NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.3545 8.3027 118.8055 56.3561 32.1772 177.6190 10 Y 3.9950 8.1549 120.7671 60.4559 38.7095 176.2501 11 Q 3.7189 8.2185 118.7082 58.8626 29.2816 177.7464 12 N 4.4999 8.1086 117.6201 56.7548 39.1349 176.4463 13 E 3.9669 8.2115 120.8281 58.8637 29.6534 178.6750 14 K 3.8067 8.2533 120.2264 59.3465 32.2440 178.5703 15 L 3.9843 8.0964 120.6070 58.0259 41.9883 178.6498 16 A 3.9626 7.9593 120.7031 55.3527 18.3227 179.3856 17 N 4.2984 8.1951 114.8597 56.3941 38.5958 177.5598 18 E 3.9111 8.3265 120.0611 59.4443 29.6429 179.2263 19 L 3.9377 8.3056 120.7514 57.8668 42.1767 178.8462 20 K 3.9446 8.1965 119.7398 59.6270 31.9023 179.0183 21 S 4.1720 7.8520 114.4164 61.5027 63.1430 176.3439 22 L 4.3180 8.0081 121.7413 57.9429 41.4071 179.6351 23 L 4.1821 8.1454 118.6439 57.5966 41.2790 179.1228 24 D 4.5635 7.9616 118.0938 55.9453 40.9073 177.3374 25 E 4.5627 7.7904 116.7359 55.8803 29.8292 177.4741 26 L 4.1188 7.6721 124.7026 58.3726 42.2246 178.7620 27 N 4.3410 8.1239 116.1518 56.3009 38.5224 177.6714 28 V 3.6215 7.6283 120.0871 64.8809 31.4951 178.1036 29 N 4.2048 7.9987 117.2047 55.7796 38.0657 177.0382 30 E 3.9469 8.2869 120.4172 59.2770 30.1618 178.5575 31 L 4.0947 8.0510 118.8359 57.7281 41.5176 179.3581 32 A 4.0333 7.9413 120.9919 55.0491 18.1395 179.2956 33 T 4.0669 7.7914 107.7541 63.6511 68.6421 176.7446 34 G 3.7932 7.8178 108.4800 47.2493 0.0000 174.7537 35 S 4.6070 7.5403 113.9090 57.6807 63.7496 173.3463 36 L 4.6871 7.3196 122.2207 52.2364 44.5474 175.3040 37 N 4.3975 8.8405 117.4663 54.6365 39.1841 175.5625 38 T 4.0798 8.6747 114.8974 64.1684 68.6550 175.5828 39 Y 4.0044 8.7317 123.8270 61.3316 38.5750 177.9105 40 Y 3.9414 8.2451 117.2704 60.7029 37.9962 178.2052 41 K 3.9913 8.0709 121.4541 58.9991 32.4991 178.6359 42 R 3.8396 7.8519 118.8615 59.7684 29.9275 178.6584 43 T 3.6949 7.6934 115.6311 66.4808 68.3737 176.7162 44 I 3.7216 8.0285 120.9022 63.7698 37.8889 178.1319 45 K 3.9611 7.8967 119.0759 59.4253 31.9018 179.3038 46 I 3.6812 7.5168 119.4148 64.6696 37.0651 178.8016 47 S 4.2314 8.3356 116.2402 61.3638 62.3779 177.0202 48 G 3.6285 8.3463 107.9772 47.8835 0.0000 175.4664 49 Q 4.2359 8.1035 119.6835 58.7243 29.0959 178.7837 50 K 4.2631 8.1860 119.2762 59.2030 32.0411 179.7664 51 A 4.2004 8.0316 118.9234 52.7962 18.1708 178.8490 *53 Y 4.3736 7.9084 120.1459 59.6297 40.3488 177.5901 54 A 4.0272 8.2830 121.3737 55.2411 18.2001 179.4591 55 L 3.9221 7.8119 117.7559 57.9941 42.2383 178.8812 56 K 4.1817 7.9354 117.1935 59.1017 32.9749 178.7814 57 S 4.2440 8.0439 115.3277 59.1564 63.0534 174.9395 58 K 3.8253 7.6496 118.3815 56.8142 30.1664 174.3494 59 D 4.6136 7.9063 119.1993 53.2981 41.7848 175.7229 60 F 4.1612 9.2207 129.3670 61.4630 39.7876 176.3585 61 K 4.2086 8.4107 119.2922 59.6482 32.1984 179.9008 62 K 3.8517 8.3789 115.0770 57.2700 31.5858 178.8102 *64 S 4.0530 8.2084 114.8239 58.2658 64.0152 175.4181 65 E 3.9651 8.0676 120.1639 59.2918 29.1847 178.6550 66 A 3.9685 8.1378 120.8495 54.7960 18.3274 179.5066 67 K 3.7337 7.8923 117.7281 59.6922 32.3814 178.0828 68 Y 4.0604 8.0011 119.6690 61.0542 38.8067 178.3062 69 Q 3.7028 8.2421 118.8768 58.6493 28.7745 178.5235 70 L 3.6659 7.9695 121.6596 57.9054 42.0186 178.6894 71 Q 3.7420 8.0652 119.9487 58.7561 28.9253 177.9811 72 K 3.6994 7.7123 120.6375 59.7522 32.1427 178.6289 73 I 3.8283 7.5104 118.1383 64.1244 37.7312 177.3766 74 Y 4.3252 8.1957 117.8150 61.2760 37.7425 178.3849 75 N 4.4146 8.6492 117.6815 56.4640 38.6765 177.3652 76 E 4.1186 8.4507 119.9234 59.4137 29.5933 179.4667 77 I 3.4805 8.3243 120.2514 64.4688 36.9795 178.1284 78 D 4.3424 8.0080 118.3512 57.4892 40.8214 178.5179 79 E 4.0898 8.3222 118.7342 59.4244 29.2690 179.3462 80 A 3.9499 7.8541 119.6069 54.8279 18.4235 179.1722 81 L 4.0787 7.6879 116.0919 56.5220 41.8803 177.2940 82 K 4.1239 7.5359 123.1122 56.6490 31.9487 176.5738 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 E 8.30 4.35 0.00 2.20 2.31 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 2.32 2.38 0.00 10 Y 8.15 4.00 0.00 3.07 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 11 Q 8.22 3.72 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 12 N 8.11 4.50 0.00 2.84 2.86 0.00 0.00 6.83 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 13 E 8.21 3.97 0.00 2.24 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 0.00 2.33 2.33 0.00 14 K 8.25 3.81 0.00 1.24 1.59 0.00 1.33 0.00 0.00 1.36 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.33 7.81 15 L 8.10 3.98 0.00 1.80 1.75 0.73 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.96 3.96 1.37 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 0.00 0.00 17 N 8.20 4.30 0.00 2.92 2.88 0.00 0.00 7.07 7.06 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 18 E 8.33 3.91 0.00 2.13 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 2.32 2.41 0.00 19 L 8.31 3.94 0.00 1.74 1.62 0.85 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.20 3.94 0.00 1.97 2.03 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.53 7.81 21 S 7.85 4.17 0.00 4.10 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 22 L 8.01 4.32 0.00 1.87 1.69 0.76 