NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.1767 0.0000 0.0000 61.8600 32.9703 176.8919 3 D 4.1478 8.4058 120.3014 55.5834 41.4989 177.9396 4 F 4.4470 8.7676 115.1399 59.7665 39.0079 177.0415 5 C 4.9122 7.3673 117.3752 58.8227 39.9908 174.5123 6 L 4.1197 7.7563 119.4298 56.5818 41.7011 177.4335 7 E 4.2504 8.5576 118.7670 54.9453 30.0058 175.0882 8 P 4.2450 0.0000 0.0000 61.7498 31.9403 174.3191 9 P 3.4578 0.0000 0.0000 62.5651 31.1272 175.0474 10 Y 4.5113 8.0544 125.1119 56.3656 39.4105 175.1605 11 T 4.2191 8.3407 124.9642 64.5709 68.9992 176.1260 12 G 3.5234 6.7359 108.1797 43.5925 0.0000 171.3490 13 P 4.2381 0.0000 0.0000 65.1091 31.1977 178.0735 14 C 4.6491 7.7309 114.9390 55.9665 41.8072 173.3144 15 K 4.2106 8.0698 118.2253 55.8948 32.3381 176.2841 16 A 4.2848 7.5725 120.8701 51.4169 21.0733 177.9959 17 R 4.2577 8.3360 119.9895 54.3105 30.0574 173.0326 18 I 4.3096 8.3335 123.0027 58.7229 39.3763 174.8123 19 I 4.2294 8.2678 129.1014 61.4420 37.5528 175.7358 20 R 4.7940 8.7519 125.7778 54.6863 34.9599 173.7407 21 Y 6.0888 9.4389 117.2697 56.2378 41.2931 175.2119 22 F 5.8065 8.6290 114.8170 55.8638 42.3031 172.9675 23 Y 4.4694 9.3369 121.4439 57.3274 39.3252 174.4914 24 N 4.3244 7.7711 126.9349 51.7594 38.3666 175.2745 25 A 3.8551 7.9603 129.6264 54.9345 18.8816 178.8425 26 K 4.0417 8.1439 114.0004 59.3312 32.1025 178.0936 27 A 4.0598 8.0931 120.5130 52.3429 18.9921 178.6253 28 G 4.5035 8.2776 103.1942 45.3460 0.0000 173.2620 29 L 4.7895 7.1106 117.6777 53.6762 43.6663 175.2080 30 C 4.8197 8.8099 117.8887 57.5277 40.3861 173.1545 31 Q 4.9209 7.9492 120.8595 53.9734 32.6257 174.7582 32 T 4.6957 8.3864 110.8260 61.7640 70.5802 173.2974 33 F 4.9009 9.1327 116.9109 56.0383 42.1195 173.0628 34 V 4.2957 8.4436 119.3180 62.1219 31.8972 174.0907 35 Y 4.6554 8.6982 130.7277 55.8064 40.6729 175.8368 36 G 3.7847 8.1959 113.0171 45.4323 0.0000 175.2610 37 G 3.6415 7.9139 107.8457 44.8875 0.0000 172.4318 38 C 4.8241 6.7654 111.6240 55.2941 44.1699 173.5234 39 R 3.9577 8.7089 117.6400 57.0266 27.0874 176.1777 40 A 4.0112 8.4101 119.1332 52.9592 18.6464 178.8141 41 K 4.3844 8.2976 121.3005 55.1001 34.5183 176.5840 42 R 3.6333 8.1330 117.4165 59.4452 30.2086 177.0581 43 N 4.8454 7.7097 116.2017 53.4275 38.6776 174.9869 44 N 5.0737 6.9210 115.4942 51.8957 41.3824 172.6915 45 F 4.9954 9.1744 125.1366 55.4660 41.6742 177.1847 46 K 4.2507 8.9230 124.3445 58.6389 32.5824 178.0908 47 S 4.7099 8.0073 113.2669 55.6151 66.9060 174.7487 48 A 3.3827 7.5582 126.6417 54.7911 17.7516 179.4971 49 E 3.8081 7.8959 116.4003 59.1843 29.8948 178.2748 50 D 4.6863 7.8869 116.8063 53.6706 40.2094 177.6375 51 C 2.5789 7.7335 121.0030 59.5846 44.9115 174.6727 52 M 3.8667 7.8489 117.9152 56.7597 31.6338 176.6215 53 R 4.4521 7.5186 116.6334 56.8909 31.2819 175.6316 54 T 4.5234 7.6707 105.2335 62.0863 70.5111 175.0591 55 C 4.6171 8.1635 118.0490 56.1797 41.2758 173.9549 56 G 4.2611 6.9183 109.1365 44.7998 0.0000 172.7169 57 G 3.4769 8.4937 108.4750 43.5279 0.0000 173.7478 *58 A 4.0908 8.3470 121.3217 52.3826 18.8908 176.5892 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 2 P 0.00 4.18 0.00 0.80 1.75 0.00 3.35 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.88 0.00 3 D 8.41 4.15 0.00 2.76 2.73 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 4 F 8.77 4.45 0.00 3.18 3.27 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 5 C 7.37 4.91 0.00 3.02 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.76 4.12 0.00 1.94 1.78 0.95 1.05 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 7 E 8.56 4.25 0.00 1.97 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 2.39 2.48 0.00 8 P 0.00 4.24 0.00 2.08 1.98 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 9 P 0.00 3.46 0.00 0.49 0.49 0.00 3.34 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.44 0.00 10 Y 8.05 4.51 0.00 2.75 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 11 T 8.34 4.22 4.14 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 0.00 0.00 0.00 1.22 0.00 0.00 12 G 6.74 3.52 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 0.00 0.00 0.00 13 P 0.00 4.24 0.00 2.03 2.12 0.00 3.86 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 2.05 2.16 0.00 14 C 7.73 4.65 0.00 2.97 2.88 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 15 K 8.07 4.21 0.00 1.66 1.72 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.33 7.81 16 A 7.57 4.28 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 17 R 8.34 4.26 0.00 1.75 1.78 0.00 3.17 0.00 0.00 3.