NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.0364 8.1245 118.5462 58.9645 37.9782 175.5765 6 E 4.4648 8.0573 114.7786 54.2941 30.8396 179.3196 7 L 4.6847 8.1314 125.2900 52.5984 44.0276 177.3653 8 S 4.4278 8.9714 118.0396 57.9511 65.1118 175.6342 9 L 3.9975 8.3784 121.9609 58.0026 41.3596 179.5616 10 E 4.0486 8.1839 117.9527 59.7107 29.3473 179.4079 11 Q 4.0555 7.9651 117.5868 58.9732 28.3557 178.6501 12 Q 4.0316 8.3906 119.3547 59.0628 28.7025 178.7391 13 F 4.1911 8.3826 121.7789 60.9623 39.3016 177.3783 14 S 4.0939 8.2801 114.3334 61.2929 62.7285 176.6058 15 I 3.6859 7.5100 123.4844 64.1879 37.0281 178.3494 16 R 3.7821 7.4720 118.8798 59.4157 29.8848 178.5014 17 S 3.8350 7.7938 113.2293 61.0982 62.2516 175.8813 18 F 4.1298 8.4467 123.4546 61.2316 39.1932 176.7629 19 A 3.7408 7.9858 120.3932 55.5559 17.8591 179.8176 20 T 3.7316 7.4244 112.6976 66.8038 68.8122 176.6057 21 Q 4.0112 7.8820 119.9508 58.9793 28.4776 179.1600 22 V 3.2390 7.1498 118.2610 65.8870 31.5239 177.8772 23 Q 4.1279 7.5872 116.3275 57.3826 29.6154 177.2105 24 N 4.5182 7.4028 119.4945 51.0434 37.2613 173.5864 *26 S 4.2444 7.4655 119.6371 57.2942 65.0779 175.1363 27 H 4.0578 8.8622 118.9037 59.8930 29.2760 176.6616 28 D 4.3599 8.1207 119.8306 57.3507 40.6852 178.7162 29 Q 4.0189 8.2640 118.3629 58.9220 28.7455 178.6341 30 A 4.0042 8.2729 122.0565 55.1466 18.5009 179.8943 31 K 3.9466 8.1933 117.0785 59.6693 32.1120 179.3667 32 D 4.3893 8.3372 119.2994 57.2928 40.6422 178.6058 33 F 3.9663 8.5273 121.2463 61.0989 39.3500 176.8603 34 L 4.1207 8.3390 120.0713 58.3449 41.9025 179.1852 35 V 3.6260 7.8005 118.0029 65.8868 31.4849 177.9288 36 K 3.9319 8.1714 119.4979 59.2063 31.7824 178.5568 37 L 3.9380 8.0487 120.0955 58.3136 42.1495 177.9667 38 Y 4.1800 8.0649 118.2362 60.6544 39.0339 177.2983 39 E 4.1351 8.4673 120.2079 59.2815 29.8371 179.8295 40 Q 3.9844 8.0215 118.0685 55.9313 28.4818 178.6257 *42 V 3.7722 7.8059 121.0828 62.9004 33.0688 177.4318 43 V 3.5253 7.6139 118.9011 65.9291 31.2491 178.0393 44 R 3.6736 7.9617 118.4905 58.9846 29.7472 177.9998 45 E 3.7107 7.5088 118.3330 58.9177 29.4744 178.6676 46 A 3.9528 7.5368 120.1194 55.2936 18.2439 179.7527 47 T 3.8324 7.6551 114.3692 66.8650 68.5159 176.5939 48 Y 4.3545 7.6659 118.1819 61.4133 37.9005 178.5347 49 Q 4.1095 8.4384 119.0079 58.9346 28.5082 178.7868 50 E 4.0837 7.8826 118.7229 59.1769 28.8149 178.6413 51 L 4.1156 7.8024 120.3337 58.1681 41.9842 178.7604 52 L 4.2407 7.5726 116.3355 56.4779 41.6157 179.2071 53 K 4.0419 7.6488 119.9222 59.9084 32.2120 177.1832 *54 H 4.4015 7.5324 116.0482 55.0290 28.5155 176.5905 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 8.12 4.04 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 1.27 1.21 0.91 0.00 0.00 6 E 8.06 4.46 0.00 2.04 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 2.13 1.96 0.00 7 L 8.13 4.68 0.00 1.64 1.63 0.93 0.96 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 8 S 8.97 4.43 0.00 4.05 4.02 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 0.00 0.00 0.00 0.00 9 L 8.38 4.00 0.00 1.72 1.77 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.18 4.05 0.00 2.04 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 0.00 2.44 2.43 0.00 11 Q 7.97 4.06 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 12 Q 8.39 4.03 0.00 2.31 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 2.57 0.00 13 F 8.38 4.19 0.00 3.27 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.09 0.00 4.13 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 0.00 15 I 7.51 3.69 2.03 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 1.40 0.70 0.93 0.00 0.00 16 R 7.47 3.78 0.00 1.78 1.67 0.00 3.09 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 17 S 7.79 3.83 0.00 3.34 3.63 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 18 F 8.45 4.13 0.00 3.12 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 3.74 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.42 3.73 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 21 Q 7.88 4.01 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 22 V 7.15 3.24 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 -0.23 0.00 0.00 23 Q 7.59 4.13 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.99 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 24 N 7.40 4.52 0.00 2.66 2.82 0.00 0.00 7.16 7.70 0.00 0.00 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 7.47 4.24 0.00 4.09 4.05 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 0.00 0.00 0.00 0.00 27 H 8.86 4.06 0.00 3.19 3.34 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 28 D 8.12 4.36 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 4.02 0.00 2.26 2.22 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 2.43 2.41 0.00 30 A 8.27 4.00 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 31 K 8.19 3.95 0.00 1.79 1.82 0.00 1.34 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.47 7.81 32 D 8.34 4.39 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 3.97 0.00 3.38 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 4.12 0.00 2.08 1.90 1.02 0.76 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 35 V 7.80 3.63 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 0.97 0.00 0.00 0.97 0.00 0.00 36 K 8.17 3.93 0.00 1.85 1.76 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.35 7.81 37 L 8.05 3.94 0.00 1.85 2.06 0.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.06 4.18 0.00 3.08 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.14 0.00 2.19 2.17 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 2.28 2.36 0.00 40 Q 8.02 3.98 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.16 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 *42 V 7.81 3.77 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 0.87 0.00 0.00 0.46 0.00 0.00 43 V 7.61 3.53 2.12 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 0.86 0.00 0.00 0.93 0.00 0.00 44 R 7.96 3.67 0.00 1.88 1.55 0.00 2.91 0.00 0.00 2.93 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.53 0.00 45 E 7.51 3.71 0.00 2.02 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 2.30 2.41 0.00 46 A 7.54 3.95 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 47 T 7.66 3.83 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 1.23 0.00 0.00 48 Y 7.67 4.35 0.00 3.13 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.44 4.11 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 50 E 7.88 4.08 0.00 2.09 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 0.00 2.54 2.45 0.00 51 L 7.80 4.12 0.00 1.75 1.88 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.57 4.24 0.00 1.81 1.72 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.65 4.04 0.00 1.78 1.87 0.00 1.85 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.60 7.81 *54 H 7.53 4.40 0.00 3.10 2.92 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.