NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2768 8.3044 120.3463 55.2505 33.3834 174.1974 2 Q 4.3492 8.1610 124.9659 53.8396 31.4028 172.7970 3 Y 4.7926 8.8089 122.8324 55.9451 41.4195 174.4551 4 K 4.7262 8.6750 124.0067 54.4807 35.0845 175.3769 5 V 4.4000 8.3657 124.1634 61.0624 34.2492 174.2462 6 I 4.3197 8.2926 127.3933 59.3339 39.0410 174.9121 7 L 4.3712 8.3131 124.3132 54.9690 43.6543 175.3533 8 N 4.2934 8.7380 121.5517 53.8930 37.7642 174.0026 *20 A 4.3428 8.3065 125.4732 51.2992 20.5096 176.6491 21 V 4.2139 7.2289 113.2883 60.4382 34.5683 174.0301 22 D 4.4950 8.7774 126.8055 53.4764 41.8370 176.1892 23 A 3.9213 8.6289 129.6026 55.2559 18.5069 178.7098 24 A 3.9288 8.1630 118.9175 55.6755 18.4880 179.8600 25 T 3.8838 7.7823 106.8462 64.7044 68.8386 176.5020 26 F 4.0559 8.1117 123.0425 61.1073 39.4003 176.8140 27 E 3.6023 8.1389 118.0470 59.2836 29.2823 179.2530 28 K 3.9859 7.9527 119.3534 59.5191 32.2425 178.8360 29 V 3.5515 8.2124 118.7701 66.0290 31.4541 178.1751 30 V 3.5864 7.7066 117.8664 65.8911 31.3582 177.7652 31 K 4.0411 8.8233 119.8358 59.6046 31.9831 178.2964 32 Q 3.9703 8.7593 120.0894 59.3019 28.7268 177.9959 33 F 4.0515 8.6029 121.9205 61.5796 39.3272 177.1954 34 F 3.8278 8.2981 117.1819 60.4767 38.5768 177.4899 35 N 4.3814 8.5221 116.3642 56.4313 38.0785 177.1847 36 D 4.3869 8.1101 119.5028 56.4049 40.8292 177.3618 37 N 4.6692 7.1366 115.2983 52.6412 38.9727 176.2978 38 G 3.8805 7.8746 109.1912 45.3566 0.0000 174.2847 39 V 4.2032 7.5148 113.4686 59.5380 32.7254 174.9285 40 D 4.9169 7.8826 124.2267 52.6474 42.2257 175.1617 41 G 3.9176 7.7589 112.3093 45.2355 0.0000 171.7930 42 E 4.6362 8.0011 117.3981 53.9888 33.3811 175.5532 43 W 4.4119 8.7000 121.2971 56.1509 29.8023 176.2358 44 T 4.8551 8.2705 112.9857 59.6499 71.1449 173.3520 45 Y 4.2492 8.6406 120.7203 58.0914 38.7133 175.3647 46 D 4.8681 8.4657 122.7946 53.1331 42.4345 176.3018 47 D 4.4975 8.4903 120.8438 53.7895 41.5116 176.3434 48 A 4.1495 8.4209 125.1997 52.8935 19.0366 177.1849 49 T 4.7300 8.2460 115.2445 61.5820 72.0836 173.8749 50 K 4.6844 8.6333 124.1125 54.7853 35.0399 175.5489 51 T 4.5349 8.2220 118.9738 61.3637 70.7650 173.8985 52 F 4.1378 8.8348 128.1484 58.3722 38.8980 174.8173 53 T 4.1567 7.7283 126.2759 61.7862 68.3596 175.3845 54 V 3.6014 8.0936 126.9915 63.3319 32.2871 175.7686 55 T 4.2274 8.2771 122.8286 65.5906 69.3709 174.7398 56 E 4.4062 7.8195 123.7832 57.0540 30.4454 175.2612 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 4.28 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.35 0.00 2 Q 8.16 4.35 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.56 0.00 0.00 0.00 0.00 0.00 2.22 2.45 0.00 3 Y 8.81 4.79 0.00 3.10 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 4 K 8.68 4.73 0.00 1.71 1.69 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.43 7.81 5 V 8.37 4.40 2.11 0.00 0.00 0.00 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 1.09 0.00 0.00 6 I 8.29 4.32 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.74 0.86 0.00 0.00 7 L 8.31 4.37 0.00 1.36 1.38 0.32 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.74 4.29 0.00 2.75 3.10 0.00 0.00 7.10 7.35 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 *20 A 8.31 4.34 1.27 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 21 V 7.23 4.21 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 0.73 0.00 0.00 0.90 0.00 0.00 22 D 8.78 4.50 0.00 2.83 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.63 3.92 1.24 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 0.00 0.00 0.00 24 A 8.16 3.93 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 25 T 7.78 3.88 4.27 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 1.27 0.00 0.00 26 F 8.11 4.06 0.00 3.15 3.20 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 27 E 8.14 3.60 0.00 2.17 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 1.47 2.22 0.00 28 K 7.95 3.99 0.00 1.89 2.00 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 29 V 8.21 3.55 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.95 0.00 0.00 30 V 7.71 3.59 2.44 0.00 0.00 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 0.31 0.00 0.00 31 K 8.82 4.04 0.00 2.09 2.09 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.60 7.81 32 Q 8.76 3.97 0.00 2.37 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 33 F 8.60 4.05 0.00 2.98 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.30 3.83 0.00 3.25 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.52 4.38 0.00 2.88 2.86 0.00 0.00 7.04 8.52 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 36 D 8.11 4.39 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.14 4.67 0.00 2.25 2.60 0.00 0.00 7.08 7.41 0.00 0.00 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 G 7.87 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.51 4.20 2.07 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 0.70 0.00 0.00 1.19 0.00 0.00 40 D 7.88 4.92 0.00 2.59 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.76 3.92 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 0.00 0.00 0.00 42 E 8.00 4.64 0.00 1.88 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 2.16 2.24 0.00 43 W 8.70 4.41 0.00 3.28 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 4.86 4.33 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 1.24 0.00 0.00 45 Y 8.64 4.25 0.00 2.98 2.96 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 46 D 8.47 4.87 0.00 2.75 2.65 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 47 D 8.49 4.50 0.00 2.70 2.63 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 48 A 8.42 4.15 1.27 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 49 T 8.25 4.73 4.27 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 1.24 0.00 0.00 50 K 8.63 4.68 0.00 1.74 1.72 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.43 7.81 51 T 8.22 4.53 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 52 F 8.83 4.14 0.00 2.98 3.06 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 53 T 7.73 4.16 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 1.12 0.00 0.00 54 V 8.09 3.60 2.07 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 0.84 0.00 0.00 1.01 0.00 0.00 55 T 8.28 4.23 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 56 E 7.82 4.41 0.00 1.89 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.