NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 I 4.2196 8.0244 114.2744 60.9385 38.7592 175.1180 10 Q 4.4486 7.4938 117.7568 55.7853 30.0005 172.9014 11 L 4.6025 8.1154 113.3279 54.5933 43.3561 177.6828 12 F 4.1598 8.2127 122.8706 60.7339 40.3839 176.5751 13 D 4.3341 8.3774 118.3563 57.5128 40.9602 177.4082 14 R 4.1945 7.9169 111.2477 57.2541 29.0466 176.1562 15 I 4.3487 7.1481 117.4357 61.6487 39.9668 175.1927 16 L 4.1860 7.2763 120.1313 56.3339 44.1447 177.8076 *18 L 4.1943 7.5058 116.6853 53.4759 43.1919 179.0135 19 F 4.4491 8.7718 123.0542 56.3840 41.9194 174.6196 20 K 4.6024 8.4978 122.1539 54.1320 33.7692 173.3248 21 P 4.7116 0.0000 0.0000 61.2176 32.1520 174.0562 22 P 4.4808 0.0000 0.0000 64.1823 32.2845 177.4565 23 K 3.8992 8.2066 119.7411 58.8643 32.2909 175.7860 24 Y 4.5017 7.7916 113.3079 56.3672 41.0696 175.4519 25 H 4.9031 8.3671 114.2496 53.4447 27.9553 171.6688 26 P 4.5694 0.0000 0.0000 62.6850 31.4762 177.6994 27 D 4.5349 8.2995 128.7511 52.5729 39.2378 174.7760 *29 P 4.1354 0.0000 0.0000 62.6166 32.7847 176.5551 30 Y 4.5177 8.7212 124.9967 60.2603 38.6798 176.8934 31 V 3.9339 7.4712 114.6953 59.4558 31.5665 175.2078 32 K 4.5196 8.0052 121.8459 55.3944 33.5773 178.4228 33 R 3.9865 8.0636 115.9062 58.8382 29.0996 177.6531 34 V 4.5149 7.5199 107.6692 60.3223 33.2139 176.9519 35 K 4.2181 8.1125 121.2274 59.7020 32.3288 179.2893 36 T 3.8975 7.8729 115.3872 66.3298 67.9278 176.3317 37 W 3.8192 8.1809 129.8776 60.4324 30.9128 177.6577 38 R 4.3119 8.0774 117.1725 58.8203 29.3264 178.1280 39 M 4.2343 7.7248 117.4005 58.3846 31.8993 176.4605 40 H 4.7559 7.5058 114.1229 55.4785 28.9228 175.3001 41 L 4.3989 7.6986 125.9602 54.9846 42.1225 176.3289 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 9 I 8.02 4.22 1.90 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 1.31 1.14 0.93 0.00 0.00 10 Q 7.49 4.45 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.56 7.59 0.00 0.00 0.00 0.00 0.00 2.24 2.52 0.00 11 L 8.12 4.60 0.00 1.72 1.67 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.21 4.16 0.00 3.08 3.11 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 13 D 8.38 4.33 0.00 2.73 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.92 4.19 0.00 1.96 2.03 0.00 3.04 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 15 I 7.15 4.35 1.92 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 1.16 0.92 0.84 0.00 0.00 16 L 7.28 4.19 0.00 1.28 1.01 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 *18 L 7.51 4.19 0.00 1.89 1.88 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.77 4.45 0.00 3.00 3.11 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 20 K 8.50 4.60 0.00 1.72 1.72 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.43 7.81 21 P 0.00 4.71 0.00 2.30 2.09 0.00 3.87 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 22 P 0.00 4.48 0.00 2.20 2.23 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 23 K 8.21 3.90 0.00 1.75 2.01 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.12 7.81 24 Y 7.79 4.50 0.00 2.95 2.90 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 0.00 0.00 0.00 25 H 8.37 4.90 0.00 3.18 3.31 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.57 0.00 2.19 2.16 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 27 D 8.30 4.53 0.00 2.77 2.79 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 *29 P 0.00 4.14 0.00 2.19 2.11 0.00 3.64 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 30 Y 8.72 4.52 0.00 2.81 3.04 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 31 V 7.47 3.93 1.88 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 0.25 0.00 0.00 0.84 0.00 0.00 32 K 8.01 4.52 0.00 1.73 1.76 0.00 1.56 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.50 7.81 33 R 8.06 3.99 0.00 1.87 2.05 0.00 3.03 0.00 0.00 3.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 34 V 7.52 4.51 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 0.78 0.00 0.00 0.89 0.00 0.00 35 K 8.11 4.22 0.00 1.88 1.84 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.52 7.81 36 T 7.87 3.90 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 37 W 8.18 3.82 0.00 3.44 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 4.31 0.00 2.22 1.98 0.00 3.18 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 39 M 7.72 4.23 0.00 2.08 2.35 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.60 0.00 40 H 7.51 4.76 0.00 2.81 3.06 0.00 5.61 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.70 4.40 0.00 1.72 1.63 1.37 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.