NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 H 4.8166 8.4449 117.4138 53.3311 29.7472 173.0245 5 P 2.0000 0.0000 0.0000 58.6212 31.6794 173.9514 6 P 4.1980 0.0000 0.0000 62.1250 33.2024 175.2918 7 N 4.7012 8.3753 118.2379 52.3944 38.4837 174.2577 8 R 4.6705 8.3289 127.0083 54.3560 33.4293 176.4593 9 R 3.8775 8.5569 120.5696 57.5727 29.7938 175.8862 10 G 3.9976 8.7719 108.7394 45.1180 0.0000 173.4578 11 I 4.2263 7.0893 120.1530 59.2391 39.4027 175.0363 12 S 4.5413 8.0751 120.2488 56.8426 64.7175 175.2919 13 F 4.5413 8.3564 126.2656 56.0209 37.4128 174.2640 14 E 4.7977 7.6799 121.7046 53.8167 33.8358 175.4165 15 V 3.8461 8.4610 122.5120 64.7601 31.8110 176.3085 16 G 3.8781 9.3717 116.2199 44.7746 0.0000 173.2481 17 A 4.2181 8.0913 122.6016 51.8939 19.6017 176.7421 18 Q 4.9191 8.3509 120.1526 55.0935 30.9201 175.4053 19 L 4.3636 7.9862 120.7154 55.4968 44.1899 172.9883 20 E 5.2748 8.7228 116.7184 55.1065 33.5158 175.1876 21 A 5.2849 8.7789 122.8244 50.2577 23.3050 175.1314 22 R 4.1921 8.8148 121.7614 55.0462 30.5702 176.4217 23 D 4.3711 8.8360 129.4156 52.9470 40.3266 178.0176 24 R 3.9131 8.3498 117.0157 58.3020 29.2773 175.4540 25 L 4.4491 7.9710 114.8383 54.4280 42.0414 176.4939 26 K 3.6985 7.8943 116.8179 57.9958 29.9243 175.3397 27 N 5.0613 7.7081 114.5961 51.0158 42.4714 175.0884 28 W 4.8520 8.9613 123.9087 56.9094 29.9529 175.0151 29 Y 4.8988 9.1554 126.4650 54.5191 42.2014 172.8110 30 P 4.7020 0.0000 0.0000 63.6143 32.5841 174.9007 31 A 5.0726 9.0785 123.9337 51.1368 23.4622 173.9122 32 H 5.2508 8.4828 113.0226 54.3486 32.8830 172.8771 33 I 4.4848 8.2924 120.3699 60.8711 37.3271 176.5607 34 E 4.2427 8.7933 127.8260 58.5375 30.4367 176.2163 35 D 4.7473 7.5143 116.2315 53.4142 44.9294 174.1450 36 I 5.0140 8.4462 122.3589 59.6711 40.7769 174.9743 37 D 4.7376 9.2013 127.6200 52.8121 40.9809 176.3055 38 Y 4.3512 8.6666 123.3974 60.0870 38.6394 177.5655 39 E 4.0631 8.4191 120.1753 59.0695 29.8395 177.0840 40 E 4.0999 8.4247 114.9807 55.4358 30.2066 176.0353 41 G 2.0000 7.1691 106.9195 46.1823 0.0000 173.2110 42 K 5.0197 7.0876 116.7571 54.1788 36.5609 176.7403 43 V 5.0357 9.3970 116.0505 59.5689 35.1755 174.5819 44 L 3.8714 8.7128 128.0773 54.2473 43.0441 175.2015 45 I 4.7532 8.8806 127.9659 59.7235 39.9705 174.0946 46 H 5.1563 8.4536 126.1696 53.1839 32.5816 172.5976 47 F 4.3627 8.3456 127.8191 57.0759 39.8044 175.8849 48 K 3.9121 8.4225 127.8649 57.2305 31.7097 173.8617 49 R 4.2321 9.0213 120.6528 55.7317 26.7850 172.6009 50 W 4.9148 8.0552 120.1182 56.5508 30.8362 176.7453 51 N 4.6557 8.7431 117.6151 52.7732 37.4997 176.7462 52 H 4.7570 9.0674 119.6188 56.5135 29.0104 177.3993 53 R 3.8361 7.9680 119.8844 58.7707 30.0344 176.4176 54 Y 4.9845 7.9824 113.6402 57.7599 38.2690 175.3865 55 D 4.8363 7.8352 121.0992 54.6928 42.1158 175.0880 56 E 4.7367 9.1062 121.7024 54.4005 33.8688 173.8972 57 W 5.1908 8.7467 124.6712 55.9914 30.3321 175.7020 58 F 4.9891 9.4323 123.6329 55.3033 42.1571 174.3934 59 C 4.5801 8.9057 123.6008 59.1503 32.1396 174.2806 60 W 4.3783 8.8781 123.5245 58.3728 27.6358 176.2575 61 D 4.8213 8.0965 117.8749 54.1711 41.3801 176.5037 62 S 4.3628 8.4419 116.7661 57.9641 62.7594 172.7515 63 P 4.6353 0.0000 0.0000 64.2640 31.6683 175.7857 64 Y 4.9389 7.8776 115.8808 58.1715 38.9442 174.5405 65 L 5.4779 7.8268 118.3790 53.0492 44.7935 176.1010 66 R 4.7632 9.2395 118.9694 53.6461 33.2639 172.8742 67 P 4.4945 0.0000 0.0000 62.9945 31.5241 176.3547 68 L 3.9692 8.3979 123.2210 57.4141 42.5316 177.2906 69 E 4.2252 7.9146 118.4623 55.9896 29.9252 180.8045 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 *4 H 8.44 4.82 0.00 2.95 2.93 0.00 7.18 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 5 P 0.00 2.00 0.00 1.81 1.28 0.00 3.52 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.80 0.00 6 P 0.00 4.20 0.00 2.07 1.86 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.89 0.00 7 N 8.38 4.70 0.00 2.66 2.78 0.00 0.00 6.80 7.65 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 8 R 8.33 4.67 0.00 2.00 1.82 0.00 3.34 0.00 0.00 3.85 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 9 R 8.56 3.88 0.00 1.83 1.73 0.00 3.36 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 10 G 8.77 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 0.00 0.00 0.00 11 I 7.09 4.23 1.56 0.00 0.00 0.81 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 0.56 -0.01 0.00 0.00 12 S 8.08 4.54 0.00 3.70 3.69 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 13 F 8.36 4.54 0.00 3.03 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 14 E 7.68 4.80 0.00 1.93 1.81 0.00 0.00 0.00 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 2.24 0.00 15 V 8.46 3.85 2.14 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 0.82 0.00 0.00 1.03 0.00 0.00 16 G 9.37 3.88 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 0.00 0.00 0.00 17 A 