NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 K 4.2819 8.3144 119.9971 57.0195 34.3793 174.3224 11 N 4.8198 8.2047 112.8433 52.3026 38.7084 169.3175 12 V 4.0411 7.5395 112.1557 60.6094 34.3368 176.3078 13 T 4.1734 8.2108 116.9131 62.5473 68.6038 172.7673 14 L 4.9557 8.7840 125.9516 53.2290 46.5498 175.5835 15 T 4.9917 8.3564 115.9583 62.0976 71.6353 173.4887 16 I 4.5295 9.0026 127.9572 59.3970 40.0886 174.8950 17 R 5.1300 8.6351 125.0403 54.3248 32.7582 175.0348 18 L 4.8309 9.0571 123.5710 52.8668 44.7200 175.6166 19 L 5.0569 8.3310 124.5856 53.4520 43.9569 175.3833 *21 H 4.8417 8.5459 119.6345 55.3335 30.2696 174.6469 22 G 3.7979 8.9383 110.3529 48.1311 0.0000 176.3226 23 K 4.0552 8.0312 120.6304 59.7272 32.6615 179.0102 24 E 3.9574 8.1372 119.3331 59.1816 29.3919 179.2990 25 V 3.7009 7.9744 118.5206 65.7424 31.4824 178.0884 26 G 3.7222 8.1701 105.6181 48.0882 0.0000 175.5591 27 S 4.0917 7.6562 114.2472 61.0248 62.4800 175.9411 28 I 3.8465 7.5817 121.6042 64.3432 37.2549 178.3111 29 I 3.8565 8.1011 121.0706 63.3066 37.2202 177.7811 30 G 4.3354 7.9990 104.8971 44.4795 0.0000 172.7770 31 K 4.1183 8.3485 117.8677 57.8984 32.2857 177.6147 32 K 3.9677 9.6899 120.9697 57.1073 29.9488 175.6361 33 G 3.9614 8.3044 105.2815 46.7196 0.0000 176.4107 34 E 4.0095 8.3381 121.6766 58.8896 29.2048 179.0108 35 S 4.0574 7.8951 113.3123 61.2968 62.7646 176.0488 36 V 3.7528 7.4430 120.0605 64.4128 31.3822 177.7487 37 K 4.0778 8.1074 120.3858 59.2788 31.9615 179.9008 38 K 4.1503 7.6695 115.5849 57.0783 31.4238 179.0201 *40 R 4.2854 7.9793 120.5445 56.4108 31.8911 177.7587 41 E 3.8226 8.3096 115.7393 58.1703 29.8007 177.4516 42 E 4.4387 8.0183 117.4820 57.3263 30.7808 177.3763 43 S 4.2553 8.0698 112.9555 58.6507 63.7757 175.8963 44 G 3.9526 7.7067 107.0080 45.4161 0.0000 172.8794 45 A 4.6749 7.6048 120.9902 50.4779 20.7110 177.5064 46 R 4.1600 8.7628 121.7470 56.0960 31.3960 175.3150 47 I 5.0944 8.3975 126.6753 59.5242 40.1125 174.2211 48 N 5.0754 9.0821 125.6964 51.6936 41.9052 172.9515 49 I 5.0718 8.1867 125.8243 59.0291 39.7673 175.6428 50 S 4.3126 8.8055 122.3361 58.4013 63.5183 174.3413 51 E 4.0153 8.6157 121.6530 57.6201 29.9871 177.4945 52 G 3.9389 8.7775 109.7706 46.1419 0.0000 173.9731 53 N 4.6033 8.2838 121.7319 52.4552 37.2462 173.6909 54 C 4.8154 7.6213 118.8296 56.5558 31.2827 172.3448 55 P 4.4247 0.0000 0.0000 65.1698 31.1537 176.4274 56 E 5.0822 7.9251 115.2605 54.5438 32.5369 175.6920 57 R 4.8057 8.4832 120.5876 54.5367 35.3648 173.7708 58 I 4.8903 8.6383 121.4824 59.7149 40.1841 174.6752 59 I 4.8296 8.7687 127.9915 59.9158 39.6644 174.5783 60 T 5.0402 9.0817 124.2438 61.7903 71.0522 173.3959 61 L 5.3257 9.1431 126.0778 52.8856 44.8159 175.4250 62 A 5.0490 9.7982 124.5946 49.0661 22.7518 176.5187 63 G 4.2229 8.0010 109.5019 43.6837 0.0000 169.9761 64 P 4.7989 0.0000 0.0000 62.0538 33.5104 176.8958 65 T 3.4623 8.3527 108.8078 64.9774 68.1759 175.6308 66 N 4.4198 8.2473 119.0788 55.8862 37.1083 176.8786 67 A 4.4237 7.7888 123.9857 54.1617 18.5329 179.4823 68 I 3.6334 7.6954 118.3108 64.5449 37.0813 178.6472 69 F 4.6348 8.4194 118.9406 60.5942 38.5329 177.6969 70 K 4.0037 8.0592 117.7690 59.4313 32.1198 178.3710 71 A 4.1710 8.0061 119.8726 55.1889 18.5556 179.0182 72 F 4.2567 8.7532 119.3239 61.2589 39.3477 177.6111 73 A 4.1286 8.2906 117.4877 53.0783 18.2591 179.0824 *75 I 3.9401 7.6595 121.9847 62.9334 39.3922 178.1323 76 I 3.4919 7.5163 120.9816 64.6159 36.9486 178.1224 77 D 4.4764 8.2181 119.7666 57.3335 40.3830 178.9292 78 K 3.9378 7.8316 118.6404 59.5330 32.3900 178.5131 79 L 4.1329 7.6715 117.9573 57.3660 41.5585 178.9206 80 E 4.1113 8.0569 118.3673 58.9293 29.5020 176.9340 81 E 4.2184 7.7918 122.5407 56.4640 29.8725 176.1106 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 10 K 8.31 4.28 0.00 1.87 1.93 0.00 1.48 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.42 7.81 11 N 8.20 4.82 0.00 2.70 2.72 0.00 0.00 6.88 6.83 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 12 V 7.54 4.04 2.06 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 0.72 0.00 0.00 0.90 0.00 0.00 13 T 8.21 4.17 4.22 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 1.19 0.00 0.00 14 L 8.78 4.96 0.00 1.48 1.42 0.79 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.36 4.99 4.22 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 1.20 0.00 0.00 16 I 9.00 4.53 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.80 0.87 0.00 0.00 17 R 8.64 5.13 0.00 1.65 1.81 0.00 3.15 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 18 L 9.06 4.83 0.00 1.53 1.58 1.08 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.33 5.06 0.00 1.62 1.54 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 *21 H 8.55 4.84 0.00 3.27 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.94 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 0.00 0.00 0.00 23 K 8.03 4.06 0.00 1.99 2.08 0.00 1.50 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.53 7.81 24 E 8.14 3.96 0.00 2.22 2.04 