0.76 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 23 L 8.15 4.18 0.00 1.87 1.74 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.96 4.56 0.00 2.92 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 25 E 7.79 4.56 0.00 2.05 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 0.00 2.47 2.32 0.00 26 L 7.67 4.12 0.00 1.96 1.88 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.12 4.34 0.00 2.76 2.84 0.00 0.00 6.82 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 V 7.63 3.62 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 0.80 0.00 0.00 0.87 0.00 0.00 29 N 8.00 4.20 0.00 2.65 2.63 0.00 0.00 6.64 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 30 E 8.29 3.95 0.00 2.05 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 0.00 2.32 2.36 0.00 31 L 8.05 4.09 0.00 1.89 1.68 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.94 4.03 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 33 T 7.79 4.07 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 34 G 7.82 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.54 4.61 0.00 3.97 3.95 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 36 L 7.32 4.69 0.00 1.73 1.52 0.29 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.84 4.40 0.00 2.90 3.03 0.00 0.00 6.63 7.22 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 38 T 8.67 4.08 4.28 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 1.25 0.00 0.00 39 Y 8.73 4.00 0.00 3.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.25 3.94 0.00 3.09 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 41 K 8.07 3.99 0.00 1.90 2.00 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.42 7.81 42 R 7.85 3.84 0.00 1.88 1.90 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 43 T 7.69 3.69 3.76 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 1.03 0.00 0.00 44 I 8.03 3.72 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.03 1.04 0.00 0.00 45 K 7.90 3.96 0.00 1.99 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.67 7.81 46 I 7.52 3.68 1.95 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 1.50 0.64 0.88 0.00 0.00 47 S 8.34 4.23 0.00 3.82 3.83 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 48 G 8.35 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 0.00 0.00 0.00 49 Q 8.10 4.24 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 50 K 8.19 4.26 0.00 1.83 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 51 A 8.03 4.20 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 *53 Y 7.91 4.37 0.00 3.26 3.02 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 54 A 8.28 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 3.92 0.00 1.72 1.69 0.94 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.94 4.18 0.00 1.92 1.87 0.00 1.54 0.00 0.00 1.51 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.51 7.81 57 S 8.04 4.24 0.00 4.10 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 0.00 58 K 7.65 3.83 0.00 1.98 1.96 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.51 7.81 59 D 7.91 4.61 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.22 4.16 0.00 3.03 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 61 K 8.41 4.21 0.00 2.08 1.89 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.73 1.63 7.81 62 K 8.38 3.85 0.00 1.84 1.82 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.57 7.81 *64 S 8.21 4.05 0.00 3.23 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 65 E 8.07 3.97 0.00 2.21 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 0.00 2.32 2.42 0.00 66 A 8.14 3.97 1.36 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 0.00 0.00 67 K 7.89 3.73 0.00 1.75 1.92 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.43 7.81 68 Y 8.00 4.06 0.00 3.07 3.09 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 69 Q 8.24 3.70 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.60 0.00 0.00 0.00 0.00 0.00 2.68 2.56 0.00 70 L 7.97 3.67 0.00 1.67 1.32 0.79 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.07 3.74 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 72 K 7.71 3.70 0.00 1.47 1.73 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.77 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.37 1.33 7.81 73 I 7.51 3.83 1.87 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.44 1.00 0.00 0.00 74 Y 8.20 4.33 0.00 3.16 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 75 N 8.65 4.41 0.00 2.91 2.90 0.00 0.00 7.08 7.25 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 76 E 8.45 4.12 0.00 2.41 2.36 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 2.43 2.62 0.00 77 I 8.32 3.48 2.09 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.80 0.00 0.00 78 D 8.01 4.34 0.00 2.82 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 79 E 8.32 4.09 0.00 2.18 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 2.47 2.50 0.00 80 A 7.85 3.95 0.99 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 81 L 7.69 4.08 0.00 1.72 1.67 0.84 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.54 4.12 0.00 1.80 1.72 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.60 7.81 * Residues marked with a * may have inaccurate shift predictions.