NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 M 4.4787 8.2629 118.7933 54.1465 33.6758 176.4731 3 K 3.9222 8.3288 125.2504 58.9551 31.8393 177.2671 4 Q 4.1462 8.8267 121.2550 59.2926 29.3806 177.9664 5 I 3.8056 7.8763 122.8119 64.8906 37.1579 178.7962 *6 E 3.9735 7.9276 119.0111 61.2628 29.5423 180.9172 7 D 4.6554 8.4595 123.0881 57.7475 40.8949 180.0030 8 K 3.9944 8.1256 123.9455 59.7821 31.7988 180.7923 9 L 4.2053 8.1484 121.0522 57.9219 41.4754 179.7396 10 E 3.9875 8.3422 118.1693 59.3880 29.3368 179.0481 11 E 3.9506 8.4213 119.6433 59.2163 29.6471 178.9287 12 I 3.6856 8.2956 120.2735 64.2344 37.2172 178.1017 13 L 3.9064 8.0663 121.1906 58.3199 41.9579 178.9833 14 S 4.3347 8.4897 113.3677 61.4757 62.2544 176.2952 15 K 4.1237 8.4687 121.4556 59.3038 31.7039 179.3929 16 L 3.9747 8.2015 119.6205 57.7605 41.4897 178.9628 17 Y 4.0339 8.0501 116.7573 61.3162 37.7687 178.1738 18 H 4.1998 8.3606 118.9252 59.4596 29.9998 177.1848 19 I 3.6078 8.0638 121.8096 64.4836 36.8727 178.1800 20 S 4.0755 8.4212 114.2427 61.7123 62.0586 176.1176 21 N 4.3641 8.3599 118.9726 56.1836 38.2760 177.2622 22 E 3.9173 8.3263 120.2349 59.4500 29.4877 179.4451 23 L 3.9813 8.0811 118.7305 57.7090 41.5842 179.4115 24 A 3.9864 8.2175 121.0448 55.1774 18.2712 179.7151 25 R 3.8429 8.3464 117.5427 59.4397 30.0677 178.8740 26 I 3.6890 7.8722 119.7358 64.1347 37.0542 178.1823 27 K 3.8676 8.3284 120.8500 59.3367 32.0867 178.4562 28 K 3.8525 8.2871 120.0641 59.6747 31.8944 178.5584 29 L 3.9863 8.0373 117.9355 57.9852 41.6555 179.3763 30 L 4.2328 8.2021 118.1169 57.3943 41.5255 179.5459 31 G 3.7797 8.0942 105.3512 47.8413 0.0000 173.8108 32 E 4.2863 7.8651 124.3595 56.2535 29.6360 176.8233 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 *2 M 8.26 4.48 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 3 K 8.33 3.92 0.00 1.84 1.85 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.12 7.81 4 Q 8.83 4.15 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 5 I 7.88 3.81 2.04 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 1.50 0.56 0.91 0.00 0.00 *6 E 7.93 3.97 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 7 D 8.46 4.66 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.13 3.99 0.00 1.78 1.81 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 9 L 8.15 4.21 0.00 1.82 1.78 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.34 3.99 0.00 2.38 2.01 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 2.33 2.19 0.00 11 E 8.42 3.95 0.00 2.16 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 0.00 2.32 2.36 0.00 12 I 8.30 3.69 1.88 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 0.49 0.90 0.00 0.00 13 L 8.07 3.91 0.00 2.01 1.77 1.07 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.49 4.33 0.00 3.98 4.11 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 0.00 0.00 0.00 0.00 15 K 8.47 4.12 0.00 1.99 1.87 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.67 7.81 16 L 8.20 3.97 0.00 1.85 1.56 0.86 0.65 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 17 Y 8.05 4.03 0.00 3.21 2.98 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 18 H 8.36 4.20 0.00 3.31 3.54 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.06 3.61 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.63 0.89 0.00 0.00 20 S 8.42 4.08 0.00 3.84 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.36 4.36 0.00 2.95 2.86 0.00 0.00 7.06 7.12 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 22 E 8.33 3.92 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 23 L 8.08 3.98 0.00 1.90 1.70 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.22 3.99 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 25 R 8.35 3.84 0.00 1.99 2.03 0.00 3.10 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 26 I 7.87 3.69 1.99 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 1.40 0.69 0.91 0.00 0.00 27 K 8.33 3.87 0.00 1.90 1.97 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 28 K 8.29 3.85 0.00 1.97 2.01 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 29 L 8.04 3.99 0.00 1.62 1.72 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.20 4.23 0.00 1.59 1.73 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.09 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.87 4.29 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.