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 18 I 8.33 4.31 1.97 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 1.16 0.48 0.97 0.00 0.00 19 I 8.27 4.23 1.81 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 1.28 0.69 0.75 0.00 0.00 20 R 8.75 4.79 0.00 1.02 1.81 0.00 3.41 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 21 Y 9.44 6.09 0.00 3.37 3.05 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 22 F 8.63 5.81 0.00 3.50 3.27 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 23 Y 9.34 4.47 0.00 3.12 3.32 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 24 N 7.77 4.32 0.00 2.26 2.50 0.00 0.00 7.00 8.07 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 25 A 7.96 3.86 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.14 4.04 0.00 1.87 1.88 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.44 7.81 27 A 8.09 4.06 1.23 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 0.00 0.00 0.00 28 G 8.28 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.11 4.79 0.00 1.61 1.60 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.81 4.82 0.00 2.83 3.19 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 0.00 31 Q 7.95 4.92 0.00 1.53 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.96 0.00 0.00 0.00 0.00 0.00 2.17 1.89 0.00 32 T 8.39 4.70 4.03 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 0.00 0.00 0.66 0.00 0.00 33 F 9.13 4.90 0.00 3.06 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 34 V 8.44 4.30 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 0.72 0.00 0.00 0.91 0.00 0.00 35 Y 8.70 4.66 0.00 2.46 2.70 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 G 8.20 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.91 3.64 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 0.00 0.00 0.00 38 C 6.77 4.82 0.00 3.04 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 39 R 8.71 3.96 0.00 2.16 2.46 0.00 3.38 0.00 0.00 3.45 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 40 A 8.41 4.01 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 0.00 0.00 0.00 0.00 0.00 41 K 8.30 4.38 0.00 1.68 1.65 0.00 1.33 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.17 1.28 7.81 42 R 8.13 3.63 0.00 1.23 0.66 0.00 3.03 0.00 0.00 2.92 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.31 0.00 43 N 7.71 4.85 0.00 3.11 2.91 0.00 0.00 6.64 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 44 N 6.92 5.07 0.00 2.59 2.54 0.00 0.00 7.05 7.02 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 45 F 9.17 5.00 0.00 3.41 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 46 K 8.92 4.25 0.00 1.84 1.96 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.47 7.81 47 S 8.01 4.71 0.00 3.98 3.95 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 48 A 7.56 3.38 0.26 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 49 E 7.90 3.81 0.00 1.89 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 2.23 2.28 0.00 50 D 7.89 4.69 0.00 2.99 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 51 C 7.73 2.58 0.00 2.94 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 52 M 7.85 3.87 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 53 R 7.52 4.45 0.00 1.84 1.91 0.00 3.24 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 54 T 7.67 4.52 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 55 C 8.16 4.62 0.00 2.75 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 6.92 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 0.00 0.00 0.00 0.00 57 G 8.49 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *58 A 8.35 4.09 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 * Residues marked with a * may have inaccurate shift predictions.