NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.5367 8.1833 119.4359 57.2736 41.1801 176.7453 2 L 3.8753 8.7335 124.5955 57.8903 42.1653 177.2035 3 D 4.4497 8.3290 118.6661 57.4654 41.2497 178.5591 4 G 3.5588 8.0660 105.5786 47.9158 0.0000 175.5635 5 I 3.5745 7.6492 121.9162 63.9049 36.8537 177.8409 6 D 4.4749 7.7474 117.9863 57.4363 41.1235 178.4024 7 K 4.1184 7.5334 116.9829 59.4827 32.1992 179.0887 8 A 3.8087 7.5846 119.9035 53.8062 18.5855 178.0933 9 Q 3.9482 8.2496 119.3464 56.5985 29.6019 174.9587 10 E 4.6500 8.1431 123.2555 55.5907 32.4533 174.2981 11 E 4.1683 8.5390 119.1077 56.5240 30.2196 177.8405 12 H 4.1449 8.3811 121.0204 56.1841 27.7450 174.4731 13 E 4.5704 7.2569 122.5808 55.0240 32.6497 177.0476 14 K 3.9818 8.5598 117.3619 60.2839 31.7742 178.7299 15 Y 3.9378 8.0709 116.1670 61.2883 37.8349 177.8122 16 H 4.4499 7.9913 116.8761 58.8680 28.8746 177.5535 17 S 4.5205 8.0124 114.5853 60.2854 63.7822 174.8012 18 N 4.6270 7.8454 122.2896 51.0556 37.5649 175.4077 19 W 4.2680 8.2041 123.5076 58.9683 28.6326 178.5538 20 R 3.1446 6.5727 118.7233 58.8222 29.3712 178.3706 21 A 4.0213 7.3058 120.0788 55.4300 18.3313 179.4027 22 M 4.1995 8.1735 115.9158 58.8264 32.4395 178.1480 23 A 4.1772 8.2231 121.0405 55.3033 18.3634 179.6037 24 S 4.0714 8.4463 111.1584 61.4906 62.5317 175.7519 25 D 4.4097 8.4225 121.1515 56.9427 40.7270 177.9544 26 F 4.4245 8.2147 114.3791 55.9982 40.1139 175.2808 27 N 4.2688 8.1605 115.4251 54.6570 36.4829 173.9177 28 L 4.8603 7.6329 115.3324 51.8311 45.4208 175.4360 29 P 4.5206 0.0000 0.0000 61.9519 31.9248 175.5616 30 P 4.2494 0.0000 0.0000 65.7143 31.0053 178.8248 31 V 3.8421 7.7383 116.7657 66.1109 31.5354 178.0426 32 V 3.5113 7.6141 116.9844 65.8908 31.5195 177.8111 33 A 4.0359 7.9209 120.0356 55.1697 18.2420 179.5972 34 K 3.6489 8.8417 118.0639 59.3812 32.0659 179.1507 35 E 3.8604 8.2257 119.6276 59.3465 29.5434 178.9817 36 I 3.6871 7.6025 119.4373 64.3250 36.9134 178.5684 37 V 3.5800 7.3965 117.6190 65.9655 31.4171 177.7157 38 A 4.1116 7.9379 119.8069 55.0833 18.2294 179.4882 39 S 4.4016 7.8638 113.2565 60.3821 63.2310 174.3053 40 C 4.3248 7.9676 123.1488 58.8023 31.4602 173.5819 41 D 4.3931 8.8650 128.3970 57.4698 40.2036 178.8638 42 K 3.9463 7.9199 117.5378 59.7456 32.1662 178.7340 43 C 4.4059 7.9883 115.5292 63.2708 28.2577 174.6330 44 Q 4.0945 8.1870 121.3903 57.3056 28.9437 175.5875 45 L 4.1872 7.9008 122.4137 54.8119 42.8108 177.5789 46 K 4.1092 8.6300 121.8524 58.0372 33.1506 177.0312 *47 G 3.7302 7.9300 111.0693 45.7259 0.0000 172.2673 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 1 F 8.18 4.54 0.00 3.17 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 2 L 8.73 3.88 0.00 1.81 1.74 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.33 4.45 0.00 2.71 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 G 8.07 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.65 3.57 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.90 0.88 0.00 0.00 6 D 7.75 4.47 0.00 2.78 2.76 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 7 K 7.53 4.12 0.00 1.66 1.99 0.00 1.87 0.00 0.00 1.86 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.47 7.81 8 A 7.58 3.81 0.92 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 0.00 0.00 9 Q 8.25 3.95 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 10 E 8.14 4.65 0.00 1.94 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 2.15 2.28 0.00 11 E 8.54 4.17 0.00 2.00 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 2.33 2.31 0.00 12 H 8.38 4.14 0.00 3.10 3.27 0.00 5.91 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.26 4.57 0.00 2.14 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 2.38 2.33 0.00 14 K 8.56 3.98 0.00 1.63 1.71 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.50 7.81 15 Y 8.07 3.94 0.00 3.05 3.15 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 0.00 0.00 0.00 16 H 7.99 4.45 0.00 3.17 3.39 0.00 5.68 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.01 4.52 0.00 4.03 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 18 N 7.85 4.63 0.00 2.73 2.64 0.00 0.00 6.63 6.92 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 19 W 8.20 4.27 0.00 3.64 3.38 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 20 R 6.57 3.14 0.00 1.28 1.50 0.00 2.63 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 21 A 7.31 4.02 1.46 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 0.00 0.00 22 M 8.17 4.20 0.00 2.44 2.27 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.73 0.00 23 A 8.22 4.18 1.70 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 0.00 0.00 24 S 8.45 4.07 0.00 3.93 3.90 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 25 D 8.42 4.41 0.00 3.01 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.21 4.42 0.00 3.04 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 27 N 8.16 4.27 0.00 2.87 2.88 0.00 0.00 6.73 7.35 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 28 L 7.63 4.86 0.00 1.64 1.51 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.52 0.00 2.22 2.19 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 30 P 0.00 4.25 0.00 1.94 1.58 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.46 0.00 31 V 7.74 3.84 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 1.12 0.00 0.00 0.90 0.00 0.00 32 V 7.61 3.51 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 0.94 0.00 0.00 0.77 0.00 0.00 33 A 7.92 4.04 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.84 3.65 0.00 1.59 1.63 0.00 1.34 0.00 0.00 1.05 0.00 0.00 2.13 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.63 1.11 7.81 35 E 8.23 3.86 0.00 2.07 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 2.29 2.50 0.00 36 I 7.60 3.69 1.99 0.00 0.00 0.77 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 0.87 0.83 0.00 0.00 37 V 7.40 3.58 2.17 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 0.76 0.00 0.00 0.99 0.00 0.00 38 A 7.94 4.11 1.31 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 0.00 0.00 0.00 39 S 7.86 4.40 0.00 3.99 3.93 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 40 C 7.97 4.32 0.00 3.02 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 41 D 8.86 4.39 0.00 2.72 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 42 K 7.92 3.95 0.00 1.58 1.65 0.00 1.59 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.49 7.81 43 C 7.99 4.41 0.00 3.17 3.07 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 0.00 0.00 0.00 44 Q 8.19 4.09 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 45 L 7.90 4.19 0.00 1.68 1.59 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.63 4.11 0.00 1.75 1.86 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 *47 G 7.93 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.