NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.1324 8.0544 117.9129 59.0209 34.0335 175.2420 4 S 4.7034 7.3172 113.9322 57.6169 64.5154 174.9034 5 L 4.4193 8.4544 124.2144 55.7595 43.3702 177.5981 6 S 4.4616 8.1304 111.8850 59.4594 64.1366 173.7525 7 Y 4.6263 7.8491 121.8406 55.7405 39.5898 174.5090 8 R 4.4550 7.2470 121.6486 54.0582 32.3312 175.4398 9 C 4.3419 8.1640 115.8675 56.1257 40.8438 173.4158 10 P 4.1216 0.0000 0.0000 64.8376 31.1263 177.2010 11 C 4.7131 7.4080 118.6497 55.5669 41.2655 174.6804 12 R 3.9640 8.4897 124.5114 58.8583 29.3386 172.5418 13 F 4.5513 6.9786 109.9972 56.2628 40.1829 172.6814 14 F 5.3369 8.5863 119.2849 56.0103 40.7392 175.2421 15 E 4.8080 9.0613 123.4568 55.2849 30.8019 176.9774 16 S 4.8297 8.6988 117.2682 58.6934 63.9947 173.8341 17 H 5.0938 7.9839 117.3852 55.3984 29.5753 173.4285 18 V 4.1477 8.0921 118.9020 61.3800 32.5983 174.8903 19 A 4.1873 8.4489 130.6455 51.2808 19.5470 178.2709 20 R 2.5100 7.6533 118.8353 58.4683 29.3322 178.5213 21 A 3.9414 7.4817 119.2811 53.5918 18.6236 176.9258 22 N 4.6451 8.2008 114.1985 53.0334 39.4603 174.0986 23 V 4.6371 7.2304 110.9708 60.5897 32.5701 176.1116 24 K 4.2304 9.2692 126.0413 59.6683 32.7234 177.2901 25 H 4.7540 7.7889 116.3520 55.1128 33.2289 172.4783 26 L 5.3638 8.4599 126.4798 53.5017 44.5580 176.5796 27 K 4.6769 9.2339 126.3368 53.4665 36.3090 172.9418 28 I 4.6726 8.3287 123.7452 59.5782 37.9463 175.2071 29 L 4.4397 8.8481 128.5820 53.3689 42.9667 177.1628 30 N 5.3174 8.0554 118.2068 51.7379 37.3354 174.4509 31 T 4.1362 7.5643 109.9882 61.0775 70.2345 172.6076 32 P 4.3552 0.0000 0.0000 64.7882 31.4120 175.4624 33 N 4.3208 8.9976 116.7651 54.2768 36.3098 174.4387 34 C 5.0731 7.8330 112.9615 54.6332 43.6638 174.1601 35 A 4.3228 8.3593 124.7981 51.6816 18.7233 177.4765 36 L 4.4108 8.3154 119.7648 55.5626 42.2917 177.0609 37 Q 4.6238 9.0370 121.1829 54.2322 33.7047 174.1028 38 I 4.4901 8.1689 123.5538 60.7509 38.8656 174.8664 39 V 4.8794 8.9274 126.5788 60.9665 34.6508 173.9621 40 A 5.3566 9.0612 129.1681 50.2049 22.4805 174.9481 41 R 4.8150 8.6448 120.3071 55.2615 31.9453 175.9138 42 L 4.6730 8.6466 124.2127 54.2148 42.5434 177.9797 43 K 3.4882 9.1187 124.1048 59.9777 31.9964 177.5624 44 N 4.0747 8.6198 116.4463 55.3611 38.9193 173.9708 45 N 4.7477 7.9401 111.7768 52.1589 38.3886 175.7693 46 N 4.7451 8.2590 114.9612 54.4842 38.0983 174.1900 47 R 4.2227 7.4629 115.9304 56.9550 31.5556 175.1413 48 Q 4.9644 8.4803 122.8342 55.3056 30.3103 175.1577 49 V 4.5771 8.6955 118.1629 59.9947 36.8455 173.3248 50 C 5.1911 8.5976 119.9877 55.7853 42.2766 172.5362 51 I 4.6120 8.1275 124.7142 58.9761 38.9926 174.7529 52 D 3.3700 8.1304 126.6749 54.0251 41.3820 175.7805 53 P 4.0891 0.0000 0.0000 64.6927 31.4900 177.3916 54 K 4.1748 7.8761 116.0416 56.5121 32.6628 177.6341 55 L 3.9561 7.6257 123.1217 55.5058 42.5824 178.3021 56 K 3.9019 8.8593 129.0431 59.9128 31.5916 176.0078 57 W 4.5056 8.1163 117.6329 59.2942 28.1328 178.4672 58 I 3.0746 6.3691 120.0970 63.8353 36.3755 177.7101 59 Q 3.8594 8.0800 120.7723 59.5208 28.7911 178.6268 60 E 4.0283 8.3958 119.4111 59.3359 29.4805 178.6963 61 Y 4.1743 8.5386 120.0897 60.7342 38.4160 177.9289 62 L 3.8359 8.1744 120.1577 57.7117 41.4782 178.8216 63 E 3.8813 7.6163 117.9324 59.4076 29.6018 178.6988 64 K 3.9996 7.8754 116.7143 59.6510 32.3219 179.0984 65 A 4.0281 7.8914 119.5561 53.3403 19.3180 178.3607 66 L 4.3559 7.0790 119.9125 53.5995 40.2823 177.0460 *67 N 4.5140 8.0632 118.6292 52.2431 38.3292 174.7466 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 3 V 8.05 4.13 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 0.91 0.00 0.00 0.93 0.00 0.00 4 S 7.32 4.70 0.00 3.99 4.05 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 5 L 8.45 4.42 0.00 1.69 1.71 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.13 4.46 0.00 4.01 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 7 Y 7.85 4.63 0.00 2.92 2.92 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 0.00 0.00 0.00 8 R 7.25 4.46 0.00 1.74 1.69 0.00 3.02 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.46 0.00 9 C 8.16 4.34 0.00 2.91 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 10 P 0.00 4.12 0.00 2.13 2.10 0.00 3.75 0.00 0.00 3.57 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 11 C 7.41 4.71 0.00 3.12 2.96 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 0.00 0.00 0.00 12 R 8.49 3.96 0.00 1.83 1.84 0.00 3.30 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 13 F 6.98 4.55 0.00 3.01 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 14 F 8.59 5.34 0.00 3.09 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 15 E 9.06 4.81 0.00 2.07 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 2.29 2.35 0.00 16 S 8.70 4.83 0.00 3.71 3.79 