NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.4550 8.3231 115.2924 58.1529 63.6229 172.3170 16 G 3.8442 8.0464 109.7449 44.2014 0.0000 170.8949 17 N 4.1195 9.7515 122.6546 53.8879 38.1315 172.7418 18 T 4.6731 7.3383 112.6424 62.8264 73.2782 175.2497 19 G 4.2280 8.3351 116.9424 44.6359 0.0000 172.6863 20 S 4.5950 8.0346 115.2125 57.0695 64.2700 175.0716 21 I 3.8839 8.4816 126.7473 64.3694 37.2151 177.0748 22 I 3.9152 7.4931 119.7240 60.5963 37.5898 175.5283 23 N 4.4180 8.5660 122.7397 53.4581 39.4269 174.0709 24 N 4.5762 8.4490 121.9276 53.7123 39.7286 174.5841 25 Y 4.0152 8.6404 125.1682 59.7007 39.3096 175.1435 26 Y 4.4786 8.3911 116.8011 55.9600 39.9535 175.5156 27 M 4.2955 8.2977 121.9938 55.2464 33.0961 177.3961 28 Q 4.0114 8.8588 122.6322 59.4065 29.2928 178.2225 29 Q 4.2569 8.1922 112.8774 57.6018 28.9110 175.7922 30 Y 4.3153 8.0709 116.3389 59.5125 39.9305 176.9647 31 Q 4.1402 8.4220 119.5655 58.4325 29.3293 175.0149 32 N 5.1525 7.9973 112.6423 50.9901 42.6524 173.7763 33 S 4.4121 8.3221 113.5637 58.0696 64.1416 173.5751 34 M 4.3512 8.2675 122.1145 54.3616 32.5533 176.6122 35 S 4.3819 8.5348 120.5552 58.3991 63.8162 173.3746 36 T 4.7306 8.1622 112.4901 59.9134 71.5806 172.6506 37 Q 4.6166 8.2666 119.5368 54.0077 32.5842 175.4880 38 L 4.4464 8.3230 118.9827 54.5227 41.8361 175.7082 39 G 3.9664 8.3110 113.3034 43.6446 0.0000 171.0951 *62 T 4.0860 7.9886 112.1887 62.0623 67.9437 172.5471 63 Q 4.6237 8.1041 123.8795 54.3051 33.2803 174.2372 64 N 4.6396 8.4690 116.0115 53.7601 38.3777 176.4003 65 N 4.7569 7.7472 117.5715 52.3923 38.2183 172.6213 66 D 4.8021 7.8426 122.3371 49.9891 41.9981 174.9496 67 W 4.4461 8.8162 133.3624 60.5952 30.8168 176.9817 68 F 3.9003 8.3302 116.6441 60.1926 38.2993 177.5938 69 S 4.0684 8.2261 112.8527 61.2882 62.2939 176.0817 70 K 3.7369 8.0136 121.3043 59.4228 31.5929 178.7182 71 L 3.4610 7.5903 118.8519 58.2159 42.2585 178.6925 72 A 4.1143 8.1923 120.7611 55.2718 18.1143 179.7733 73 S 4.2012 8.0924 112.8015 60.8724 62.9489 175.9713 74 S 4.3954 7.5370 114.7792 57.5979 63.5875 174.3136 75 A 4.1002 7.2567 126.3156 52.0328 18.7210 177.3228 76 F 4.6364 8.8473 124.7572 58.7614 40.0203 174.8530 77 T 4.3342 8.4770 123.7472 64.3712 71.3229 177.2765 78 G 4.0042 7.2854 108.8031 44.2649 0.0000 172.9342 79 L 4.4534 8.1049 124.9634 53.2831 45.0608 175.2692 80 F 4.5742 8.9228 128.6284 58.3821 40.3276 173.7520 81 G 3.9138 9.0273 112.9980 44.3573 0.0000 172.0848 82 A 4.6622 8.3828 121.0333 50.5180 20.6739 176.4795 83 L 4.8039 8.2168 122.1741 53.3167 44.5062 176.4789 84 L 4.5658 8.0231 124.5367 53.2309 42.3149 176.0128 85 A 4.2750 8.1896 124.9248 51.7144 18.9204 177.4662 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 15 S 8.32 4.45 0.00 3.86 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 16 G 8.05 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 17 N 9.75 4.12 0.00 2.79 2.80 0.00 0.00 6.90 7.70 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 18 T 7.34 4.67 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 1.23 0.00 0.00 19 G 8.34 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 0.00 0.00 0.00 0.00 20 S 8.03 4.59 0.00 3.89 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.48 3.88 1.88 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 1.42 0.74 0.92 0.00 0.00 22 I 7.49 3.92 1.89 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 1.31 0.35 0.94 0.00 0.00 23 N 8.57 4.42 0.00 2.67 2.73 0.00 0.00 7.02 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 24 N 8.45 4.58 0.00 2.79 2.77 0.00 0.00 6.99 7.54 0.00 0.00 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 Y 8.64 4.02 0.00 2.82 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 26 Y 8.39 4.48 0.00 3.15 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 27 M 8.30 4.30 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.51 0.00 28 Q 8.86 4.01 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.98 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 29 Q 8.19 4.26 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 30 Y 8.07 4.32 0.00 3.18 3.08 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 0.00 0.00 0.00 0.00 31 Q 8.42 4.14 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 32 N 8.00 5.15 0.00 2.71 2.68 0.00 0.00 7.09 6.98 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 33 S 8.32 4.41 0.00 3.96 3.84 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 0.00 0.00 0.00 34 M 8.27 4.35 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 35 S 8.53 4.38 0.00 3.86 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 36 T 8.16 4.73 4.24 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 1.20 0.00 0.00 37 Q 8.27 4.62 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 38 L 8.32 4.45 0.00 1.66 1.62 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.31 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.99 4.09 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 1.23 0.00 0.00 63 Q 8.10 4.62 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.51 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 64 N 8.47 4.64 0.00 2.70 2.80 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 65 N 7.75 4.76 0.00 2.74 2.78 0.00 0.00 6.94 8.47 0.00 0.00 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 D 7.84 4.80 0.00 2.70 2.50 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 67 W 8.82 4.45 0.00 3.30 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 68 F 8.33 3.90 0.00 3.22 3.17 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 69 S 8.23 4.07 0.00 4.07 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 0.00 70 K 8.01 3.74 0.00 1.61 1.61 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.62 7.81 71 L 7.59 3.46 0.00 0.70 1.53 0.52 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.19 4.11 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 73 S 8.09 4.20 0.00 3.89 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 74 S 7.54 4.40 0.00 3.97 3.94 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 75 A 7.26 4.10 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 0.00 0.00 0.00 0.00 0.00 76 F 8.85 4.64 0.00 2.88 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 77 T 8.48 4.33 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 1.14 0.00 0.00 78 G 7.29 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 79 L 8.10 4.45 0.00 1.49 1.51 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.92 4.57 0.00 3.39 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 81 G 9.03 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 0.00 0.00 0.00 82 A 8.38 4.66 1.27 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 0.00 0.00 83 L 8.22 4.80 0.00 1.61 1.54 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.02 4.57 0.00 1.58 1.50 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.19 4.27 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 * Residues marked with a * may have inaccurate shift predictions.