NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2631 8.1127 120.8596 56.4968 32.5300 177.1687 2 M 3.8181 8.1804 117.3091 58.2922 32.0958 176.7368 3 K 4.2919 8.6658 120.7818 59.0608 32.7355 178.8101 4 Q 4.0317 8.0297 117.8754 58.9799 28.6881 178.7525 5 L 4.0306 8.1850 120.1338 57.6903 41.1556 179.3342 6 E 3.9853 8.3019 118.6225 59.5116 29.3727 179.0956 7 D 4.5715 8.1963 118.8853 57.2123 40.8276 178.7602 8 K 3.8885 8.0537 120.1225 59.4293 32.2304 178.7827 9 V 3.5486 7.7946 118.4627 66.1984 31.1606 177.7710 10 E 3.9680 7.8757 116.9490 59.4036 29.4046 178.9216 11 E 4.1103 8.0892 116.4220 59.5315 29.8764 178.9206 12 L 4.1597 8.1516 120.1315 56.9765 41.6090 179.5114 13 L 3.9991 8.1596 118.0796 55.4317 41.7018 178.4072 *15 K 4.2216 8.0034 120.1254 55.9374 34.1072 177.0192 16 N 4.2191 8.3259 116.9268 57.1678 38.7205 176.4662 17 Y 4.4723 7.9283 117.9195 61.2396 37.9728 177.5704 18 H 4.1977 8.3913 118.7948 59.5304 29.8940 177.1791 19 L 3.9675 8.2663 120.8024 57.6413 41.4158 179.2792 20 E 4.0027 8.6684 119.1398 59.4177 29.4016 179.1845 21 N 4.3253 8.3542 116.5462 56.1489 38.5538 176.9595 22 E 3.8725 8.1489 120.6912 59.2738 29.6651 178.8176 23 V 3.5346 8.0451 118.2394 66.1038 31.5705 177.6182 24 A 3.9947 7.9362 120.2044 55.4428 18.1222 179.9078 25 R 3.8892 8.0845 116.3484 59.3956 30.2887 179.3406 26 L 3.9896 8.1860 119.0173 57.5782 41.5975 179.6634 27 K 4.0244 8.5979 121.3924 60.1296 31.5615 180.2029 28 K 4.0358 8.1214 123.9097 59.4368 31.3677 180.4806 29 L 4.2032 7.9666 120.9225 58.0294 42.0827 178.8256 30 V 4.2168 7.4491 108.1038 60.3137 31.7672 176.2839 31 G 3.8591 7.5350 105.3480 46.4698 0.0000 173.8386 32 E 4.1154 8.1901 125.9959 56.0100 29.5795 176.0517 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 R 8.11 4.26 0.00 1.86 1.99 0.00 3.16 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 2 M 8.18 3.82 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.75 0.00 3 K 8.67 4.29 0.00 1.84 1.84 0.00 2.00 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.38 7.81 4 Q 8.03 4.03 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 5 L 8.18 4.03 0.00 1.85 1.71 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.30 3.99 0.00 2.21 2.00 0.00 0.00 0.00 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 2.51 0.00 7 D 8.20 4.57 0.00 2.92 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 3.89 0.00 1.87 1.95 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 V 7.79 3.55 2.22 0.00 0.00 0.00 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 0.99 0.00 0.00 10 E 7.88 3.97 0.00 2.21 2.00 0.00 0.00 0.00 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 2.43 0.00 11 E 8.09 4.11 0.00 2.12 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 2.38 2.34 0.00 12 L 8.15 4.16 0.00 1.80 1.71 0.90 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.16 4.00 0.00 1.66 1.70 0.44 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 *15 K 8.00 4.22 0.00 2.02 1.98 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.01 7.81 16 N 8.33 4.22 0.00 2.75 2.71 0.00 0.00 7.26 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.93 4.47 0.00 3.11 2.89 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 0.00 0.00 0.00 18 H 8.39 4.20 0.00 3.22 3.55 0.00 5.67 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 L 8.27 3.97 0.00 1.86 1.69 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.67 4.00 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 21 N 8.35 4.33 0.00 2.90 2.86 0.00 0.00 6.64 7.19 0.00 0.00 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 8.15 3.87 0.00 2.03 2.03 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 2.28 2.29 0.00 23 V 8.05 3.53 2.21 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 1.01 0.00 0.00 0.99 0.00 0.00 24 A 7.94 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 8.08 3.89 0.00 1.88 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.94 0.00 26 L 8.19 3.99 0.00 1.86 1.71 0.92 0.87 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 27 K 8.60 4.02 0.00 2.00 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.58 7.81 28 K 8.12 4.04 0.00 1.78 1.82 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 29 L 7.97 4.20 0.00 1.74 1.91 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.45 4.22 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 0.85 0.00 0.00 1.02 0.00 0.00 31 G 7.54 3.86 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 0.00 0.00 0.00 32 E 8.19 4.12 0.00 1.96 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 2.30 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.