NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2511 8.3044 120.3478 55.3836 33.0505 174.8445 2 V 3.7238 8.3373 127.0685 61.5787 30.4897 173.2433 3 Q 4.4844 8.8087 128.6375 53.7617 32.0638 174.6044 4 R 4.3175 8.1964 118.2458 59.7447 29.4839 175.4780 5 G 3.7305 7.9897 115.3695 45.7127 0.0000 173.7367 6 S 4.8511 7.8222 115.9763 57.7215 63.4358 173.4932 7 K 5.0600 8.6424 126.0922 55.0151 33.8670 176.0597 8 V 4.6332 7.9756 115.8594 59.5946 36.1921 175.2925 9 R 4.5349 8.9703 121.9644 56.2395 31.5845 175.5728 10 I 4.1661 7.8283 122.3622 59.5064 38.8946 176.5895 11 L 3.9859 8.0146 128.9176 54.4798 42.3794 177.4116 12 R 4.5717 7.8277 120.8842 53.8291 30.0125 173.9558 13 P 4.6609 0.0000 0.0000 65.4213 31.5837 178.0833 14 E 4.1535 8.2572 116.5015 58.5927 29.9003 177.1539 15 S 4.3947 8.7013 115.2488 57.7262 62.9195 174.2838 16 Y 3.7117 8.3294 128.6051 59.7687 38.5715 175.9396 17 W 4.7048 7.0299 118.4790 56.2562 29.5632 176.4680 18 F 3.9306 7.5920 120.1180 59.3285 39.5235 174.0112 19 Q 3.3875 7.0663 121.7818 56.8448 26.8545 173.6429 20 D 4.8528 7.4252 114.3423 52.6899 46.0140 175.3652 21 V 4.2030 8.5174 122.2030 62.1916 32.7813 175.2483 22 G 4.2151 8.5037 116.2466 44.7180 0.0000 171.4800 23 T 4.8712 7.6048 114.5290 61.3647 72.2848 174.0419 24 V 4.4570 8.2405 125.0980 62.4130 31.9697 176.3799 25 A 4.1301 8.6631 130.2220 54.5399 19.4703 176.7704 26 S 4.5233 7.5945 107.2257 57.5316 66.2195 173.4450 27 V 4.6779 8.2883 122.9594 61.1127 33.4277 173.8797 28 D 4.6917 8.8128 128.4182 52.9902 42.2653 176.4586 29 Q 4.6023 8.6830 127.4707 54.2348 28.7498 173.7151 30 S 4.5411 8.6584 114.6158 58.6365 68.3574 173.5904 31 G 3.8836 7.0022 117.1294 45.0202 0.0000 171.3050 32 I 4.7124 7.0945 119.3652 58.4894 41.2156 177.3748 33 K 3.6260 8.4808 119.9477 59.3891 32.2438 176.4823 34 Y 4.7908 7.0689 115.7907 55.2937 39.7687 172.5495 35 P 4.4556 0.0000 0.0000 65.2475 32.6828 176.5514 36 V 4.5381 7.8329 119.2509 61.7256 33.6490 174.8430 37 I 4.7673 8.3284 127.9471 59.8748 39.3961 174.9068 38 V 4.6068 8.4698 125.2843 60.9438 34.9552 174.0927 39 R 4.3841 8.1062 125.0637 54.3629 33.3047 174.1929 40 F 5.2107 7.7066 121.5549 56.0598 42.5445 174.4056 41 E 4.3845 8.8661 117.4592 56.9978 31.1511 176.8442 42 K 4.4453 7.9263 118.6208 55.5117 33.6343 174.7812 43 V 5.1998 8.2519 113.9337 58.7214 33.2828 173.1645 44 N 3.1400 7.5625 115.6933 51.4862 39.5006 173.9727 45 Y 4.2981 7.5449 113.9510 61.5037 38.1313 177.6540 46 S 4.2071 7.4278 113.1465 59.2950 63.9238 174.3822 47 G 3.5866 8.5880 108.2055 45.9186 0.0000 172.3299 *55 I 4.9163 7.4196 117.8368 61.4061 39.0449 176.3448 56 N 4.9983 8.7894 117.2022 53.7485 39.8708 174.3023 57 T 4.5181 7.9147 106.8958 60.0632 72.2853 173.3364 58 N 5.0819 8.4133 117.8353 52.8179 43.5506 172.3986 59 N 5.4320 8.4015 115.5963 52.1897 41.8422 174.2513 60 F 4.1210 9.4652 120.8941 55.2486 43.8452 174.2626 61 A 4.6600 8.7438 123.3499 51.1277 19.9071 178.7967 62 E 4.0650 8.9121 119.1364 59.3442 29.8144 179.2214 63 D 4.4503 8.1960 117.8282 55.6223 39.7394 176.2876 64 E 4.6960 8.1706 119.1845 56.0649 29.8763 174.9971 65 L 5.3021 7.7822 117.4290 52.0300 45.8734 176.1049 66 V 4.3886 8.1658 121.8434 60.8562 34.5715 174.0142 67 E 4.3948 8.7041 128.3627 55.4559 29.8286 177.4822 68 V 4.4333 7.6375 121.8519 59.9226 32.6336 174.6551 69 E 4.1455 7.6758 122.4465 54.6383 31.1317 174.9589 70 A 4.0605 8.3521 125.0663 51.6924 18.2695 176.0182 71 P 4.3689 0.0000 0.0000 62.9849 32.0718 176.2020 72 K 4.1540 8.3045 120.6446 