NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 A 4.3040 8.2493 123.5821 51.2158 20.4167 177.2101 3 P 4.2189 0.0000 0.0000 62.9685 32.2999 173.1939 4 L 4.8914 8.4887 121.1837 53.6667 43.3848 178.1208 5 V 3.6298 8.4277 123.2681 63.3224 32.0625 175.2435 6 A 4.8063 9.6180 130.4879 50.4498 20.6800 178.0420 7 E 4.3112 8.7866 120.3958 58.9794 29.7756 178.4400 8 T 4.2512 7.8318 107.3935 62.8864 69.8441 175.4953 9 D 4.4841 7.9505 123.3186 54.3491 42.6200 176.9153 10 A 4.0633 8.7645 125.5266 55.5857 17.9867 179.9615 11 N 4.3108 8.2285 114.6857 55.8249 37.4007 177.2004 12 A 4.4222 8.2046 122.6356 55.1458 18.5793 179.4240 13 K 3.9711 8.3106 117.0443 59.9262 31.9502 179.5414 14 S 4.2551 8.0780 111.9635 60.3977 62.5631 175.1151 15 L 4.6752 7.7865 119.0120 53.2920 41.7718 176.8376 16 G 4.2565 8.0184 106.4599 46.5304 0.0000 173.7519 17 Y 4.5126 8.3846 120.8139 57.4706 39.5257 175.7284 18 V 4.2923 7.9410 118.9163 59.3448 35.3517 176.4421 19 A 3.9308 8.8312 125.4765 53.3670 18.7130 177.3269 20 D 4.6398 7.4814 115.3503 52.2885 43.6720 175.6458 21 T 3.7495 8.8989 123.3540 65.0624 67.4502 175.8400 22 T 3.9500 8.0980 110.3208 63.4046 68.8592 175.0496 23 K 4.2670 7.8283 120.6227 55.7606 32.4427 176.4565 24 A 3.8568 7.1292 122.1645 52.3094 18.6929 178.6009 25 D 4.5558 8.5018 120.0809 53.2810 40.8558 177.3188 26 K 4.2623 8.2714 126.5158 58.6052 32.3216 178.6921 27 T 3.9929 7.7810 110.1585 64.4265 68.8101 176.3855 28 K 4.0336 7.8213 119.7632 57.1378 33.8476 176.6008 29 Y 4.9388 7.5530 117.1019 55.1383 37.8512 174.2731 30 P 4.4481 0.0000 0.0000 64.7495 32.0020 178.3354 31 K 4.3280 7.9903 116.5359 56.5110 32.5940 176.3122 32 H 4.3604 8.2868 119.2239 55.8767 30.3937 174.1532 33 T 4.4508 7.1555 113.4592 59.4597 71.7467 174.7348 34 K 3.9621 8.1706 120.3906 58.1933 32.2404 178.0779 35 D 4.3781 7.4473 118.0944 55.5674 41.1075 176.1469 36 Q 3.6098 7.3064 120.2148 53.9562 29.6379 174.9827 37 S 4.9215 8.3522 116.1973 57.2711 66.4449 174.9360 38 C 4.0274 8.8542 119.3200 62.9932 27.9494 176.7762 39 S 4.0372 7.9194 113.7066 60.8666 62.3321 175.2410 40 T 4.6000 8.1565 108.4398 61.1996 69.0884 173.4956 41 C 4.0400 8.1924 123.2726 58.5087 32.2969 174.4148 42 A 4.1001 8.4977 129.5330 54.2636 18.1036 178.4177 43 L 4.3342 7.5898 114.0992 55.6705 42.5794 176.6490 44 Y 4.3600 7.6891 119.9039 58.0297 39.0322 175.5200 45 Q 4.2964 8.6935 124.9409 55.7876 29.3836 176.3595 46 G 3.5122 5.6757 106.6152 44.3757 0.0000 175.5709 47 K 3.6225 7.1354 120.6460 58.0865 31.2022 176.1782 48 T 4.3813 8.7210 117.3587 62.4327 68.7817 174.4964 49 A 4.3170 8.1524 126.7610 51.6028 19.1687 176.7901 50 P 4.5416 0.0000 0.0000 64.7689 32.4217 175.7614 51 Q 5.1227 7.5502 118.8530 54.8466 33.4060 173.9078 52 G 3.9301 8.7423 107.5044 45.8550 0.0000 172.3966 53 A 4.7498 7.8610 121.2646 51.7037 20.3565 176.1289 54 C 5.2195 8.4199 118.9341 56.9212 34.6765 173.3557 55 P 4.3948 0.0000 0.0000 65.0032 31.1539 177.0509 56 L 4.0734 7.7838 117.3839 55.5033 42.3156 176.8254 57 F 4.5271 7.8372 118.0307 54.4372 39.1111 173.2412 58 A 3.9421 8.2415 126.9034 53.1782 18.8340 178.0315 59 G 3.9443 8.9637 109.4240 45.9215 0.0000 172.6792 60 K 4.9506 7.6165 116.0910 54.4998 36.4342 175.1112 61 E 4.9257 9.1759 119.9163 54.8750 33.4526 175.9659 62 V 4.6200 8.9311 114.9834 59.7013 35.3279 174.8593 63 V 4.6282 8.3991 122.0512 61.6618 32.6665 176.6849 64 A 3.5476 9.0208 129.7195 54.8496 19.1619 179.0945 65 K 4.0546 8.2571 114.3677 57.3658 32.8679 176.6492 66 G 4.0024 7.9924 106.5781 46.7296 0.0000 172.1529 67 W 5.2568 8.4082 127.0303 56.8807 34.7571 173.0750 68 C 4.8413 7.2677 118.3897 56.2494 32.6308 174.8995 69 S 3.2071 8.4804 113.8913 60.2402 62.4520 174.9585 70 A 4.2174 7.4183 122.4144 51.5399 18.6063 176.5795 71 W 4.1082 7.3084 126.6498 58.2800 31.3618 175.2551 72 A 4.1782 7.4570 128.1095 49.2941 20.7042 174.9453 73 K 3.3012 7.6737 122.9007 57.1746 32.6297 176.9997 74 K 4.0651 8.4311 125.8244 55.8793 32.9252 176.9019 75 A 4.1403 8.3392 123.0199 52.6204 18.3074 177.6601 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 *2 A 8.25 4.30 1.25 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 3 P 0.00 4.22 0.00 2.21 2.24 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 4 L 8.49 4.89 0.00 1.57 1.65 0.95 0.93 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 5 V 8.43 3.63 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 0.04 0.00 0.00 0.46 0.00 0.00 6 A 9.62 4.81 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.79 4.31 0.00 2.03 2.10 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 2.49 2.37 0.00 8 T 7.83 4.25 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 9 D 7.95 4.48 0.00 2.88 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 10 A 8.76 4.06 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 11 N 8.23 4.31 0.00 2.80 3.02 0.00 0.00 6.11 7.46 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 12 A 8.20 4.42 1.62 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 0.00 0.00 13 K 8.31 3.97 0.00 2.08 1.96 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.79 7.81 14 S 8.08 4.26 0.00 3.92 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.79 4.68 0.00 1.85 1.62 0.73 0.86 