 3.9492 8.7506 125.8905 59.6802 31.6115 179.1017 24 E 3.9568 8.3025 118.7322 59.5004 29.1291 179.2224 25 A 3.9821 8.0479 120.6046 55.2768 18.2193 179.7376 26 L 3.9881 7.6898 115.8754 57.8491 42.1339 179.1904 27 I 3.8385 8.1943 120.3306 64.3261 36.7467 178.2156 28 Q 3.9545 8.2318 119.8488 59.1088 28.9629 177.9628 29 A 4.1297 7.6124 120.7265 54.6082 18.4304 177.8246 30 L 4.2386 7.6038 121.6304 55.2330 41.8373 176.8527 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 M 8.30 4.23 0.00 2.05 1.06 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 V 8.88 3.01 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 0.97 0.00 0.00 0.93 0.00 0.00 3 S 8.99 4.48 0.00 4.09 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.53 3.86 0.00 1.82 1.91 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.51 7.81 5 L 7.80 3.95 0.00 1.75 1.65 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.17 4.33 0.00 3.93 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.33 3.92 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 8 L 7.76 3.93 0.00 1.76 1.90 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.31 4.14 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 10 T 8.08 3.96 4.37 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 1.21 0.00 0.00 11 E 8.22 3.93 0.00 2.06 1.96 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 0.00 2.33 2.49 0.00 *13 L 7.97 4.19 0.00 1.87 1.75 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.07 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.33 3.97 1.37 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 0.00 0.00 16 L 7.85 3.93 0.00 1.87 1.73 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.14 4.06 0.00 1.70 1.71 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.37 4.06 0.00 2.04 1.87 0.00 0.00 0.00 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 2.19 0.00 19 S 7.97 4.56 0.00 4.02 4.13 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 20 G 7.77 4.05 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 0.00 0.00 0.00 21 L 7.56 4.02 0.00 1.61 1.71 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.54 4.27 0.00 3.89 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 3.95 0.00 1.83 1.86 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.54 7.81 24 E 8.30 3.96 0.00 1.99 2.02 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 2.34 2.49 0.00 25 A 8.05 3.98 1.37 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 0.00 0.00 26 L 7.69 3.99 0.00 1.63 1.74 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.19 3.84 1.98 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 1.41 0.84 0.91 0.00 0.00 28 Q 8.23 3.95 0.00 2.03 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 29 A 7.61 4.13 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.60 4.24 0.00 1.85 1.60 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.