56.1542 33.1767 176.9237 73 A 4.4924 8.1494 128.9323 50.9565 18.5166 179.3248 74 K 4.4340 7.3202 117.3319 55.4048 33.8102 172.3193 75 P 4.2693 0.0000 0.0000 63.4601 31.8791 176.5779 76 K 4.1875 7.3427 114.0057 55.7070 34.9965 175.1916 77 K 4.1751 8.8018 125.0018 56.7489 32.1069 176.7082 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 1 M 8.30 4.25 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 V 8.34 3.72 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 0.72 0.00 0.00 0.92 0.00 0.00 3 Q 8.81 4.48 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.43 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 4 R 8.20 4.32 0.00 1.78 1.88 0.00 3.18 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 5 G 7.99 3.73 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 0.00 0.00 0.00 6 S 7.82 4.85 0.00 3.90 3.71 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 0.00 0.00 0.00 0.00 7 K 8.64 5.06 0.00 1.71 1.70 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.26 7.81 8 V 7.98 4.63 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 0.78 0.00 0.00 0.83 0.00 0.00 9 R 8.97 4.53 0.00 1.62 1.72 0.00 3.18 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 10 I 7.83 4.17 1.80 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.12 0.78 0.00 0.00 11 L 8.01 3.99 0.00 1.64 1.63 0.79 1.03 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 12 R 7.83 4.57 0.00 2.07 2.10 0.00 3.25 0.00 0.00 3.50 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.78 0.00 13 P 0.00 4.66 0.00 2.13 2.06 0.00 3.91 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 2.15 2.37 0.00 14 E 8.26 4.15 0.00 2.07 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 0.00 2.36 2.36 0.00 15 S 8.70 4.39 0.00 4.24 4.11 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 0.00 0.00 0.00 16 Y 8.33 3.71 0.00 2.51 1.69 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.03 4.70 0.00 2.66 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 0.00 0.00 0.00 18 F 7.59 3.93 0.00 3.10 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 19 Q 7.07 3.39 0.00 2.49 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.50 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 20 D 7.43 4.85 0.00 2.79 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.52 4.20 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 0.72 0.00 0.00 0.91 0.00 0.00 22 G 8.50 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 23 T 7.60 4.87 4.09 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 1.13 0.00 0.00 24 V 8.24 4.46 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 1.28 0.00 0.00 0.91 0.00 0.00 25 A 8.66 4.13 1.20 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 0.00 0.00 0.00 26 S 7.59 4.52 0.00 3.86 3.65 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 0.00 0.00 0.00 0.00 27 V 8.29 4.68 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 0.93 0.00 0.00 28 D 8.81 4.69 0.00 2.75 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.68 4.60 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.60 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 30 S 8.66 4.54 0.00 3.95 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.00 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 0.00 0.00 0.00 32 I 7.09 4.71 1.86 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 1.48 1.03 0.91 0.00 0.00 33 K 8.48 3.63 0.00 1.11 1.70 0.00 1.61 0.00 0.00 1.48 0.00 0.00 2.71 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.25 