NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4800 8.3344 116.8052 58.3415 64.8140 173.0120 8 D 4.8739 7.9937 120.0430 51.5385 43.1327 173.9267 9 F 5.5157 8.8000 117.6679 55.2936 42.0051 173.5291 10 V 4.6594 9.3100 112.7109 59.6321 35.3169 174.7931 11 V 4.7486 8.6723 124.3482 61.4844 33.5742 174.4868 12 I 4.9932 9.0244 128.7956 59.4284 40.4947 174.1394 13 K 5.0567 9.2795 129.1319 54.4221 34.6002 174.8152 14 A 4.6040 8.8364 129.9248 51.8976 19.3790 177.5200 15 L 4.6562 9.1066 122.2701 54.8228 42.7774 175.6301 16 E 4.7747 7.7649 115.7218 54.7512 33.0933 174.3780 17 D 4.5625 8.7202 119.2943 54.1595 42.0715 176.3034 18 G 3.8417 8.4091 106.1905 46.7526 0.0000 174.4166 19 V 4.0047 7.7493 119.1304 62.2741 33.2815 174.1690 20 N 5.2068 9.3578 125.8558 51.9123 41.1719 173.2233 21 V 4.5535 8.8042 127.7052 61.5836 33.0875 173.9826 22 I 4.7528 8.8856 130.4492 59.6755 39.0951 175.2544 23 G 4.3435 9.6471 116.2873 45.1456 0.0000 172.4394 24 L 5.0958 8.7293 124.4188 53.0365 44.3626 178.1962 25 T 4.1087 8.6436 120.9243 66.4196 68.6897 175.1692 *32 F 4.3508 7.7656 118.1013 56.7479 38.6075 177.1658 33 H 4.4203 8.9044 126.4535 57.7454 30.1772 175.0881 34 H 4.7163 8.1511 121.8723 54.7302 32.3645 171.7100 35 S 4.7715 8.5591 120.5916 57.0977 64.4781 173.2452 36 E 4.4621 8.4637 127.5271 55.4412 32.4611 174.9373 37 K 4.7886 8.6761 130.9333 54.9087 33.1767 172.7435 38 L 4.9808 8.9844 123.1683 52.6850 45.5196 175.5279 39 D 5.2358 10.1220 126.0289 52.5544 44.0249 176.4611 *40 K 3.9837 8.7141 122.5211 57.3324 31.4540 177.9340 41 G 4.0922 9.0691 114.6019 44.0442 0.0000 173.2669 42 E 4.3142 8.4019 119.9121 56.1688 30.9424 175.9620 43 V 4.9308 8.2578 121.4673 61.0243 34.5169 174.2184 44 L 4.6919 9.1423 129.7638 53.3189 44.8104 174.9722 45 I 4.8710 8.4993 126.9000 59.9003 38.3295 174.3509 46 A 4.6582 8.9806 130.2797 50.1268 20.9766 175.2375 47 Q 5.0557 8.4822 123.3523 54.2517 31.6106 174.8365 48 F 4.5040 8.7407 124.3973 57.5197 39.6402 175.8549 49 T 4.5806 8.4538 114.7705 59.7794 71.1618 174.2758 50 E 4.1546 8.7656 118.6215 59.8333 29.8866 177.8461 51 H 4.0505 8.5196 116.5363 57.8698 28.8696 174.2994 52 T 4.9560 7.4619 115.4170 61.7103 69.1095 173.9093 53 S 4.5003 8.8437 122.4216 60.5888 63.8429 174.5558 54 A 5.1418 8.0515 120.3775 49.7746 23.0087 174.7491 55 I 4.9572 8.4875 119.1321 59.4552 40.5802 174.7954 56 K 4.5834 9.2156 128.9083 54.5755 34.6243 174.9185 57 V 4.7855 8.4055 126.4646 61.2416 33.7458 174.2888 58 R 4.5668 9.4323 129.6376 55.0867 31.8668 174.8408 59 G 4.2542 8.4007 112.2449 42.9747 0.0000 172.8518 60 K 5.1261 9.2349 119.5289 55.3576 32.7861 176.6209 61 A 5.0808 8.6625 126.1351 50.7089 23.5472 173.6672 62 Y 4.9511 9.1338 121.3685 56.0240 41.0458 174.5922 63 I 4.9887 8.4702 127.3143 59.5093 40.9214 174.2959 64 Q 4.8344 9.1164 126.0384 54.2256 31.5248 174.8836 65 T 4.8761 8.5011 112.8891 59.2089 72.3435 174.6882 66 R 3.6733 8.5272 121.4174 59.5657 29.8217 176.3542 67 H 4.6974 7.5960 112.5713 55.4253 29.0247 173.6932 68 G 3.6775 7.9792 106.9388 44.2086 0.0000 173.5773 69 V 4.4960 7.7974 111.4745 60.7486 33.3763 175.6229 70 I 4.3421 8.0469 120.2579 60.1914 41.8883 172.4274 71 E 5.2297 8.7819 128.3544 54.3821 31.8065 174.9633 72 S 4.6640 9.0231 122.3436 56.9299 65.1040 174.4892 73 E 4.8149 8.8225 124.4190 56.2550 30.5011 176.7684 74 G 3.9913 8.2632 108.0332 43.9197 0.0000 173.9532 75 K 4.2645 8.3179 126.2836 56.3094 32.3718 175.9460 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 7 S 8.33 4.48 0.00 3.92 4.03 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 0.00 0.00 0.00 8 D 7.99 4.87 0.00 2.81 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.80 5.52 0.00 3.13 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 9.31 4.66 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.92 0.00 0.00 11 V 8.67 4.75 2.15 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 1.07 0.00 0.00 1.16 0.00 0.00 12 I 9.02 4.99 1.87 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 1.10 0.53 0.92 0.00 0.00 13 K 9.28 5.06 0.00 1.88 1.80 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 14 A 8.84 4.60 1.30 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 0.00 0.00 0.00 15 L 9.11 4.66 0.00 1.58 1.72 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.76 4.77 0.00 1.91 1.90 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 2.18 2.34 0.00 17 D 8.72 4.56 0.00 2.59 2.63 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 G 8.41 3.84 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 0.00 0.00 