NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.2666 8.0433 120.5779 54.5886 43.7660 175.8122 10 L 4.4566 8.6465 124.1096 53.8323 41.1525 174.6669 11 L 4.8635 8.1410 123.7043 53.2904 44.8848 175.0517 12 E 5.1497 8.4584 117.0993 55.4083 32.6623 174.1964 13 C 5.3664 8.6505 118.7150 57.8216 30.4903 173.1563 14 T 4.3173 8.2156 119.5475 60.2961 67.2917 172.6306 15 E 3.9246 8.0932 130.9459 56.1757 30.7081 176.0699 16 C 3.9076 8.6524 121.7100 60.2260 29.5349 173.7550 17 K 4.0083 10.0690 123.7549 56.6917 28.8261 176.4771 18 R 4.4810 7.1473 115.0204 56.4036 33.2617 173.6356 19 R 4.2992 7.9522 114.3254 57.1758 29.3201 175.0951 20 N 4.7703 9.2012 114.6227 53.5697 39.3419 172.4189 21 Y 4.9923 8.4061 116.6938 56.8219 41.9897 174.6761 22 A 4.3016 8.5329 123.3966 51.1043 21.4792 176.5250 23 T 3.5491 7.8415 104.3046 62.9657 67.2378 171.7088 24 E 4.3450 7.9166 128.9184 57.6918 32.8170 179.0240 25 K 4.9976 8.0521 122.3102 57.8529 34.4593 175.0083 26 N 4.8022 8.6059 127.9135 52.0722 41.5059 176.2350 27 K 4.5581 8.3479 121.0141 56.9888 35.6619 179.6563 28 R 3.3277 8.7299 120.3345 56.9597 31.3439 176.4920 29 N 4.1816 9.4928 111.7672 56.6352 38.8008 174.7341 30 T 3.6720 8.2917 116.0490 64.0535 67.5632 174.4639 31 P 3.9963 0.0000 0.0000 62.9292 28.0801 174.2759 32 N 4.6118 7.6420 127.3755 52.8443 40.3509 169.7252 33 K 3.9360 9.2990 123.5903 57.0663 32.4164 175.3651 34 L 3.8953 8.5131 121.6242 56.3449 38.0760 174.3057 35 E 4.3227 8.1896 118.7558 55.8534 30.5684 175.8863 36 L 5.0895 7.8590 123.4237 55.8448 42.3052 173.5288 37 R 4.3719 8.8983 116.6891 55.1271 34.9319 173.5351 38 K 4.8579 8.7450 125.0043 56.8539 32.2376 174.3497 39 Y 4.7272 8.4790 127.0851 55.6465 42.0968 173.6846 40 C 4.2062 6.8592 122.5746 56.6747 32.3669 171.6550 41 P 4.9437 0.0000 0.0000 61.3998 32.1846 175.6200 42 W 5.1033 8.6422 127.5710 59.1855 31.1970 176.0919 43 C 4.2052 7.9857 118.9708 58.2356 29.3580 173.0900 44 R 4.0940 7.9565 123.1215 54.9332 29.0840 175.8732 45 K 4.4904 8.1859 117.9396 55.4894 33.4265 176.7415 46 H 4.8377 8.5994 116.7656 55.5815 31.4761 176.1625 47 T 4.6337 8.0281 114.9071 64.3191 68.6729 176.6439 48 V 3.9351 8.7747 124.0347 62.6990 32.8348 171.2132 49 H 4.2729 8.0896 125.4853 55.2620 28.1692 173.8040 50 R 4.7602 7.9709 129.6094 56.0250 32.1462 174.5427 51 E 4.3905 8.3733 120.7591 58.8591 28.5962 175.3568 52 V 3.2838 8.5188 125.7905 63.0428 29.1568 171.7597 *53 K 4.1330 8.2783 126.5299 54.6312 32.2491 173.5632 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 9 L 8.04 4.27 0.00 1.61 1.65 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.65 4.46 0.00 1.59 1.63 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.14 4.86 0.00 1.57 1.54 0.92 0.66 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 12 E 8.46 5.15 0.00 2.07 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 2.22 2.59 0.00 13 C 8.65 5.37 0.00 2.74 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 T 8.22 4.32 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 1.33 0.00 0.00 15 E 8.09 3.92 0.00 1.92 1.94 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 2.23 2.15 0.00 16 C 8.65 3.91 0.00 3.10 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 17 K 10.07 4.01 0.00 1.95 2.03 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.34 7.81 18 R 7.15 4.48 0.00 1.84 1.83 0.00 3.17 0.00 0.00 3.26 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.96 0.00 19 R 7.95 4.30 0.00 