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 G 8.02 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 0.00 0.00 0.00 0.00 17 Y 8.38 4.51 0.00 2.99 2.93 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 18 V 7.94 4.29 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 0.66 0.00 0.00 0.99 0.00 0.00 19 A 8.83 3.93 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 20 D 7.48 4.64 0.00 2.59 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.90 3.75 4.48 0.00 0.00 0.00 0.00 0.00 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 22 T 8.10 3.95 4.17 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 1.14 0.00 0.00 23 K 7.83 4.27 0.00 1.79 1.80 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.30 7.81 24 A 7.13 3.86 0.32 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 25 D 8.50 4.56 0.00 2.82 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 26 K 8.27 4.26 0.00 1.70 1.80 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.34 7.81 27 T 7.78 3.99 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 28 K 7.82 4.03 0.00 0.79 0.74 0.00 1.72 0.00 0.00 1.52 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.19 1.40 7.81 29 Y 7.55 4.94 0.00 3.12 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 30 P 0.00 4.45 0.00 2.19 2.19 0.00 3.90 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 31 K 7.99 4.33 0.00 1.90 1.97 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 32 H 8.29 4.36 0.00 2.50 3.11 0.00 5.74 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 33 T 7.16 4.45 4.04 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 1.13 0.00 0.00 34 K 8.17 3.96 0.00 1.64 1.78 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.33 7.81 35 D 7.45 4.38 0.00 2.46 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 36 Q 7.31 3.61 0.00 1.58 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.57 0.00 0.00 0.00 0.00 0.00 1.16 1.52 0.00 37 S 8.35 4.92 0.00 4.18 3.90 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 38 C 8.85 4.03 0.00 2.63 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 39 S 7.92 4.04 0.00 4.01 4.07 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 40 T 8.16 4.60 4.55 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 1.33 0.00 0.00 41 C 8.19 4.04 0.00 3.05 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 42 A 8.50 4.10 1.13 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 0.00 0.00 43 L 7.59 4.33 0.00 1.64 1.73 0.86 0.77 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 44 Y 7.69 4.36 0.00 2.89 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 45 Q 8.69 4.30 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 46 G 5.68 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.14 3.62 0.00 1.86 0.98 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.33 7.81 48 T 8.72 4.38 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 1.25 0.00 0.00 49 A 8.15 4.32 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.54 0.00 2.17 2.35 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 51 Q 7.55 5.12 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 52 G 8.74 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 0.00 0.00 0.00 53 A 7.86 4.75 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 54 C 8.42 5.22 0.00 3.15 2.93 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 55 P 0.00 4.39 0.00 2.18 2.15 0.00 3.87 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 56 L 7.78 4.07 0.00 1.37 1.24 0.82 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.84 4.53 0.00 3.08 2.84 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 58 A 8.24 3.94 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 59 G 8.96 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 60 K 7.62 4.95 0.00 1.66 1.75 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.57 7.81 61 E 9.18 4.93 0.00 1.87 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 2.22 2.25 0.00 62 V 8.93 4.62 2.16 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 0.18 0.00 0.00 1.13 0.00 0.00 63 V 8.40 4.63 2.13 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 1.12 0.00 0.00 1.00 0.00 0.00 64 A 9.02 3.55 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 65 K 8.26 4.05 0.00 1.75 1.77 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.36 7.81 66 G 7.99 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 67 W 8.41 5.26 0.00 3.26 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 68 C 7.27 4.84 0.00 3.14 3.17 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 69 S 8.48 3.21 0.00 3.65 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 70 A 7.42 4.22 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 W 7.31 4.11 0.00 2.91 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 72 A 7.46 4.18 0.98 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 0.00 0.00 73 K 7.67 3.30 0.00 1.70 1.62 0.00 1.98 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.64 7.81 74 K 8.43 4.07 0.00 1.77 1.70 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.51 7.81 75 A 8.34 4.14 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 * Residues marked with a * may have inaccurate shift predictions.