NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4812 8.3344 116.8047 58.3372 64.8194 173.0399 8 D 4.8400 7.9894 120.0287 51.6062 43.0348 173.9116 9 F 5.5369 8.8342 117.8923 55.2585 42.0540 173.5728 10 V 4.6808 9.2249 112.3550 59.6099 35.5003 174.8171 11 V 4.7950 8.6603 123.9558 61.3776 33.6651 174.4157 12 I 4.9578 8.9674 128.9337 59.4648 40.2872 174.1859 13 K 5.0099 9.3630 129.2346 54.4121 34.5763 174.8415 14 A 4.5929 8.7561 130.0198 51.9269 19.2658 177.5367 15 L 4.6594 9.1095 122.7125 54.9508 42.6770 175.7300 16 E 4.7853 7.7731 115.7231 54.6875 33.0979 174.5874 17 D 4.5905 8.7062 119.3490 55.0893 41.5172 176.1120 18 G 3.8424 8.3431 107.5980 46.7443 0.0000 174.3796 19 V 3.9700 7.8477 119.4061 62.3351 33.2159 174.1269 20 N 5.0866 9.3436 126.3115 51.9132 40.9567 173.2909 21 V 4.5450 8.6981 127.5301 61.5751 33.0179 173.9117 22 I 4.7611 8.8044 130.3368 59.6796 39.2582 175.2014 23 G 4.3030 9.6123 116.2455 45.0320 0.0000 172.4590 24 L 4.8205 8.7078 124.7548 53.2595 44.4294 176.2170 25 T 4.0754 8.2288 113.2796 64.1746 68.0970 176.7094 *31 R 4.3377 7.7481 119.1940 55.3747 31.9639 174.4399 32 F 5.0272 8.7679 116.6581 56.4524 40.3368 174.6070 33 H 4.6349 9.0457 121.9426 57.6227 29.7967 175.0535 34 H 4.7442 8.1139 120.2600 54.0209 32.0909 172.4122 35 S 4.7345 8.5616 120.5227 57.1992 64.5337 173.2781 36 E 4.4599 8.4307 127.1458 55.5410 32.4642 174.9197 37 K 4.7958 8.6759 131.0228 54.9575 33.0870 172.7621 38 L 4.9885 9.0223 123.2855 52.6605 45.5308 175.5665 39 D 5.1745 9.7591 122.8609 51.8390 44.0589 175.7383 40 K 3.9678 8.7460 122.0769 59.0706 32.1361 177.0535 41 G 4.0083 9.3259 115.9014 44.9933 0.0000 173.0963 42 E 4.3305 8.2514 119.8157 56.0825 30.9826 175.8584 43 V 4.9378 8.2749 121.6113 61.0197 34.3845 174.2469 44 L 4.7201 9.0002 129.5271 53.2864 44.9370 174.9897 45 I 4.8569 8.4779 126.5603 59.8231 38.7023 174.3655 46 A 4.6377 9.0315 130.4049 50.1559 20.9058 175.2818 47 Q 4.9973 8.4839 123.5522 54.3248 31.4980 174.8461 48 F 4.4804 8.7276 124.3032 57.5138 39.6459 175.8387 49 T 4.5804 8.4588 114.6239 59.7331 71.1665 174.3440 50 E 4.1457 8.7751 118.6708 59.8501 29.7665 177.8258 51 H 4.0220 8.4588 115.5409 57.8796 28.7999 174.8458 52 T 4.7686 7.4892 115.3880 61.7911 69.0481 173.9860 53 S 4.5017 8.8994 122.2738 60.5401 63.8438 174.5627 54 A 5.1122 8.0333 120.7836 49.6137 22.8894 174.6394 55 I 4.9127 8.4502 119.2534 59.4128 40.4612 174.8104 56 K 4.5656 9.1190 128.7950 54.5705 34.6290 174.8350 57 V 4.7901 8.3785 126.3771 61.1359 33.7660 174.2767 58 R 4.4745 9.0426 129.0823 55.2161 32.2137 174.4550 59 G 4.0572 8.8930 111.3575 43.1572 0.0000 172.5375 60 K 4.6107 9.0386 121.1871 55.9739 32.8377 175.5624 61 A 5.1530 9.1176 128.7066 50.6656 23.5487 173.5983 62 Y 4.9737 9.1799 121.6183 56.0980 40.8650 174.5316 63 I 4.9260 8.5358 127.5705 59.4956 40.7316 174.3720 64 Q 4.8274 9.1894 126.0152 54.2293 31.5550 174.8890 65 T 4.8600 8.4788 112.9037 59.2353 72.3850 174.6824 66 R 3.6477 8.5184 121.4281 59.6200 29.8215 176.3551 67 H 4.6957 7.6232 112.3957 55.4519 29.0529 174.0832 68 G 3.7147 8.0248 106.8415 44.2279 0.0000 173.4229 69 V 4.5589 7.7848 111.1782 60.6306 33.5096 175.6251 70 I 4.4503 8.1990 121.0207 60.0386 41.8605 172.5806 71 E 5.2466 8.7537 128.2953 54.3893 31.8400 174.9429 72 S 4.6509 9.3294 124.8127 57.9066 65.2690 173.6497 73 E 4.7369 8.8425 122.3290 54.6714 30.7586 173.6743 74 G 3.7379 8.4849 113.8108 44.9839 0.0000 172.0897 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 7 S 8.33 4.48 0.00 3.92 4.02 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 8 D 7.99 4.84 0.00 2.81 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.83 5.54 0.00 3.14 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 10 V 9.22 4.68 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 0.86 0.00 0.00 11 V 8.66 4.79 2.15 0.00 0.00 0.00 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 1.15 0.00 0.00 12 I 8.97 4.96 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.70 0.92 0.00 0.00 13 K 9.36 5.01 0.00 1.87 1.81 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.76 4.59 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 15 L 9.11 4.66 0.00 1.59 1.73 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.77 4.79 0.00 1.91 1.90 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 2.18 2.34 0.00 17 D 8.71 4.59 0.00 2.69 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 18 G 8.34 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 0.00 0.00 