NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3079 8.2644 123.5833 52.1165 20.9374 177.2778 10 L 4.1561 7.5257 117.4020 55.9757 44.5435 174.4844 11 Q 4.5954 8.9771 115.5311 56.4307 32.5172 174.3635 12 C 5.1466 9.1011 124.7658 55.0060 44.3481 172.5075 13 F 4.9283 8.6661 122.2241 57.3797 39.6914 175.2822 14 C 4.8503 7.9143 126.2195 55.4600 45.3131 172.6808 15 H 4.7870 8.8228 122.8147 58.0213 30.4400 175.9721 16 L 4.0772 7.6302 115.5247 55.7003 42.7941 177.8736 17 C 4.4076 7.5113 118.6110 55.7666 38.2329 173.4548 18 T 2.7457 6.6395 113.4781 68.1602 69.1576 175.2303 19 K 4.3862 7.4886 125.0097 56.6472 32.4527 177.4093 20 D 4.6787 7.7754 114.8457 54.6624 42.3269 175.8100 21 N 4.5232 9.3090 111.9723 53.9695 37.0503 173.5693 22 F 3.5266 7.8088 112.1270 59.4232 36.5227 173.7649 23 T 5.1884 7.2065 108.2144 61.2543 72.6750 171.0872 24 C 4.9369 8.0861 112.7521 55.1851 45.3510 173.3175 25 V 4.7900 8.5438 113.3037 60.1196 33.8945 174.7162 26 T 4.9641 8.3185 118.7288 60.5151 72.1253 174.5772 27 D 4.5162 8.8392 121.6094 55.1023 41.5583 175.6745 28 G 3.9430 8.4661 106.2537 45.9218 0.0000 175.3128 29 L 4.8058 8.9005 122.6847 53.9634 48.0651 175.5529 30 C 5.0055 8.8459 117.5671 55.6582 42.0543 173.3470 31 F 5.3945 9.0688 126.9876 57.5578 40.9668 174.9021 32 V 5.2555 7.6874 117.2401 60.1250 36.4132 173.7801 33 S 5.7038 8.0375 117.9637 56.0935 66.8520 172.0994 34 V 4.4986 7.8600 111.1432 60.5489 36.0369 175.5078 35 T 4.2440 8.2254 120.7049 63.6298 67.9903 176.0099 *39 D 4.3954 8.4003 123.4121 55.0097 41.4870 177.3684 40 K 4.3873 8.0596 129.3122 56.0913 32.9306 176.6255 41 V 4.3353 7.9967 120.5771 63.0196 34.2921 173.6339 42 I 4.6686 8.3863 120.1216 60.0261 40.7836 173.0736 43 H 4.8368 7.8382 114.3451 54.9743 31.1601 172.3641 44 N 5.1509 8.5940 116.6659 52.0211 42.1795 173.1662 45 S 5.9989 8.7737 120.3665 56.5889 66.7058 172.6345 46 M 4.5255 8.3876 117.9348 55.5175 33.9636 173.8161 47 C 5.2028 8.8148 116.1635 55.8491 37.0636 174.2447 48 I 4.5511 8.0308 120.2483 59.5414 40.6010 175.2043 49 A 4.2908 8.6783 130.3271 52.1374 18.5394 177.5473 50 E 4.1496 8.3899 119.5284 57.8418 30.0161 178.8690 51 I 3.5951 7.5912 117.6928 64.0107 38.3218 176.2629 52 D 4.5135 7.6101 118.5115 56.1338 41.0088 177.6792 53 L 4.2251 7.0543 119.6689 54.0112 39.4274 174.5948 54 I 4.4986 7.4119 121.6165 58.4309 40.0173 173.8454 55 P 4.8411 0.0000 0.0000 61.7634 32.6460 177.0574 56 R 3.9212 8.6186 120.0633 59.8500 30.1080 177.6235 57 D 4.5175 8.0186 115.7827 57.6205 40.9272 177.3719 58 R 4.5799 7.4455 115.3947 54.2866 32.1458 170.7603 59 P 4.4503 0.0000 0.0000 62.1583 32.0658 178.4511 60 F 4.3255 8.6361 117.8014 59.6506 37.9527 177.9119 61 V 3.6061 6.7298 113.5085 63.4186 31.3779 177.2342 62 C 4.7730 7.9169 114.7663 56.7791 41.1894 174.0275 63 A 4.2316 7.4390 120.7317 50.7046 19.4253 174.9572 *72 T 4.4751 8.0627 115.8100 64.7259 69.4077 173.9196 73 T 4.6528 8.0438 122.2460 62.1795 72.6413 173.1150 74 T 4.9163 7.4920 115.7586 61.5015 70.2775 172.2469 75 Y 4.8038 9.0237 125.8522 55.7468 42.3163 174.5468 76 C 6.0655 8.5847 117.3364 54.4340 36.5519 172.9589 77 C 4.1846 8.2511 114.1408 55.5846 42.7008 174.5394 78 N 5.2371 8.2389 116.7822 51.7166 38.9650 173.1151 79 Q 4.2372 7.4354 124.6323 55.4621 32.7078 174.2829 80 D 5.6894 8.5081 123.2981 54.5130 43.8856 175.6343 81 H 4.0982 8.6287 120.7366 57.3155 26.9126 174.5527 82 C 4.6986 7.8904 110.8535 54.6833 41.2517 174.7488 83 N 4.7310 7.3872 116.0614 51.7831 39.7967 176.0903 84 K 4.1385 8.0250 124.7350 56.1302 33.0113 177.4520 85 I 4.0060 7.7384 112.7165 61.8923 37.4964 174.6029 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 4.31 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 7.53 4.16 0.00 1.66 1.76 0.97 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.98 4.60 0.00 2.15 2.14 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 2.30 2.29 0.00 12 C 9.10 5.15 0.00 2.86 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 13 F 8.67 4.93 0.00 3.06 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 14 C 7.91 4.85 0.00 2.94 2.87 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 0.00 0.00 0.00 15 H 8.82 4.79 0.00 3.30 3.57 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 7.63 4.08 0.00 1.59 1.59 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 C 7.51 4.41 0.00 2.71 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 6.64 2.75 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 1.11 0.00 0.00 19 K 7.49 4.39 0.00 1.65 1.76 0.00 1.55 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.49 7.81 20 D 7.78 4.68 0.00 2.73 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 9.31 4.52 0.00 3.00 2.98 0.00 0.00 6.41 7.43 