NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9322 8.3549 109.7369 45.2202 0.0000 174.9305 3 K 3.9708 8.6656 117.0646 54.8390 33.9681 171.1980 4 V 4.5000 8.6136 121.9013 61.4208 35.5995 173.5188 5 Y 5.0008 8.8629 124.2498 56.0957 41.0491 174.7014 6 K 4.5016 8.2053 122.4824 54.5003 35.2760 174.7683 7 K 5.0278 8.4815 125.1445 54.6278 34.5026 175.7038 8 V 4.4438 8.5739 123.5226 61.0482 34.9818 173.7057 9 E 4.9181 8.9023 128.6981 55.1587 30.2803 174.8091 10 L 4.8575 8.9637 127.1425 52.8532 45.7915 176.0668 11 V 4.5990 8.2901 120.3305 61.1740 33.4849 174.9117 12 G 4.4637 8.9635 116.6330 45.0754 0.0000 171.6325 13 T 5.3375 8.2109 113.9635 60.2081 71.9942 173.1515 14 S 4.6766 8.8310 115.6016 57.8949 65.9113 175.2970 15 E 4.6590 9.0440 124.4644 57.7545 30.1218 177.6802 16 E 4.1915 8.3189 118.6022 57.7239 30.2885 176.3478 17 G 3.4110 7.1531 104.6860 44.0360 0.0000 173.7387 18 L 3.7802 7.3439 118.1780 57.8047 41.4417 179.3933 19 E 3.8899 8.0628 117.7751 59.5479 29.4460 179.2587 20 A 3.9187 7.8989 119.8748 54.8494 18.5537 179.4739 21 A 3.9223 7.7550 119.0597 55.3629 18.5183 179.8608 22 I 3.5113 7.6233 118.3379 64.7288 37.0865 178.7774 23 Q 3.9045 8.2845 118.7475 58.6094 28.5273 178.7083 24 A 3.9069 8.0559 121.7202 55.0430 18.4367 179.4936 25 A 3.8879 7.8215 118.7152 55.4564 18.5740 179.7867 26 L 3.8723 7.8118 117.1765 57.6392 41.3939 179.5927 27 A 3.9833 8.0111 120.5389 54.9490 18.0385 179.3715 28 R 3.9326 7.9124 116.7139 59.2885 30.1437 178.4725 29 A 3.8923 8.0400 120.7070 55.2435 16.8235 179.6495 30 R 3.9246 8.0417 116.8285 59.1886 29.8269 178.8328 31 K 4.2659 7.5850 116.9620 58.8193 32.0091 177.7921 32 T 4.4154 7.2401 112.6337 63.2704 71.0177 174.1248 33 L 4.4772 7.9563 120.2706 52.7404 43.6432 175.9314 34 R 4.5000 7.9272 120.0747 55.5317 33.0601 174.9510 35 H 4.1735 8.4516 113.4382 56.8221 26.1127 175.2692 36 L 4.5668 8.1210 118.7795 55.4362 42.1883 175.6992 37 D 5.2127 9.3036 122.5306 55.1986 43.0615 176.2448 38 W 5.5633 7.9097 113.3965 54.9598 32.0779 172.9619 39 F 5.4491 8.4804 114.2570 55.3331 41.2387 173.9855 40 E 4.6637 9.2846 118.6130 54.8021 33.4977 174.9108 41 V 4.2790 8.6926 125.5368 62.9087 31.6673 175.5356 42 K 4.4976 9.2575 128.7139 58.5729 33.0612 176.8491 43 E 4.7961 7.8344 114.9715 55.4168 32.8631 174.1425 44 I 4.8659 8.3765 121.3705 59.9981 39.6678 174.9199 45 R 4.7466 9.4264 126.4207 55.1623 34.7197 174.1183 46 G 4.3771 7.7785 106.5257 47.3138 0.0000 171.9395 47 T 4.8130 7.7893 109.6603 59.8310 71.9921 173.3590 48 I 4.7525 8.2573 122.4880 59.7981 39.8581 175.4274 49 G 4.3342 8.7726 116.4854 43.9806 0.0000 172.6007 50 E 3.8466 8.9283 118.5493 58.4511 29.8057 178.2424 51 A 4.6920 8.0570 119.9554 51.7632 20.6212 176.5305 52 G 4.0104 7.4447 108.2048 45.2597 0.0000 176.5545 53 V 3.7970 8.2261 124.2078 63.0608 31.8119 174.4210 54 K 4.3532 8.5931 127.7212 57.5223 33.8261 176.0030 55 E 4.7095 7.5502 120.1710 54.6335 33.0117 173.6973 56 Y 4.5752 9.3079 125.6205 57.9225 39.7387 174.9435 57 Q 4.7997 9.2949 121.9987 54.3621 32.5307 174.4719 58 V 4.5334 8.6669 126.1403 61.2277 33.0347 175.0291 59 V 4.3519 8.6444 129.7392 62.5856 32.7778 174.6416 60 L 5.2074 9.0713 129.1157 53.5997 46.0286 174.2233 61 E 5.0653 9.5432 125.7027 54.6800 32.1163 174.8764 62 V 4.4905 8.8421 125.0081 60.9761 34.1446 174.2260 63 G 3.2695 8.1760 116.0379 43.9600 0.0000 172.3148 64 F 5.6469 8.3482 118.9135 54.8890 41.9391 173.7542 65 R 4.0804 8.9655 121.9110 56.0586 30.4871 176.0719 66 L 4.3545 8.2606 127.1382 54.6065 42.4398 177.1883 67 E 4.1452 8.7718 122.8407 56.1907 30.6332 174.8305 68 E 3.4072 8.4341 125.1311 57.3426 26.8178 174.6837 *69 T 4.1630 7.9825 113.9012 60.4393 69.2274 173.7738 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 G 8.35 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 3 K 8.67 3.97 0.00 1.81 1.41 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.50 7.81 4 V 8.61 4.50 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 1.08 0.00 0.00 0.91 0.00 0.00 5 Y 8.86 5.00 0.00 3.00 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 6 K 8.21 4.50 0.00 1.45 0.74 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.16 1.27 7.81 7 K 8.48 5.03 0.00 1.64 1.65 0.00 2.06 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.13 1.35 7.81 8 V 8.57 4.44 2.27 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 1.06 0.00 0.00 1.09 0.00 0.00 9 E 8.90 4.92 0.00 2.03 1.86 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 2.24 2.46 0.00 10 L 8.96 4.86 0.00 1.56 1.49 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.29 4.60 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 0.80 0.00 0.00 0.94 0.00 0.00 12 G 8.96 4.46 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 0.00 13 T 8.21 5.34 4.36 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 1.22 0.00 0.00 14 S 8.83 4.68 0.00 3.90 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 