NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.3447 8.1749 117.3724 63.2942 69.8002 172.8962 5 L 4.4507 8.1997 126.0005 51.5774 44.4680 174.5049 6 N 4.4790 9.4150 122.7044 53.3214 39.4579 174.2904 7 S 4.2290 8.7692 123.3217 61.8945 63.5802 175.8040 8 Y 4.0816 8.3140 120.7753 60.6941 38.4807 178.9551 9 K 4.4475 8.7369 116.4339 56.2680 31.5714 178.6290 *11 A 4.2726 8.0351 123.8278 52.2741 20.5411 178.9032 12 E 4.0149 8.0109 115.3463 59.7266 29.8066 179.9530 13 I 3.8005 7.4925 115.9075 62.2431 36.6107 177.1320 *15 Y 4.5757 8.0127 124.1312 57.4580 40.2288 177.1815 16 K 3.8275 7.7420 119.1057 59.4778 32.6665 179.2835 17 I 3.5622 7.4897 121.0155 63.8810 36.8687 177.9499 18 L 3.8172 7.4979 120.9357 58.0505 41.7354 178.4783 19 E 2.0000 6.7970 117.9982 58.3081 29.3383 178.7549 20 K 3.8783 7.0512 117.7370 59.1818 32.2747 178.8704 21 K 4.0715 8.0081 118.6957 57.0295 32.4404 177.0222 22 G 4.1816 10.4267 107.9000 45.1469 0.0000 172.4823 23 E 5.3051 7.4254 117.5348 55.1139 32.7535 174.4227 24 L 5.2632 9.3844 125.4848 53.4674 46.7319 175.3395 25 T 4.9866 9.1294 111.7923 59.0299 72.5629 174.4376 26 L 3.9380 8.7192 121.9234 58.5384 41.8110 178.4447 27 E 3.9595 7.7485 118.1097 59.6153 29.3563 179.1499 28 D 4.3460 8.1451 118.9173 57.2136 40.8648 178.9030 29 I 3.6629 7.6323 120.0014 64.2678 37.2629 178.2134 30 L 4.0179 8.0700 119.6777 57.7372 41.1988 179.5405 31 A 3.9752 7.8592 119.7545 54.9429 18.4518 179.1179 32 Q 3.8181 7.7737 116.9772 59.1050 29.1974 177.9108 33 F 4.7851 7.7434 115.7751 56.4486 40.7586 175.4711 34 E 3.8210 8.2580 117.1239 57.7594 26.7662 172.2243 35 I 4.6331 7.2635 110.5287 58.2298 41.4421 175.8973 36 S 4.4678 8.1997 115.2167 57.6858 65.0129 175.2889 37 V 3.5412 8.1943 121.2482 65.7785 31.3574 176.1246 38 P 4.4560 0.0000 0.0000 65.8790 31.2546 178.7250 39 S 4.1537 8.0305 113.4135 61.6014 62.6965 176.6254 40 A 4.0787 8.1779 123.4308 55.4158 18.0494 179.3141 41 Y 4.2206 8.2693 115.3654 61.2541 37.9730 178.4833 42 N 4.4402 8.2428 117.1715 56.3629 38.6567 177.5799 43 I 3.7494 7.7320 120.7557 64.3863 37.1812 178.1145 44 Q 4.0868 8.5534 120.8881 59.3342 28.7075 178.4937 45 R 3.9935 8.4339 119.5012 59.4965 30.1539 178.4298 46 A 4.1317 8.0449 120.1650 54.8770 18.3139 179.3487 47 L 3.7625 8.4659 119.4630 58.0829 42.0958 179.0484 48 K 4.2951 8.5247 119.5489 59.6443 31.9168 178.6063 49 A 4.2130 7.7290 120.0028 55.2443 18.4849 179.3714 50 I 3.7583 7.8343 118.3253 64.7248 37.1513 178.0197 51 C 4.5190 8.4569 117.4509 60.2308 39.8679 176.0885 52 E 3.8791 8.1701 118.9339 59.0342 29.0842 179.0842 53 R 4.1306 7.5393 116.8804 57.6361 31.7127 176.4129 54 H 4.9956 7.9796 115.7067 53.5388 29.1064 172.4328 55 P 4.5036 0.0000 0.0000 64.8957 31.9946 178.1764 56 D 4.4740 8.0350 117.3790 54.9018 40.2580 176.3926 57 E 3.8971 7.9701 118.8369 56.9215 31.9226 176.3118 58 C 5.3974 8.2384 117.4950 54.5774 44.6073 173.0566 59 E 4.6881 9.1386 124.8095 54.4779 32.5713 174.4295 60 V 4.1109 8.6265 127.5482 62.2858 32.2945 175.8755 61 Q 4.3714 9.1645 130.1119 54.7974 28.0101 172.6371 62 Y 4.3564 8.1811 122.4493 56.7684 39.2982 174.2145 63 K 4.5681 7.8235 124.9016 54.3722 35.9144 176.8287 64 N 4.1116 8.6397 118.2912 56.5866 39.1306 176.6134 65 R 3.9889 8.0663 114.0849 57.1930 30.0462 176.5591 66 K 4.1450 7.0227 116.3616 55.2851 35.3825 173.8451 67 T 4.2018 8.5128 117.8146 64.1617 69.1790 174.0287 68 T 4.7386 8.3856 122.2091 61.8212 72.6000 172.9256 69 F 5.0212 9.3863 125.9917 56.4176 40.9413 174.7445 70 K 5.0663 9.3030 124.6934 54.2322 35.3170 174.6267 71 W 4.8004 9.2752 135.0000 57.0044 31.0071 175.5348 72 I 4.4732 8.1243 119.5809 60.0642 38.4330 175.6199 73 K 3.9948 6.9455 128.9492 56.9948 31.9869 176.3346 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 4 T 8.17 4.34 4.23 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 1.20 0.00 0.00 5 L 8.20 4.45 0.00 1.59 1.43 0.80 0.72 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 6 N 9.42 4.48 0.00 2.69 2.77 0.00 0.00 7.08 7.63 0.00 0.00 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 S 8.77 4.23 0.00 3.95 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 0.00 8 Y 8.31 4.08 0.00 3.05 3.13 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 9 K 8.74 4.45 0.00 2.03 1.82 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.57 7.81 *11 A 8.04 4.27 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 12 E 8.01 4.01 0.00 2.17 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 2.09 1.92 0.00 13 I 7.49 3.80 2.14 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.30 0.97 0.00 0.00 *15 Y 8.01 4.58 0.00 3.09 3.12 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 0.00 16 K 7.74 3.83 0.00 1.87 2.02 0.00 1.33 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.66 1.40 7.81 17 I 7.49 3.56 1.74 0.00 0.00 0.68 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 0.74 0.78 0.00 0.00 18 L 7.50 3.82 0.00 1.58 1.54 1.15 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 19 E 6.80 2.00 0.00 1.16 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 