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 22 F 7.81 3.53 0.00 3.12 2.77 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 0.00 0.00 0.00 23 T 7.21 5.19 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 1.38 0.00 0.00 24 C 8.09 4.94 0.00 2.96 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 25 V 8.54 4.79 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 0.82 0.00 0.00 0.93 0.00 0.00 26 T 8.32 4.96 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 1.21 0.00 0.00 27 D 8.84 4.52 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 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.90 4.81 0.00 1.61 1.90 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.85 5.01 0.00 2.95 3.08 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 31 F 9.07 5.39 0.00 3.17 2.96 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 0.00 0.00 0.00 32 V 7.69 5.26 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.94 0.00 0.00 33 S 8.04 5.70 0.00 3.89 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.50 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 0.82 0.00 0.00 1.00 0.00 0.00 35 T 8.23 4.24 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 1.23 0.00 0.00 *39 D 8.40 4.40 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.39 0.00 1.79 1.71 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.43 7.81 41 V 8.00 4.34 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 0.75 0.00 0.00 0.94 0.00 0.00 42 I 8.39 4.67 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 1.36 0.79 0.90 0.00 0.00 43 H 7.84 4.84 0.00 3.26 3.25 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.59 5.15 0.00 3.05 2.81 0.00 0.00 7.37 7.23 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 45 S 8.77 6.00 0.00 4.14 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 0.00 46 M 8.39 4.53 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.88 0.00 47 C 8.81 5.20 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 8.03 4.55 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.13 0.83 0.00 0.00 49 A 8.68 4.29 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 50 E 8.39 4.15 0.00 2.34 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 2.30 2.24 0.00 51 I 7.59 3.60 1.86 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 1.41 0.80 0.90 0.00 0.00 52 D 7.61 4.51 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.05 4.23 0.00 1.60 1.59 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.41 4.50 2.01 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 1.53 1.54 1.00 0.00 0.00 55 P 0.00 4.84 0.00 2.25 2.21 0.00 3.97 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.01 0.00 56 R 8.62 3.92 0.00 1.79 2.00 0.00 3.43 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 57 D 8.02 4.52 0.00 2.69 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 4.58 0.00 1.69 1.80 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 1.54 1.54 0.00 59 P 0.00 4.45 0.00 2.08 2.08 0.00 3.75 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 60 F 8.64 4.33 0.00 3.29 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 61 V 6.73 3.61 1.71 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 0.09 0.00 0.00 0.51 0.00 0.00 62 C 7.92 4.77 0.00 2.95 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 7.44 4.23 1.24 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 0.00 0.00 *72 T 8.06 4.48 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 1.28 0.00 0.00 73 T 8.04 4.65 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 0.94 0.00 0.00 74 T 7.49 4.92 4.29 0.00 0.00 0.00 0.00 0.00 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 75 Y 9.02 4.80 0.00 2.83 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 76 C 8.58 6.07 0.00 2.86 3.07 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 0.00 0.00 0.00 0.00 77 C 8.25 4.18 0.00 3.00 3.27 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 0.00 78 N 8.24 5.24 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 7.44 4.24 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.95 6.45 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 80 D 8.51 5.69 0.00 2.66 2.68 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 81 H 8.63 4.10 0.00 3.21 3.39 0.00 5.87 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 7.89 4.70 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 7.39 4.73 0.00 2.33 2.67 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 8.02 4.14 0.00 1.44 1.58 0.00 1.01 0.00 0.00 1.41 0.00 0.00 2.79 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.22 1.13 7.81 85 I 7.74 4.01 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 0.48 0.81 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.