1.90 1.84 0.00 3.22 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 20 N 9.20 4.77 0.00 3.00 2.81 0.00 0.00 6.69 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 21 Y 8.41 4.99 0.00 2.97 2.81 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 22 A 8.53 4.30 0.39 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 0.00 0.00 23 T 7.84 3.55 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 1.23 0.00 0.00 24 E 7.92 4.34 0.00 1.88 1.76 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 2.17 2.29 0.00 25 K 8.05 5.00 0.00 1.68 1.66 0.00 1.58 0.00 0.00 2.35 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.17 1.29 7.81 26 N 8.61 4.80 0.00 2.64 2.86 0.00 0.00 6.92 7.61 0.00 0.00 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 K 8.35 4.56 0.00 1.71 1.71 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.33 7.81 28 R 8.73 3.33 0.00 1.84 1.43 0.00 3.27 0.00 0.00 3.22 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 29 N 9.49 4.18 0.00 2.75 2.89 0.00 0.00 6.83 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 30 T 8.29 3.67 4.27 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 1.21 0.00 0.00 31 P 0.00 4.00 0.00 2.09 2.26 0.00 3.62 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 1.99 2.10 0.00 32 N 7.64 4.61 0.00 2.80 2.63 0.00 0.00 7.29 6.68 0.00 0.00 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 K 9.30 3.94 0.00 1.96 1.85 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.39 7.81 34 L 8.51 3.90 0.00 1.82 1.85 0.92 1.01 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 35 E 8.19 4.32 0.00 1.95 1.83 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 2.27 2.35 0.00 36 L 7.86 5.09 0.00 1.79 1.59 0.93 0.72 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 37 R 8.90 4.37 0.00 1.69 1.83 0.00 3.20 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 38 K 8.74 4.86 0.00 1.82 1.84 0.00 1.59 0.00 0.00 2.37 0.00 0.00 2.76 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.63 7.81 39 Y 8.48 4.73 0.00 2.71 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 0.00 0.00 0.00 40 C 6.86 4.21 0.00 2.61 2.30 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 41 P 0.00 4.94 0.00 2.29 2.24 0.00 3.52 0.00 0.00 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.04 0.00 42 W 8.64 5.10 0.00 3.20 3.09 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 0.00 0.00 0.00 0.00 43 C 7.99 4.21 0.00 2.99 2.87 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 0.00 0.00 0.00 44 R 7.96 4.09 0.00 2.01 2.01 0.00 3.28 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 45 K 8.19 4.49 0.00 1.76 1.75 0.00 1.81 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.40 7.81 46 H 8.60 4.84 0.00 3.31 3.43 0.00 5.48 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.03 4.63 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 1.24 0.00 0.00 48 V 8.77 3.94 2.12 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 0.95 0.00 0.00 0.95 0.00 0.00 49 H 8.09 4.27 0.00 3.41 3.36 0.00 5.80 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.97 4.76 0.00 1.83 1.82 0.00 3.27 0.00 0.00 3.22 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 51 E 8.37 4.39 0.00 2.11 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 2.30 2.22 0.00 52 V 8.52 3.28 2.13 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 0.77 0.00 0.00 0.95 0.00 0.00 *53 K 8.28 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.