0.00 19 V 7.75 4.00 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 1.01 0.00 0.00 1.03 0.00 0.00 20 N 9.36 5.21 0.00 2.79 2.62 0.00 0.00 6.64 7.68 0.00 0.00 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 V 8.80 4.55 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 0.88 0.00 0.00 0.92 0.00 0.00 22 I 8.89 4.75 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 1.15 0.53 0.92 0.00 0.00 23 G 9.65 4.34 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 0.00 24 L 8.73 5.10 0.00 1.87 1.58 0.96 0.92 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 25 T 8.64 4.11 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 1.17 0.00 0.00 *32 F 7.77 4.35 0.00 2.32 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 0.00 0.00 0.00 33 H 8.90 4.42 0.00 3.10 3.58 0.00 5.84 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.15 4.72 0.00 3.07 3.11 0.00 5.82 0.00 0.00 0.00 0.00 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.56 4.77 0.00 3.88 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.46 4.46 0.00 1.96 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 2.17 2.27 0.00 37 K 8.68 4.79 0.00 1.58 1.57 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.65 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.35 1.04 7.81 38 L 8.98 4.98 0.00 1.65 1.54 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 39 D 10.12 5.24 0.00 2.81 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *40 K 8.71 3.98 0.00 1.76 1.68 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.31 7.81 41 G 9.07 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.40 4.31 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 43 V 8.26 4.93 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.14 4.69 0.00 1.72 1.46 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.50 4.87 1.73 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.91 0.61 0.00 0.00 46 A 8.98 4.66 1.12 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 0.00 0.00 47 Q 8.48 5.06 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 48 F 8.74 4.50 0.00 3.07 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.45 4.58 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 1.24 0.00 0.00 50 E 8.77 4.15 0.00 2.11 2.15 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 2.34 2.35 0.00 51 H 8.52 4.05 0.00 3.29 3.46 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.46 4.96 4.34 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 1.33 0.00 0.00 53 S 8.84 4.50 0.00 3.91 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 54 A 8.05 5.14 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.49 4.96 1.83 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.60 0.85 0.00 0.00 56 K 9.22 4.58 0.00 1.81 1.65 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.37 7.81 57 V 8.41 4.79 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 0.92 0.00 0.00 58 R 9.43 4.57 0.00 1.91 1.76 0.00 3.13 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 59 G 8.40 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.23 5.13 0.00 1.76 1.79 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.25 7.81 61 A 8.66 5.08 1.21 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 0.00 0.00 0.00 62 Y 9.13 4.95 0.00 2.99 2.83 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 0.00 0.00 0.00 63 I 8.47 4.99 1.87 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 1.20 0.53 0.85 0.00 0.00 64 Q 9.12 4.83 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 65 T 8.50 4.88 4.13 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 1.18 0.00 0.00 66 R 8.53 3.67 0.00 1.58 1.79 0.00 3.18 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 67 H 7.60 4.70 0.00 3.20 3.25 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.98 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.80 4.50 1.63 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 0.67 0.00 0.00 0.98 0.00 0.00 70 I 8.05 4.34 1.83 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 1.10 1.19 0.86 0.00 0.00 71 E 8.78 5.23 0.00 2.09 1.84 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 2.23 2.37 0.00 72 S 9.02 4.66 0.00 3.93 3.98 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 73 E 8.82 4.81 0.00 1.84 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 2.21 2.29 0.00 74 G 8.26 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.32 4.26 0.00 1.71 1.67 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.34 7.81 * Residues marked with a * may have inaccurate shift predictions.