E 9.04 4.66 0.00 2.03 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 2.41 2.34 0.00 16 E 8.32 4.19 0.00 1.98 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 2.34 2.40 0.00 17 G 7.15 3.41 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 0.00 18 L 7.34 3.78 0.00 1.54 1.63 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.06 3.89 0.00 1.99 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 2.39 2.43 0.00 20 A 7.90 3.92 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 21 A 7.76 3.92 1.51 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 22 I 7.62 3.51 1.87 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 1.42 0.75 0.39 0.00 0.00 23 Q 8.28 3.90 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 24 A 8.06 3.91 1.38 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 0.00 0.00 0.00 25 A 7.82 3.89 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 26 L 7.81 3.87 0.00 1.61 1.63 0.57 0.63 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 27 A 8.01 3.98 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 28 R 7.91 3.93 0.00 1.92 2.04 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 1.59 1.64 0.00 29 A 8.04 3.89 1.27 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 0.00 0.00 30 R 8.04 3.92 0.00 1.86 2.03 0.00 3.08 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 31 K 7.59 4.27 0.00 1.93 1.82 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.65 7.81 32 T 7.24 4.42 4.16 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 1.10 0.00 0.00 33 L 7.96 4.48 0.00 1.27 0.79 0.38 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.93 4.50 0.00 1.66 1.46 0.00 3.28 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 35 H 8.45 4.17 0.00 3.65 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.12 4.57 0.00 1.67 1.66 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.30 5.21 0.00 3.11 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 38 W 7.91 5.56 0.00 3.26 3.18 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 39 F 8.48 5.45 0.00 3.02 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 40 E 9.28 4.66 0.00 1.97 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 2.43 2.50 0.00 41 V 8.69 4.28 2.18 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 0.84 0.00 0.00 1.14 0.00 0.00 42 K 9.26 4.50 0.00 1.78 1.87 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.56 7.81 43 E 7.83 4.80 0.00 2.02 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 2.29 2.35 0.00 44 I 8.38 4.87 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 1.00 0.00 0.00 45 R 9.43 4.75 0.00 1.70 1.82 0.00 3.41 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 46 G 7.78 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 0.00 0.00 0.00 0.00 47 T 7.79 4.81 4.20 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 0.00 0.00 0.00 1.18 0.00 0.00 48 I 8.26 4.75 1.84 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 1.22 0.64 0.93 0.00 0.00 49 G 8.77 4.33 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 0.00 50 E 8.93 3.85 0.00 1.91 1.98 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 2.28 2.36 0.00 51 A 8.06 4.69 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 52 G 7.44 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 0.00 0.00 0.00 53 V 8.23 3.80 1.83 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 -0.28 0.00 0.00 0.75 0.00 0.00 54 K 8.59 4.35 0.00 1.81 1.81 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.32 7.81 55 E 7.55 4.71 0.00 2.13 1.67 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 2.19 2.29 0.00 56 Y 9.31 4.58 0.00 3.09 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 57 Q 9.29 4.80 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 58 V 8.67 4.53 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 0.94 0.00 0.00 0.96 0.00 0.00 59 V 8.64 4.35 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 0.85 0.00 0.00 0.95 0.00 0.00 60 L 9.07 5.21 0.00 1.90 1.52 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.54 5.07 0.00 1.94 1.83 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 2.25 2.24 0.00 62 V 8.84 4.49 2.07 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 0.95 0.00 0.00 0.90 0.00 0.00 63 G 8.18 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 0.00 0.00 0.00 64 F 8.35 5.65 0.00 3.37 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 65 R 8.97 4.08 0.00 1.97 1.89 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.76 0.00 66 L 8.26 4.35 0.00 1.60 1.55 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.77 4.15 0.00 2.00 1.93 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 2.37 2.41 0.00 68 E 8.43 3.41 0.00 2.10 1.98 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 2.18 2.29 0.00 *69 T 7.98 4.16 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 * Residues marked with a * may have inaccurate shift predictions.