1.02 7.81 34 Y 7.07 4.79 0.00 2.95 2.94 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 35 P 0.00 4.46 0.00 2.12 2.15 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 36 V 7.83 4.54 2.38 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 1.15 0.00 0.00 1.00 0.00 0.00 37 I 8.33 4.77 2.00 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 1.14 1.01 0.94 0.00 0.00 38 V 8.47 4.61 1.78 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 0.11 0.00 0.00 0.82 0.00 0.00 39 R 8.11 4.38 0.00 1.63 1.47 0.00 2.94 0.00 0.00 3.05 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.37 0.00 40 F 7.71 5.21 0.00 2.05 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 0.00 0.00 0.00 41 E 8.87 4.38 0.00 1.96 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 2.21 2.23 0.00 42 K 7.93 4.45 0.00 1.89 2.11 0.00 1.91 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.56 7.81 43 V 8.25 5.20 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 1.06 0.00 0.00 0.85 0.00 0.00 44 N 7.56 3.14 0.00 1.84 1.47 0.00 0.00 5.57 7.44 0.00 0.00 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 Y 7.54 4.30 0.00 3.01 2.98 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 46 S 7.43 4.21 0.00 3.93 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 47 G 8.59 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.42 4.92 2.28 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 1.21 1.03 1.25 0.00 0.00 56 N 8.79 5.00 0.00 2.72 3.05 0.00 0.00 5.42 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 57 T 7.91 4.52 4.18 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 1.10 0.00 0.00 58 N 8.41 5.08 0.00 3.36 2.85 0.00 0.00 7.05 6.73 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 59 N 8.40 5.43 0.00 2.63 2.97 0.00 0.00 6.63 7.49 0.00 0.00 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 9.47 4.12 0.00 2.91 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 61 A 8.74 4.66 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 0.00 0.00 0.00 0.00 0.00 62 E 8.91 4.06 0.00 2.19 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 0.00 2.42 2.34 0.00 63 D 8.20 4.45 0.00 2.85 2.90 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 64 E 8.17 4.70 0.00 2.36 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 2.38 2.38 0.00 65 L 7.78 5.30 0.00 1.64 1.46 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.17 4.39 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 0.91 0.00 0.00 0.90 0.00 0.00 67 E 8.70 4.39 0.00 2.01 1.84 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 2.27 2.32 0.00 68 V 7.64 4.43 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 0.76 0.00 0.00 0.97 0.00 0.00 69 E 7.68 4.15 0.00 1.98 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 2.34 2.28 0.00 70 A 8.35 4.06 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 71 P 0.00 4.37 0.00 2.04 2.01 0.00 3.67 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 2.02 2.08 0.00 72 K 8.30 4.15 0.00 1.69 1.69 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.49 7.81 73 A 8.15 4.49 1.26 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 74 K 7.32 4.43 0.00 1.64 1.66 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.44 7.81 75 P 0.00 4.27 0.00 2.07 2.08 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 76 K 7.34 4.19 0.00 1.63 1.63 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.26 1.45 7.81 77 K 8.80 4.18 0.00 1.78 1.70 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.