NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1208 8.0093 114.2735 59.8723 38.8807 175.2375 4 P 4.4004 0.0000 0.0000 61.7508 32.0901 172.9569 5 E 4.0363 8.9625 120.6370 56.2807 30.8504 178.3838 6 A 3.1658 7.4917 124.1060 50.6598 18.9870 175.8527 7 P 4.2310 0.0000 0.0000 63.1248 32.1621 177.9765 8 R 4.3012 8.1311 121.8529 55.0312 28.0691 174.4028 9 D 4.5428 7.1602 117.1721 54.3284 42.1545 176.4605 *11 Q 4.0059 7.6524 119.6556 54.4298 30.3077 174.7394 12 A 4.4299 8.0451 122.0488 51.8916 19.9849 176.0681 13 Y 5.2493 8.5355 118.4361 56.3606 41.7988 175.3775 14 V 4.6760 9.0738 115.5836 59.8465 35.3088 174.7424 15 R 4.5724 8.5059 122.2369 54.7741 30.9335 175.4888 16 K 4.2606 8.7803 125.8452 57.2528 34.6158 175.9131 *19 E 4.0220 7.7588 116.2467 55.7205 30.5666 174.1557 20 W 5.2987 8.4482 120.9195 56.0599 30.2928 176.0305 21 V 4.8495 9.2225 124.3760 60.6680 34.8161 174.6717 22 L 3.7894 8.6609 126.7720 54.7602 42.0267 177.9632 23 L 4.1435 8.9459 126.8582 58.2925 42.4522 179.2504 24 S 4.4081 8.1489 109.5582 59.4491 62.4664 176.0254 25 T 3.9836 7.7669 112.1471 63.9737 70.3151 175.2262 26 F 4.3289 8.7376 118.8566 57.5514 37.9873 175.7259 27 L 4.3824 5.6200 129.3163 55.5665 41.7631 176.1069 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 I 8.01 4.12 1.77 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.30 0.81 0.00 0.00 4 P 0.00 4.40 0.00 2.41 2.15 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 5 E 8.96 4.04 0.00 1.95 1.84 0.00 0.00 0.00 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 2.25 0.00 6 A 7.49 3.17 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.23 0.00 2.10 1.94 0.00 2.24 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 8 R 8.13 4.30 0.00 1.77 1.87 0.00 3.13 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 9 D 7.16 4.54 0.00 2.75 2.67 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 *11 Q 7.65 4.01 0.00 2.17 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.92 0.00 0.00 0.00 0.00 0.00 2.24 2.60 0.00 12 A 8.05 4.43 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 5.25 0.00 2.61 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 9.07 4.68 2.06 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 0.73 0.00 0.00 0.91 0.00 0.00 15 R 8.51 4.57 0.00 1.36 1.66 0.00 2.31 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.31 0.00 16 K 8.78 4.26 0.00 1.79 1.82 0.00 2.08 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.43 7.81 *19 E 7.76 4.02 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 20 W 8.45 5.30 0.00 2.97 2.86 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 0.00 21 V 9.22 4.85 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 1.09 0.00 0.00 22 L 8.66 3.79 0.00 1.57 1.42 0.87 -0.09 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 23 L 8.95 4.14 0.00 1.71 1.74 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.15 4.41 0.00 4.01 4.04 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 25 T 7.77 3.98 3.99 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 1.13 0.00 0.00 26 F 8.74 4.33 0.00 3.19 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 5.62 4.38 0.00 1.74 1.55 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.