NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.1534 8.0244 118.5497 59.2007 37.2311 175.0320 6 E 3.9474 8.6673 126.5161 54.6788 30.1615 175.0399 7 L 4.3212 8.1309 125.8051 54.2740 43.5092 177.2476 8 S 4.3858 8.7999 116.8498 58.2205 64.9996 175.5239 9 L 4.0556 8.5936 124.9337 58.7495 41.3245 180.3761 10 E 4.1369 8.1260 117.8373 61.0608 29.8081 181.7211 11 Q 4.2554 8.2072 118.7208 59.0113 28.6939 178.7555 12 Q 4.0469 8.4537 119.4349 58.9339 28.6706 178.7037 13 F 4.1697 8.4950 121.9362 61.2451 39.4520 177.3100 14 S 4.0831 8.2964 114.0289 61.5704 62.6372 176.6592 15 I 3.7975 7.8971 123.4002 64.1604 36.9957 178.6462 16 R 3.8842 8.1995 119.1486 59.2238 29.8322 179.3045 17 S 3.9034 8.0303 115.3318 61.4649 62.7573 176.4821 18 F 4.1030 8.2066 123.1121 61.2451 39.0529 176.9515 19 A 3.7563 8.3342 120.7228 55.3438 18.2188 179.8117 20 T 3.6980 7.6673 113.9461 66.7240 68.2762 176.8439 21 Q 3.8362 7.5021 118.8536 58.9943 28.7980 178.9475 22 V 3.3261 7.0025 117.8424 65.7578 31.5454 177.2576 23 Q 4.0243 7.7502 118.4210 58.7861 30.1993 177.7942 24 N 4.5387 7.3622 117.9025 51.0306 35.6105 174.0084 *26 S 4.2460 7.0898 117.3574 57.8159 65.1984 175.2414 27 H 4.1360 8.8334 119.6741 59.7875 29.4255 176.8534 28 D 4.2840 8.0633 119.8594 57.5321 40.7228 178.6359 29 Q 4.0495 8.2247 118.2284 58.9318 28.6188 178.8598 30 A 4.0308 8.2707 121.8586 55.0231 18.4223 179.7952 31 K 3.9301 8.3097 117.1684 59.7858 32.2881 179.2269 32 D 4.3766 8.2147 119.0404 57.4028 40.7475 178.7355 33 F 3.9713 8.4766 121.0779 61.1727 39.3542 176.8944 34 L 4.1877 8.4894 120.3269 58.2111 41.8907 179.0905 35 V 3.6156 7.8739 118.1997 65.9858 31.4353 178.1933 36 K 3.9407 7.9346 117.7765 59.2831 31.6368 179.1067 37 L 3.8784 8.1017 119.9799 58.1823 42.1135 177.9301 38 Y 4.1534 8.0508 118.4639 60.7313 38.9975 177.3293 39 E 4.1621 8.2840 120.0710 59.4535 29.5898 180.0571 40 Q 4.1608 7.9729 115.7857 56.3583 28.8443 178.7121 *42 V 3.8016 7.7631 121.5529 62.9441 33.5141 177.6594 43 V 3.5885 7.8894 118.8895 65.9537 31.1876 178.1924 44 R 3.9063 8.2022 118.0706 59.4061 29.9431 178.8405 45 E 3.9736 8.1581 117.5729 59.4466 29.5355 179.1932 46 A 4.0301 8.1541 120.7470 55.3676 18.3548 179.8820 47 T 3.8146 8.1297 114.3708 66.8707 68.5482 176.2318 48 Y 4.1189 8.3165 121.6906 60.9767 38.8505 178.2589 49 Q 3.8514 8.1542 118.8584 58.9214 28.4328 178.7516 50 E 4.0505 8.1120 119.5731 59.3286 29.3284 179.3222 51 L 4.0101 7.8807 117.9489 57.3376 41.6662 179.1845 52 L 3.9652 7.4340 118.7079 57.5889 41.4954 179.0172 53 K 4.0637 7.5200 119.0560 60.2712 32.1115 177.3858 *54 H 4.4030 7.8822 119.6264 54.7883 27.9671 177.3102 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 5 I 8.02 4.15 1.87 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 1.30 1.21 0.91 0.00 0.00 6 E 8.67 3.95 0.00 2.00 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 2.30 2.40 0.00 7 L 8.13 4.32 0.00 1.69 1.60 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.80 4.39 0.00 4.06 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 9 L 8.59 4.06 0.00 1.68 1.78 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.13 4.14 0.00 1.97 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 2.31 1.96 0.00 11 Q 8.21 4.26 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 12 Q 8.45 4.05 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 13 F 8.50 4.17 0.00 3.23 3.24 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 14 S 8.30 4.08 0.00 4.14 4.32 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.90 3.80 1.89 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 1.54 0.79 0.96 0.00 0.00 16 R 8.20 3.88 0.00 1.91 1.88 0.00 3.13 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 17 S 8.03 3.90 0.00 3.60 3.71 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 18 F 8.21 4.10 0.00 3.16 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.33 3.76 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.67 3.70 4.30 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 1.14 0.00 0.00 21 Q 7.50 3.84 0.00 1.77 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 22 V 7.00 3.33 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 0.60 0.00 0.00 -0.05 0.00 0.00 23 Q 7.75 4.02 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.26 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 24 N 7.36 4.54 0.00 2.80 2.72 0.00 0.00 7.05 6.90 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 *26 S 7.09 4.25 0.00 4.03 4.04 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 27 H 8.83 4.14 0.00 3.19 3.34 0.00 5.70 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 28 D 8.06 4.28 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.22 4.05 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 30 A 8.27 4.03 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 31 K 8.31 3.93 0.00 1.92 1.87 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.49 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.63 7.81 32 D 8.21 4.38 0.00 2.91 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 33 F 8.48 3.97 0.00 3.31 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.49 4.19 0.00 2.00 1.96 1.05 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.87 3.62 2.10 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 0.99 0.00 0.00 0.96 0.00 0.00 36 K 7.93 3.94 0.00 1.81 1.65 0.00 1.74 0.00 0.00 1.42 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.40 7.81 37 L 8.10 3.88 0.00 1.80 1.97 0.94 1.01 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 38 Y 8.05 4.15 0.00 3.10 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.28 4.16 0.00 2.16 2.10 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 2.30 2.38 0.00 40 Q 7.97 4.16 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.16 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 *42 V 7.76 3.80 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 0.91 0.00 0.00 0.52 0.00 0.00 43 V 7.89 3.59 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.93 0.00 0.00 44 R 8.20 3.91 0.00 1.90 1.93 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 45 E 8.16 3.97 0.00 2.09 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 2.34 2.26 0.00 46 A 8.15 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.13 3.81 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 48 Y 8.32 4.12 0.00 3.00 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 49 Q 8.15 3.85 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.68 2.57 0.00 50 E 8.11 4.05 0.00 2.23 1.96 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 2.31 2.47 0.00 51 L 7.88 4.01 0.00 1.67 1.68 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.43 3.97 0.00 1.57 1.54 0.62 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.52 4.06 0.00 1.91 1.79 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.54 7.81 *54 H 7.88 4.40 0.00 2.93 2.83 0.00 7.23 0.00 0.00 0.00 0.00 6.91 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.