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 2.41 2.40 0.00 25 V 7.97 3.70 2.20 0.00 0.00 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 0.99 0.00 0.00 26 G 8.17 3.72 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 0.00 0.00 0.00 27 S 7.66 4.09 0.00 3.83 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 0.00 28 I 7.58 3.85 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.73 0.90 0.00 0.00 29 I 8.10 3.86 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 1.46 1.10 0.91 0.00 0.00 30 G 8.00 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 0.00 0.00 0.00 0.00 31 K 8.35 4.12 0.00 1.83 1.76 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.47 7.81 32 K 9.69 3.97 0.00 1.86 1.87 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.47 7.81 33 G 8.30 3.96 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 0.00 0.00 0.00 34 E 8.34 4.01 0.00 2.20 2.22 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 2.45 2.31 0.00 35 S 7.90 4.06 0.00 3.88 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 36 V 7.44 3.75 2.19 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 0.86 0.00 0.00 0.93 0.00 0.00 37 K 8.11 4.08 0.00 1.94 2.06 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.49 7.81 38 K 7.67 4.15 0.00 2.06 1.81 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.64 7.81 *40 R 7.98 4.29 0.00 2.05 2.02 0.00 3.12 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 41 E 8.31 3.82 0.00 2.02 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 2.34 2.45 0.00 42 E 8.02 4.44 0.00 2.04 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 2.27 2.36 0.00 43 S 8.07 4.26 0.00 4.10 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 44 G 7.71 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 0.00 0.00 0.00 45 A 7.60 4.67 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 46 R 8.76 4.16 0.00 1.90 1.81 0.00 3.03 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 47 I 8.40 5.09 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.98 0.92 0.00 0.00 48 N 9.08 5.08 0.00 2.82 2.62 0.00 0.00 6.54 7.60 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 49 I 8.19 5.07 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 1.41 0.80 0.91 0.00 0.00 50 S 8.81 4.31 0.00 3.86 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 51 E 8.62 4.02 0.00 1.98 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 2.31 2.25 0.00 52 G 8.78 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 53 N 8.28 4.60 0.00 2.70 2.76 0.00 0.00 6.97 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 54 C 7.62 4.82 0.00 3.14 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 55 P 0.00 4.42 0.00 2.19 2.12 0.00 3.54 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 2.12 2.13 0.00 56 E 7.93 5.08 0.00 1.79 1.79 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 2.21 2.25 0.00 57 R 8.48 4.81 0.00 1.67 1.76 0.00 3.24 0.00 0.00 3.56 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 58 I 8.64 4.89 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 1.23 0.75 0.91 0.00 0.00 59 I 8.77 4.83 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.93 0.00 0.00 60 T 9.08 5.04 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 61 L 9.14 5.33 0.00 1.52 1.55 1.06 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 62 A 9.80 5.05 1.18 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 0.00 0.00 63 G 8.00 4.22 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 0.00 64 P 0.00 4.80 0.00 2.25 2.18 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 65 T 8.35 3.46 3.87 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 1.07 0.00 0.00 66 N 8.25 4.42 0.00 3.08 3.20 0.00 0.00 6.13 7.77 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 67 A 7.79 4.42 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 68 I 7.70 3.63 1.61 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 1.69 0.79 0.75 0.00 0.00 69 F 8.42 4.63 0.00 3.27 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 4.00 0.00 1.83 2.04 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.54 7.81 71 A 8.01 4.17 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 72 F 8.75 4.26 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 73 A 8.29 4.13 1.46 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 0.00 0.00 *75 I 7.66 3.94 1.78 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 1.38 0.94 0.78 0.00 0.00 76 I 7.52 3.49 1.79 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.60 0.83 0.00 0.00 77 D 8.22 4.48 0.00 2.70 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 78 K 7.83 3.94 0.00 1.69 1.98 0.00 1.65 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.57 7.81 79 L 7.67 4.13 0.00 1.76 1.68 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.06 4.11 0.00 2.11 1.99 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 2.32 2.45 0.00 81 E 7.79 4.22 0.00 2.07 2.05 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 2.31 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.