0.00 19 V 7.85 3.97 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 1.03 0.00 0.00 1.01 0.00 0.00 20 N 9.34 5.09 0.00 2.82 2.65 0.00 0.00 6.57 7.56 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 21 V 8.70 4.55 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 0.87 0.00 0.00 0.91 0.00 0.00 22 I 8.80 4.76 1.88 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 1.20 0.60 1.00 0.00 0.00 23 G 9.61 4.30 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 0.00 24 L 8.71 4.82 0.00 1.78 1.49 0.66 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.23 4.08 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 1.31 0.00 0.00 *31 R 7.75 4.34 0.00 2.00 2.13 0.00 3.27 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 32 F 8.77 5.03 0.00 2.82 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 33 H 9.05 4.63 0.00 3.19 3.49 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.11 4.74 0.00 2.80 2.94 0.00 5.76 0.00 0.00 0.00 0.00 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.56 4.73 0.00 3.92 3.70 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 36 E 8.43 4.46 0.00 1.97 1.76 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 2.17 2.27 0.00 37 K 8.68 4.80 0.00 1.58 1.57 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.64 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.35 1.04 7.81 38 L 9.02 4.99 0.00 1.51 1.54 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.76 5.17 0.00 2.83 2.65 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 40 K 8.75 3.97 0.00 1.75 1.84 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.47 7.81 41 G 9.33 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 42 E 8.25 4.33 0.00 2.11 1.87 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 2.32 2.25 0.00 43 V 8.27 4.94 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.00 4.72 0.00 1.74 1.45 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.48 4.86 1.71 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.91 0.57 0.00 0.00 46 A 9.03 4.64 1.11 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 0.00 0.00 47 Q 8.48 5.00 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 48 F 8.73 4.48 0.00 3.07 2.99 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 49 T 8.46 4.58 4.31 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 0.00 0.00 1.24 0.00 0.00 50 E 8.78 4.15 0.00 2.10 2.15 0.00 0.00 0.00 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 2.34 0.00 51 H 8.46 4.02 0.00 3.13 3.40 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.49 4.77 4.35 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 1.28 0.00 0.00 53 S 8.90 4.50 0.00 3.90 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 54 A 8.03 5.11 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 55 I 8.45 4.91 1.82 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.60 0.84 0.00 0.00 56 K 9.12 4.57 0.00 1.72 1.60 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.34 7.81 57 V 8.38 4.79 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 0.84 0.00 0.00 0.92 0.00 0.00 58 R 9.04 4.47 0.00 1.92 1.76 0.00 3.16 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 59 G 8.89 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.04 4.61 0.00 1.89 1.73 0.00 1.62 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.43 7.81 61 A 9.12 5.15 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 62 Y 9.18 4.97 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 63 I 8.54 4.93 1.87 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 1.20 0.60 0.85 0.00 0.00 64 Q 9.19 4.83 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 65 T 8.48 4.86 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 66 R 8.52 3.65 0.00 1.57 1.78 0.00 3.18 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 67 H 7.62 4.70 0.00 3.19 3.25 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.02 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 0.00 0.00 0.00 69 V 7.78 4.56 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.98 0.00 0.00 70 I 8.20 4.45 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.98 0.85 0.00 0.00 71 E 8.75 5.25 0.00 2.10 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 2.24 2.38 0.00 72 S 9.33 4.65 0.00 3.91 3.98 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 73 E 8.84 4.74 0.00 1.75 1.81 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 2.13 1.85 0.00 74 G 8.48 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.