1.66 1.47 0.00 20 K 7.05 3.88 0.00 1.70 1.70 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.40 7.81 21 K 8.01 4.07 0.00 1.72 1.77 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.18 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.39 7.81 22 G 10.43 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 0.00 0.00 0.00 0.00 23 E 7.43 5.31 0.00 1.99 1.80 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 2.24 2.57 0.00 24 L 9.38 5.26 0.00 1.76 1.58 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 25 T 9.13 4.99 4.32 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 1.24 0.00 0.00 26 L 8.72 3.94 0.00 1.83 1.61 0.63 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.75 3.96 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 2.32 2.38 0.00 28 D 8.15 4.35 0.00 2.85 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 29 I 7.63 3.66 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.96 1.11 0.00 0.00 30 L 8.07 4.02 0.00 1.84 1.71 0.87 0.74 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 31 A 7.86 3.98 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 32 Q 7.77 3.82 0.00 1.79 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 1.56 1.28 0.00 33 F 7.74 4.79 0.00 3.21 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 34 E 8.26 3.82 0.00 2.18 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 0.00 2.26 2.24 0.00 35 I 7.26 4.63 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.74 1.00 0.00 0.00 36 S 8.20 4.47 0.00 4.10 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 37 V 8.19 3.54 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 1.24 0.00 0.00 0.95 0.00 0.00 38 P 0.00 4.46 0.00 2.26 2.16 0.00 3.66 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 2.17 2.27 0.00 39 S 8.03 4.15 0.00 4.00 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 40 A 8.18 4.08 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 41 Y 8.27 4.22 0.00 3.25 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 42 N 8.24 4.44 0.00 2.95 2.91 0.00 0.00 6.99 7.91 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 43 I 7.73 3.75 2.07 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.63 0.99 0.00 0.00 44 Q 8.55 4.09 0.00 2.27 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.69 2.88 0.00 45 R 8.43 3.99 0.00 2.15 2.16 0.00 3.18 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 46 A 8.04 4.13 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 47 L 8.47 3.76 0.00 1.65 1.62 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.52 4.30 0.00 2.32 2.17 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.64 7.81 49 A 7.73 4.21 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.83 3.76 1.76 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.32 0.12 0.00 0.00 51 C 8.46 4.52 0.00 3.36 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 52 E 8.17 3.88 0.00 2.14 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 2.38 2.53 0.00 53 R 7.54 4.13 0.00 1.71 1.76 0.00 3.13 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 54 H 7.98 5.00 0.00 3.32 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.82 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 4.50 0.00 2.17 2.19 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 56 D 8.04 4.47 0.00 2.76 2.81 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 57 E 7.97 3.90 0.00 1.83 1.12 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 2.08 2.18 0.00 58 C 8.24 5.40 0.00 3.22 3.13 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 59 E 9.14 4.69 0.00 2.02 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 60 V 8.63 4.11 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 0.67 0.00 0.00 1.13 0.00 0.00 61 Q 9.16 4.37 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 62 Y 8.18 4.36 0.00 2.90 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.82 4.57 0.00 1.95 1.76 0.00 1.32 0.00 0.00 1.52 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.29 7.81 64 N 8.64 4.11 0.00 2.64 2.84 0.00 0.00 7.03 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 65 R 8.07 3.99 0.00 1.92 2.00 0.00 3.10 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 66 K 7.02 4.15 0.00 1.87 1.87 0.00 1.29 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.13 1.21 7.81 67 T 8.51 4.20 4.27 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 0.90 0.00 0.00 68 T 8.39 4.74 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 1.33 0.00 0.00 69 F 9.39 5.02 0.00 3.03 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 70 K 9.30 5.07 0.00 1.81 1.66 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.42 7.81 71 W 9.28 4.80 0.00 3.51 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 72 I 8.12 4.47 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.67 0.93 0.00 0.00 73 K 6.95 3.99 0.00 0.91 1.60 0.00 1.85 0.00 0.00 1.99 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.32 7.81 * Residues marked with a * may have inaccurate shift predictions.