NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3213 8.2644 123.5834 52.1615 20.9331 177.4873 10 L 4.1354 7.5763 117.8306 56.0764 44.3337 174.4860 11 Q 4.6240 9.0152 115.4468 56.4331 32.6048 174.4584 12 C 5.1036 9.1705 125.0041 55.0967 44.1804 172.4885 13 F 4.9342 8.6655 122.2344 57.3267 39.6774 175.3131 14 C 4.8269 7.9236 126.1725 55.5174 45.1758 172.6257 15 H 4.8204 8.8273 122.6526 57.9479 30.5118 175.8512 16 L 4.0978 7.6246 115.4405 55.5134 42.7261 177.7630 17 C 4.3981 7.5123 118.5870 55.9036 38.4500 173.6565 18 T 2.6845 6.6338 112.7321 68.2038 69.1125 174.9593 19 K 4.3726 7.5249 124.9690 56.9155 32.3303 177.4481 20 D 4.6592 7.7287 114.5737 54.3368 42.8969 175.7490 21 N 3.9761 8.8813 112.6184 57.6349 36.9520 174.8659 22 F 3.4081 7.5279 111.7693 57.9321 36.7035 174.1936 23 T 5.2340 6.9662 109.5901 61.1473 72.7460 171.6343 24 C 4.9208 8.2177 112.5835 55.0528 45.2945 173.2941 25 V 4.7129 8.5697 113.9294 60.2003 33.4992 174.7283 26 T 4.9981 8.2680 118.3616 60.2901 72.0993 174.3454 27 D 4.4797 8.8114 121.4401 55.1207 41.4564 175.5642 28 G 4.0087 8.4680 106.4596 46.0438 0.0000 175.3509 29 L 4.8058 8.9024 123.4199 54.0222 48.1262 175.4077 30 C 5.0024 8.7951 117.2035 55.6311 39.9605 173.5217 31 F 5.1856 9.2491 126.9151 57.6249 41.1472 174.8710 32 V 5.3947 7.1794 116.4492 60.7069 36.4764 173.4801 33 S 5.5661 8.3429 118.1718 56.1038 66.3630 171.9702 34 V 4.5324 7.8433 111.0354 60.1765 35.9483 175.4661 35 T 4.6811 8.3500 125.5234 63.9893 67.2486 177.5875 *39 D 4.3490 8.3658 120.5253 54.4206 41.0270 174.6552 40 K 4.0978 8.0166 122.8544 56.1518 33.0251 176.2609 41 V 4.5002 7.8769 118.2243 61.4627 34.3588 173.8136 42 I 4.6028 8.3727 118.9508 60.2896 40.7032 172.8492 43 H 4.8274 7.8082 114.3674 55.0687 31.1358 172.4147 44 N 5.2057 8.7086 115.5839 52.0658 42.3372 173.1474 45 S 6.0807 8.7602 119.7299 56.4480 66.9333 172.5898 46 M 4.4533 8.3640 117.6218 55.4411 33.7936 174.0864 47 C 5.0701 8.8304 116.4148 56.1573 36.9129 174.1610 48 I 4.5427 8.0783 119.6977 59.4429 40.5147 174.8683 49 A 4.3079 8.7205 129.2737 52.0761 18.6075 177.9786 50 E 3.9513 8.6450 120.2632 58.7465 29.9754 179.0178 51 I 3.9037 7.6419 117.4619 63.1168 38.3108 176.0847 52 D 4.4612 7.7134 119.0040 56.1120 40.9871 176.4164 53 L 4.1384 7.2101 117.4858 55.0752 40.9459 175.9883 54 I 4.7157 7.9403 124.0024 58.6463 41.0173 172.4164 55 P 4.6975 0.0000 0.0000 62.6359 32.8359 178.3220 56 R 3.4264 8.0996 121.3365 58.3026 31.3224 176.7585 57 D 4.5405 7.9044 118.0820 57.8457 41.1220 177.8900 58 R 4.6187 8.4710 117.7998 54.1673 31.8020 170.9171 59 P 4.4985 0.0000 0.0000 62.1320 31.5601 178.4532 60 F 4.3491 9.1562 118.2810 59.6812 37.9940 177.9817 61 V 3.4855 6.7490 113.6739 63.5664 31.3617 177.2937 62 C 4.7735 7.9534 114.6438 56.8513 40.8868 174.0788 63 A 4.2591 7.3907 121.5575 50.6900 19.3788 174.6878 *72 T 4.2574 8.0312 115.4497 64.5428 69.7144 174.0003 73 T 4.6134 7.9522 122.5540 62.3951 72.5196 173.0357 74 T 4.6647 7.4067 114.8603 61.7469 70.0353 172.2439 75 Y 4.6303 8.7235 126.2380 56.3991 41.9814 174.1080 76 C 5.9817 8.8593 119.2196 53.9102 35.7126 172.4970 77 C 4.5662 8.3519 117.0217 54.5809 43.1890 173.5794 78 N 5.1725 8.1914 117.5112 51.8750 38.8074 172.9928 79 Q 4.2456 7.4297 122.3732 55.4772 32.4613 174.0061 80 D 5.6742 8.5506 122.1342 54.4638 43.6693 175.7864 81 H 4.0988 8.7078 121.6193 57.3465 26.8417 174.5986 82 C 4.7307 7.8731 110.6502 54.6551 41.3805 174.6272 83 N 4.7750 7.4207 116.0377 51.8528 40.0651 176.4071 84 K 4.1773 8.0122 125.2230 56.1533 33.3134 177.3553 85 I 3.9665 7.7768 113.2081 62.0916 37.3308 174.4414 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 A 8.26 4.32 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 10 L 7.58 4.14 0.00 1.66 1.75 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 9.02 4.62 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.45 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 12 C 9.17 5.10 0.00 2.88 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 13 F 8.67 4.93 0.00 3.07 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 14 C 7.92 4.83 0.00 2.96 2.88 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 0.00 0.00 0.00 0.00 15 H 8.83 4.82 0.00 3.33 3.59 0.00 5.79 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 16 L 7.62 4.10 0.00 1.58 1.58 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17 C 7.51 4.40 0.00 2.70 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 6.63 2.68 4.06 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 0.00 0.00 0.00 1.12 0.00 0.00 19 K 7.52 4.37 0.00 1.65 1.76 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.49 7.81 20 D 7.73 4.66 0.00 2.73 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.88 3.98 0.00 2.82 2.91 0.00 0.00 7.38 7.45 0.00 0.00 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 F 7.53 3.41 0.00 3.