NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4740 8.3344 116.8045 58.3391 64.8044 173.0232 8 D 4.8736 7.9710 120.1468 51.5353 43.1998 173.8493 9 F 5.5363 8.8066 117.4542 55.3404 42.0737 173.5041 10 V 4.6742 9.3430 112.3285 59.6186 35.4785 174.8674 11 V 4.7364 8.6445 124.4103 61.5276 33.5165 174.4928 12 I 4.9907 9.0173 128.7931 59.4231 40.5829 174.1240 13 K 5.0337 9.4094 129.0336 54.4597 34.4679 174.8077 14 A 4.6022 8.7670 130.0733 51.9245 19.1286 177.5703 15 L 4.4633 9.1826 123.0505 55.1240 43.0624 175.8435 16 E 4.8205 7.7791 116.2854 54.3531 33.7424 174.5894 17 D 4.6923 8.7429 119.2868 54.9924 41.5087 176.0561 18 G 3.8755 8.3849 106.7862 46.7247 0.0000 174.4413 19 V 3.9774 7.8751 119.1845 62.3078 33.3488 174.2341 20 N 5.2168 9.3778 125.9597 51.9202 41.3694 173.2579 21 V 4.5854 8.7482 127.7385 61.6273 33.1838 174.1273 22 I 4.6257 9.0470 130.4585 59.6203 39.1242 175.2527 23 G 4.3578 9.6601 116.1984 45.1205 0.0000 172.5002 24 L 5.0721 8.8526 124.4043 53.2645 44.6890 177.9451 25 T 4.1878 8.8790 112.4691 63.8489 69.7686 176.1101 *32 F 4.8194 7.5988 114.8783 56.2770 39.0255 174.7765 33 H 4.1613 8.4389 122.1180 59.8202 30.4196 174.0108 34 H 4.8403 8.1282 122.5955 54.6554 31.0674 173.0023 35 S 4.9343 8.4522 120.5443 57.1006 64.5957 173.2895 36 E 4.4610 8.4849 128.0110 55.5252 32.4545 174.8969 37 K 4.7582 8.6726 131.0732 54.9478 33.0380 172.7778 38 L 4.9736 9.0169 123.5735 52.5784 45.5046 175.4635 39 D 5.0974 10.1743 123.8313 51.9824 43.7673 175.7036 40 K 4.2228 8.0039 121.5228 58.2954 32.0223 176.8601 41 G 4.0033 9.5244 116.6692 45.0348 0.0000 173.0716 42 E 4.3168 8.4240 120.0000 56.1494 30.9947 175.9106 43 V 4.9304 8.2502 121.3868 61.0524 34.4125 174.1979 44 L 4.6829 9.1297 129.9844 53.3450 44.6984 175.0220 45 I 4.8484 8.4736 126.8234 59.8570 38.3061 174.2402 46 A 4.6294 8.9728 130.1884 50.2306 20.8459 175.3780 47 Q 5.0773 8.4687 123.2766 54.2115 31.6445 174.8604 48 F 4.4630 8.7881 124.3993 57.5765 39.6637 175.8285 49 T 4.5773 8.4357 114.5846 59.7830 71.1715 174.2888 50 E 4.1523 8.7751 118.6257 59.8597 29.7598 177.7513 51 H 4.0386 8.5307 116.6234 57.9450 28.8450 174.2811 52 T 4.8987 7.5034 115.4997 61.8005 68.8970 173.9518 53 S 4.5495 8.8388 122.4757 60.4839 63.9349 174.5634 54 A 5.1570 8.0715 120.2464 49.8152 22.9948 174.7892 55 I 4.9618 8.5078 119.1719 59.4420 40.5785 174.7997 56 K 4.5966 9.3065 128.8096 54.5839 34.6338 174.8895 57 V 4.7608 8.4079 126.4565 61.2250 33.7449 174.2436 58 R 4.4638 9.1566 129.3589 54.8124 31.9582 174.7540 59 G 4.1969 8.8610 111.2899 43.0611 0.0000 172.9998 60 K 4.6046 9.0428 119.4947 56.0856 32.6716 176.5761 61 A 5.0810 9.0600 126.3011 50.6564 23.5301 173.6718 62 Y 5.0281 9.2854 121.4181 56.0828 40.9735 174.6059 63 I 4.9500 8.5046 127.2808 59.5190 41.0714 174.2719 64 Q 4.9534 9.1256 126.0568 54.2699 31.5641 174.8832 65 T 4.8247 8.5494 112.8024 59.3204 72.4362 174.6438 66 R 3.6597 8.5759 121.2021 59.5967 29.8173 176.4099 67 H 4.6701 7.5219 112.3444 55.3804 29.0282 173.5056 68 G 3.6675 7.7035 106.4907 44.2318 0.0000 173.5066 69 V 4.5738 7.8256 111.5214 60.4735 33.7192 175.4850 70 I 4.4130 8.1329 120.5255 60.1432 41.8825 172.5033 71 E 5.2505 8.7731 128.0428 54.3789 31.9770 174.9490 72 S 4.5749 9.1513 122.4592 56.7681 64.9734 173.8952 73 E 4.9861 8.5185 124.9524 54.5372 28.8564 175.6795 74 G 3.7631 7.7251 111.3486 45.5406 0.0000 171.6236 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 4.47 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 7.97 4.87 0.00 2.80 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.81 5.54 0.00 3.15 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 9.34 4.67 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 0.76 0.00 0.00 0.88 0.00 0.00 11 V 8.64 4.74 2.14 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 1.04 0.00 0.00 1.16 0.00 0.00 12 I 9.02 4.99 1.88 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 1.10 0.55 0.92 0.00 0.00 13 K 9.41 5.03 0.00 1.89 1.82 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.41 7.81 14 A 8.77 4.60 1.36 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 0.00 0.00 0.00 15 L 9.18 4.46 0.00 1.58 1.73 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.78 4.82 0.00 1.97 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 2.25 2.32 0.00 17 D 8.74 4.69 0.00 2.69 2.63 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 0.00 0.00 0.00 0.00 18 G 8.38 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 