NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 S 4.3590 8.3344 115.2914 58.4852 64.1517 174.7966 19 Q 3.8372 7.4862 124.8148 57.6945 30.0155 174.3315 20 P 4.2467 0.0000 0.0000 62.7629 32.8486 175.6619 21 I 4.1407 8.2294 124.7685 59.8714 37.5743 175.4376 22 F 4.2017 8.8618 128.7822 57.9077 39.9490 174.0396 23 N 4.7319 7.8659 125.8260 51.7360 41.2439 174.7785 24 D 4.1880 8.3666 126.7326 57.0972 41.3669 178.1476 25 K 3.9601 7.9819 119.9781 59.2573 32.3040 178.4783 26 Q 3.8754 8.3181 119.9590 59.0206 28.9397 178.0503 27 F 4.1282 8.0615 121.5480 61.5696 39.5873 177.0915 28 Q 3.8673 8.5210 118.0357 58.9858 28.3143 178.9146 29 E 3.8845 7.9827 119.3212 59.0181 29.3294 178.9086 30 A 3.8662 7.8800 120.8506 55.2023 18.3180 179.5024 31 L 3.7979 7.6751 119.0301 58.0850 41.8512 179.3157 32 S 2.9555 7.4830 113.3193 60.8510 62.9073 176.3941 33 R 3.6847 7.1462 118.9399 58.6924 29.4537 178.4325 34 Q 3.7817 7.3190 117.9335 58.5679 28.7611 178.6748 35 W 3.6701 7.4212 116.7981 59.0935 28.2031 177.7145 *37 Q 4.2813 7.9645 118.1431 55.8428 30.1048 177.1639 38 R 3.9574 8.2465 117.7069 58.8909 30.2060 176.4455 39 Y 4.6351 7.9981 113.3653 57.1501 38.3397 175.1904 40 G 4.0702 7.9353 107.9515 46.8604 0.0000 173.6089 41 L 4.8562 8.1666 116.5341 53.0613 44.3554 177.2956 42 N 4.6760 8.4614 117.1829 54.3667 39.3655 175.8257 *1042 S 3.1887 7.8416 117.0795 57.9680 63.2963 173.5182 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 18 S 8.33 4.36 0.00 3.85 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 19 Q 7.49 3.84 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 20 P 0.00 4.25 0.00 2.12 2.02 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 21 I 8.23 4.14 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.63 0.93 0.00 0.00 22 F 8.86 4.20 0.00 2.97 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.87 4.73 0.00 2.64 2.45 0.00 0.00 6.84 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.37 4.19 0.00 2.90 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 25 K 7.98 3.96 0.00 1.84 1.95 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.48 7.81 26 Q 8.32 3.88 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 27 F 8.06 4.13 0.00 2.91 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 28 Q 8.52 3.87 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.60 0.00 0.00 0.00 0.00 0.00 2.71 2.70 0.00 29 E 7.98 3.88 0.00 2.13 1.90 0.00 0.00 0.00 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 2.32 0.00 30 A 7.88 3.87 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.68 3.80 0.00 1.20 1.59 0.89 0.71 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 32 S 7.48 2.96 0.00 3.51 3.96 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 0.00 0.00 0.00 33 R 7.15 3.68 0.00 1.75 1.87 0.00 2.97 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.50 0.00 34 Q 7.32 3.78 0.00 2.02 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 35 W 7.42 3.67 0.00 3.39 3.16 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 *37 Q 7.96 4.28 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.95 0.00 0.00 0.00 0.00 0.00 1.80 1.16 0.00 38 R 8.25 3.96 0.00 1.97 2.07 0.00 3.30 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 39 Y 8.00 4.64 0.00 3.05 2.93 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 0.00 0.00 0.00 40 G 7.94 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.17 4.86 0.00 2.24 1.85 1.12 1.03 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 42 N 8.46 4.68 0.00 2.76 2.85 0.00 0.00 6.62 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1042 S 7.84 3.19 0.00 3.61 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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.