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 6.97 5.23 4.24 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 1.39 0.00 0.00 24 C 8.22 4.92 0.00 2.97 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 25 V 8.57 4.71 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 0.81 0.00 0.00 0.93 0.00 0.00 26 T 8.27 5.00 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 1.24 0.00 0.00 27 D 8.81 4.48 0.00 2.63 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 28 G 8.47 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.90 4.81 0.00 1.62 1.75 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.80 5.00 0.00 2.95 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 31 F 9.25 5.19 0.00 3.15 2.95 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 0.00 0.00 0.00 32 V 7.18 5.39 1.98 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 0.81 0.00 0.00 0.96 0.00 0.00 33 S 8.34 5.57 0.00 3.89 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.84 4.53 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 0.81 0.00 0.00 0.99 0.00 0.00 35 T 8.35 4.68 4.27 0.00 0.00 0.00 0.00 0.00 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 *39 D 8.37 4.35 0.00 2.66 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.10 0.00 1.79 1.78 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.45 7.81 41 V 7.88 4.50 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 0.87 0.00 0.00 0.94 0.00 0.00 42 I 8.37 4.60 1.85 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 1.37 0.71 0.90 0.00 0.00 43 H 7.81 4.83 0.00 3.28 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.71 5.21 0.00 2.96 2.80 0.00 0.00 7.37 7.05 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 45 S 8.76 6.08 0.00 4.15 4.14 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 46 M 8.36 4.45 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 47 C 8.83 5.07 0.00 2.88 3.05 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 48 I 8.08 4.54 1.88 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 1.07 1.22 0.85 0.00 0.00 49 A 8.72 4.31 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.64 3.95 0.00 2.26 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 2.30 2.24 0.00 51 I 7.64 3.90 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 1.42 0.93 0.91 0.00 0.00 52 D 7.71 4.46 0.00 2.86 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 53 L 7.21 4.14 0.00 1.71 1.64 0.92 0.70 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 54 I 7.94 4.72 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.15 1.03 0.00 0.00 55 P 0.00 4.70 0.00 2.14 2.22 0.00 3.99 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 56 R 8.10 3.43 0.00 1.87 1.99 0.00 3.41 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 57 D 7.90 4.54 0.00 2.66 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.47 4.62 0.00 1.71 1.82 0.00 3.29 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 59 P 0.00 4.50 0.00 2.12 2.17 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 60 F 9.16 4.35 0.00 3.27 3.36 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 61 V 6.75 3.49 1.76 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 0.12 0.00 0.00 0.55 0.00 0.00 62 C 7.95 4.77 0.00 2.98 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 63 A 7.39 4.26 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *72 T 8.03 4.26 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 1.31 0.00 0.00 73 T 7.95 4.61 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 0.95 0.00 0.00 74 T 7.41 4.66 4.18 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 1.10 0.00 0.00 75 Y 8.72 4.63 0.00 2.80 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 76 C 8.86 5.98 0.00 2.83 3.03 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 77 C 8.35 4.57 0.00 3.00 3.21 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 78 N 8.19 5.17 0.00 2.66 2.76 0.00 0.00 6.82 7.08 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 79 Q 7.43 4.25 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.73 6.45 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 80 D 8.55 5.67 0.00 2.67 2.70 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 0.00 0.00 0.00 0.00 81 H 8.71 4.10 0.00 3.24 3.42 0.00 5.86 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 C 7.87 4.73 0.00 3.02 3.10 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 0.00 0.00 0.00 83 N 7.42 4.78 0.00 2.30 2.63 0.00 0.00 7.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.01 4.18 0.00 1.42 1.57 0.00 1.14 0.00 0.00 1.26 0.00 0.00 2.82 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.23 1.20 7.81 85 I 7.78 3.97 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.39 0.82 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.