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 0.00 0.00 0.00 17 H 7.98 5.09 0.00 3.16 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.09 4.15 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 0.94 0.00 0.00 1.02 0.00 0.00 19 A 8.45 4.19 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.65 2.51 0.00 0.81 0.66 0.00 2.52 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.10 0.00 21 A 7.48 3.94 1.16 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 0.00 0.00 0.00 22 N 8.20 4.65 0.00 2.67 2.84 0.00 0.00 7.00 7.25 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 23 V 7.23 4.64 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 0.96 0.00 0.00 0.99 0.00 0.00 24 K 9.27 4.23 0.00 2.07 1.90 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.47 1.26 7.81 25 H 7.79 4.75 0.00 3.16 3.09 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.46 5.36 0.00 1.55 1.55 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.23 4.68 0.00 1.36 1.61 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.25 7.81 28 I 8.33 4.67 1.86 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 1.32 1.03 0.90 0.00 0.00 29 L 8.85 4.44 0.00 1.60 1.59 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.06 5.32 0.00 2.78 2.79 0.00 0.00 6.13 7.71 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 31 T 7.56 4.14 4.42 0.00 0.00 0.00 0.00 0.00 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 32 P 0.00 4.36 0.00 2.11 2.09 0.00 4.04 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 33 N 9.00 4.32 0.00 3.00 3.02 0.00 0.00 6.81 7.66 0.00 0.00 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 C 7.83 5.07 0.00 3.12 2.96 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 0.00 0.00 0.00 35 A 8.36 4.32 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.32 4.41 0.00 1.53 1.63 0.98 0.84 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 37 Q 9.04 4.62 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.96 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 38 I 8.17 4.49 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.66 0.81 0.00 0.00 39 V 8.93 4.88 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 1.09 0.00 0.00 0.93 0.00 0.00 40 A 9.06 5.36 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.64 4.82 0.00 1.84 1.87 0.00 3.11 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 42 L 8.65 4.67 0.00 1.80 1.59 0.96 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 43 K 9.12 3.49 0.00 1.56 1.87 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.38 7.81 44 N 8.62 4.07 0.00 2.84 2.73 0.00 0.00 6.80 7.79 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 45 N 7.94 4.75 0.00 2.96 2.99 0.00 0.00 5.70 6.96 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 46 N 8.26 4.75 0.00 2.87 3.02 0.00 0.00 7.39 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 47 R 7.46 4.22 0.00 1.89 1.84 0.00 3.17 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 48 Q 8.48 4.96 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 49 V 8.70 4.58 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 0.78 0.00 0.00 1.01 0.00 0.00 50 C 8.60 5.19 0.00 3.03 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.13 4.61 1.66 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 1.07 0.80 0.65 0.00 0.00 52 D 8.13 3.37 0.00 2.70 2.46 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 53 P 0.00 4.09 0.00 1.92 1.91 0.00 3.27 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 54 K 7.88 4.17 0.00 1.85 1.81 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.54 7.81 55 L 7.63 3.96 0.00 1.61 1.18 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.86 3.90 0.00 1.76 1.84 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.09 7.81 57 W 8.12 4.51 0.00 3.58 3.36 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 58 I 6.37 3.07 1.24 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.01 0.61 0.00 0.00 59 Q 8.08 3.86 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 60 E 8.40 4.03 0.00 2.31 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 0.00 2.37 2.47 0.00 61 Y 8.54 4.17 0.00 3.33 3.16 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 0.00 62 L 8.17 3.84 0.00 1.80 1.64 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.62 3.88 0.00 1.95 2.21 0.00 0.00 0.00 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 2.39 0.00 64 K 7.88 4.00 0.00 1.82 1.78 0.00 1.87 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.61 7.81 65 A 7.89 4.03 0.81 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 0.00 0.00 66 L 7.08 4.36 0.00 1.55 1.57 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 *67 N 8.06 4.51 0.00 2.49 2.63 0.00 0.00 6.83 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 * Residues marked with a * may have inaccurate shift predictions.