8.09 4.22 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.35 4.92 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.62 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 19 L 7.99 4.36 0.00 1.77 1.61 0.79 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.72 5.27 0.00 1.99 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 2.32 2.19 0.00 21 A 8.78 5.28 0.76 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 0.00 0.00 22 R 8.81 4.19 0.00 0.67 1.56 0.00 2.21 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 23 D 8.84 4.37 0.00 2.43 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.35 3.91 0.00 1.85 1.89 0.00 3.24 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 25 L 7.97 4.45 0.00 1.72 1.61 0.71 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.89 3.70 0.00 1.84 1.81 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.32 7.81 27 N 7.71 5.06 0.00 2.98 2.78 0.00 0.00 7.01 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 28 W 8.96 4.85 0.00 3.26 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.16 4.90 0.00 3.17 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 30 P 0.00 4.70 0.00 1.98 1.98 0.00 2.20 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.46 0.00 31 A 9.08 5.07 0.70 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 0.00 0.00 32 H 8.48 5.25 0.00 3.22 3.46 0.00 5.26 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.29 4.48 2.07 0.00 0.00 0.91 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 0.89 1.01 0.00 0.00 34 E 8.79 4.24 0.00 1.71 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 35 D 7.51 4.75 0.00 2.66 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.45 5.01 1.71 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.88 0.24 0.00 0.00 37 D 9.20 4.74 0.00 2.31 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.67 4.35 0.00 3.10 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 39 E 8.42 4.06 0.00 1.91 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 2.25 2.33 0.00 40 E 8.42 4.10 0.00 1.82 1.74 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 2.14 2.05 0.00 41 G 7.17 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 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.09 5.02 0.00 1.47 1.85 0.00 1.30 0.00 0.00 1.53 0.00 0.00 2.76 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.26 7.81 43 V 9.40 5.04 2.26 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 1.12 0.00 0.00 1.25 0.00 0.00 44 L 8.71 3.87 0.00 0.27 1.06 -0.16 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.88 4.75 2.09 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.36 0.12 0.00 0.00 46 H 8.45 5.16 0.00 3.17 2.78 0.00 5.82 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.35 4.36 0.00 1.51 1.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.42 3.91 0.00 1.80 1.66 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.30 7.81 49 R 9.02 4.23 0.00 2.00 1.97 0.00 3.22 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.21 0.00 50 W 8.06 4.91 0.00 3.32 3.31 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 0.00 51 N 8.74 4.66 0.00 2.65 2.71 0.00 0.00 6.60 7.90 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 52 H 9.07 4.76 0.00 3.21 3.41 0.00 5.59 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.97 3.84 0.00 1.59 1.53 0.00 2.90 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.40 0.00 54 Y 7.98 4.98 0.00 3.58 3.26 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 0.00 55 D 7.84 4.84 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 56 E 9.11 4.74 0.00 2.11 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 1.89 2.24 0.00 57 W 8.75 5.19 0.00 3.15 3.06 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 0.00 58 F 9.43 4.99 0.00 2.95 3.01 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 59 C 8.91 4.58 0.00 3.00 2.90 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 0.00 0.00 0.00 60 W 8.88 4.38 0.00 2.21 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 61 D 8.10 4.82 0.00 2.83 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 62 S 8.44 4.36 0.00 4.31 4.08 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 0.00 0.00 0.00 63 P 0.00 4.64 0.00 2.00 2.08 0.00 3.93 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.86 0.00 64 Y 7.88 4.94 0.00 3.34 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 65 L 7.83 5.48 0.00 1.83 1.58 1.17 0.28 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 66 R 9.24 4.76 0.00 1.50 1.62 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.23 0.00 67 P 0.00 4.49 0.00 2.09 1.92 0.00 3.62 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 68 L 8.40 3.97 0.00 1.52 1.65 0.88 0.79 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 69 E 7.91 4.23 0.00 2.02 1.68 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 2.15 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.