19 V 7.88 3.98 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 1.03 0.00 0.00 1.03 0.00 0.00 20 N 9.38 5.22 0.00 2.78 2.61 0.00 0.00 6.63 7.75 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 21 V 8.75 4.59 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 0.88 0.00 0.00 0.92 0.00 0.00 22 I 9.05 4.63 1.90 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 1.15 0.44 0.97 0.00 0.00 23 G 9.66 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 0.00 0.00 0.00 0.00 24 L 8.85 5.07 0.00 1.89 1.61 1.07 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.88 4.19 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 1.21 0.00 0.00 *32 F 7.60 4.82 0.00 3.15 3.25 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 33 H 8.44 4.16 0.00 3.12 3.42 0.00 5.88 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 34 H 8.13 4.84 0.00 3.36 3.23 0.00 5.82 0.00 0.00 0.00 0.00 6.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.45 4.93 0.00 3.89 3.69 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 36 E 8.48 4.46 0.00 1.94 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 0.00 2.18 2.28 0.00 37 K 8.67 4.76 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 2.60 0.00 0.00 0.00 0.00 1.35 1.04 7.81 38 L 9.02 4.97 0.00 1.51 1.54 0.92 0.85 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 10.17 5.10 0.00 2.74 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 8.00 4.22 0.00 1.78 1.84 0.00 1.63 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.49 7.81 41 G 9.52 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 0.00 0.00 0.00 42 E 8.42 4.32 0.00 2.06 1.88 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 2.33 2.26 0.00 43 V 8.25 4.93 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 9.13 4.68 0.00 1.73 1.47 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.47 4.85 1.73 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 1.22 0.91 0.60 0.00 0.00 46 A 8.97 4.63 1.13 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 0.00 0.00 47 Q 8.47 5.08 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 48 F 8.79 4.46 0.00 3.07 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 49 T 8.44 4.58 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 1.23 0.00 0.00 50 E 8.78 4.15 0.00 2.11 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 2.35 0.00 51 H 8.53 4.04 0.00 3.26 3.44 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.50 4.90 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 1.31 0.00 0.00 53 S 8.84 4.55 0.00 3.93 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 54 A 8.07 5.16 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 55 I 8.51 4.96 1.82 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.58 0.86 0.00 0.00 56 K 9.31 4.60 0.00 1.81 1.66 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.37 7.81 57 V 8.41 4.76 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 0.85 0.00 0.00 0.93 0.00 0.00 58 R 9.16 4.46 0.00 1.90 1.74 0.00 3.10 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 59 G 8.86 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 0.00 0.00 0.00 0.00 60 K 9.04 4.60 0.00 1.91 1.79 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.41 7.81 61 A 9.06 5.08 1.24 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 0.00 0.00 0.00 62 Y 9.29 5.03 0.00 2.97 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 63 I 8.50 4.95 1.88 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 1.20 0.58 0.86 0.00 0.00 64 Q 9.13 4.95 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 65 T 8.55 4.82 4.13 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 1.19 0.00 0.00 66 R 8.58 3.66 0.00 1.58 1.77 0.00 3.18 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 67 H 7.52 4.67 0.00 3.14 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 7.70 3.67 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 0.00 69 V 7.83 4.57 1.62 0.00 0.00 0.00 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 1.02 0.00 0.00 70 I 8.13 4.41 1.84 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 1.11 1.20 0.87 0.00 0.00 71 E 8.77 5.25 0.00 2.11 1.85 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 2.23 2.37 0.00 72 S 9.15 4.57 0.00 3.92 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 8.52 4.99 0.00 1.91 1.89 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 2.19 2.33 0.00 74 G 7.73 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.