NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3687 8.1593 112.9183 60.4898 70.3891 172.8971 4 K 4.5473 8.0663 124.5606 52.6508 35.3663 175.2224 5 L 3.9122 9.4809 124.0183 58.5255 42.8215 180.5537 6 L 3.9552 8.0202 116.0772 57.7179 41.6032 178.2057 7 D 4.5558 8.0312 117.3418 55.6120 41.0176 176.9959 8 I 4.3031 7.7563 110.9383 60.7710 39.0712 176.2002 9 L 4.2092 7.6952 120.2349 54.7192 42.1791 175.5180 10 A 4.7469 7.8416 121.9417 50.5441 22.3483 175.7484 11 C 4.2849 9.1047 121.1373 58.6066 32.0836 173.2576 12 P 4.1791 0.0000 0.0000 65.7568 31.3094 177.8665 13 I 3.9828 7.5187 119.2133 63.7233 37.1330 176.5938 14 C 4.5220 7.9699 112.0696 57.0981 30.4450 174.6741 15 K 4.1173 8.3676 119.0102 57.2041 29.9700 175.9455 16 G 3.9780 7.3836 109.0194 43.4828 0.0000 172.0968 17 P 4.6246 0.0000 0.0000 62.7711 31.7772 175.5407 18 L 5.2115 8.2102 118.4384 53.0477 44.9911 175.9684 19 K 4.7230 8.7082 120.2633 54.3133 36.3134 175.1826 20 L 4.6438 8.5005 125.7068 54.4363 42.5942 176.7509 21 S 4.3217 9.0207 121.6583 58.4915 63.5589 175.5637 22 A 3.9393 8.7229 123.9565 55.1627 18.2503 178.3381 23 D 4.5942 8.1003 112.5726 52.6195 39.9674 176.1448 24 K 3.9294 7.9190 118.4263 58.5314 31.9193 175.7155 25 T 4.5583 8.4786 109.0531 62.8483 70.7629 173.2753 26 E 5.2488 8.3131 120.7384 54.7639 34.9045 174.2529 27 L 5.0320 9.0204 121.1682 53.2512 44.1585 176.0590 28 I 4.3541 9.2411 126.7176 60.7128 38.8499 175.1902 29 S 4.8834 9.3663 122.7522 56.4169 63.3350 174.6136 30 K 3.9707 8.7480 127.7582 59.0840 32.2506 179.8555 31 G 3.8276 8.2121 106.4629 47.9428 0.0000 173.4218 32 A 4.5480 7.3395 117.7473 50.7892 20.2698 176.0231 33 G 3.9200 8.3096 104.3422 46.4846 0.0000 173.3902 34 L 5.2083 7.9790 117.4006 52.3277 46.5523 175.9909 35 A 4.7109 8.2914 121.9092 50.3352 21.9073 174.9297 36 Y 4.6648 8.5632 121.2776 57.4448 39.4394 174.0225 37 P 4.7202 0.0000 0.0000 62.8303 33.2734 175.1638 38 I 4.8553 8.5688 123.6540 59.9346 38.5435 175.5274 39 R 4.6039 8.4671 125.9775 55.6056 33.5476 175.2733 40 D 4.4752 9.8163 119.5012 55.4282 38.5552 174.3565 41 G 3.9501 8.4922 102.9813 46.1821 0.0000 174.0321 42 I 4.5337 7.7340 120.1394 58.1822 40.2476 172.8674 43 P 4.6824 0.0000 0.0000 62.5464 31.8574 176.4918 44 V 3.9255 8.8184 125.9327 61.8769 33.3667 174.7864 *46 L 4.0954 8.1713 120.5520 54.3737 42.2252 178.0988 47 E 4.0472 9.1677 124.5948 59.3274 29.8302 178.9941 48 S 4.1965 8.1963 112.0668 60.5383 63.0723 174.5935 49 E 4.4215 8.1438 118.5904 56.4380 30.5950 176.2121 50 A 4.3239 7.4019 119.9544 52.0578 19.4257 176.7268 51 R 4.5058 8.4632 120.3366 54.7982 32.3864 175.6132 52 T 4.5395 8.3659 123.0410 63.1224 69.0906 174.4971 53 L 4.3301 8.4382 127.5602 54.8438 42.5491 177.5579 54 T 4.1741 9.2420 113.8144 61.2967 70.1795 175.6897 55 T 3.8933 8.7361 120.5293 67.6862 68.1352 177.2442 56 E 4.0428 8.1206 118.0030 61.2152 29.7592 180.3526 57 E 4.3234 7.5867 116.6709 59.3271 29.5800 179.1720 58 R 4.1424 7.6027 116.9863 57.7065 30.4263 177.1633 59 L 4.1625 7.2871 119.7327 55.2962 42.2599 176.3835 60 D 4.8563 8.4116 121.2095 51.9572 41.1490 178.9312 61 K 3.8489 8.8447 128.4786 56.8587 32.0771 174.4685 62 L 4.2915 7.2975 121.2189 54.8821 40.8139 181.1192 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 T 8.16 4.37 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 1.21 0.00 0.00 4 K 8.07 4.55 0.00 1.89 1.92 0.00 1.31 0.00 0.00 1.61 0.00 0.00 3.27 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.60 7.81 5 L 9.48 3.91 0.00 1.74 1.72 0.91 0.57 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 6 L 8.02 3.96 0.00 1.68 1.76 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.03 4.56 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.76 4.30 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.62 0.91 0.00 0.00 9 L 7.70 4.21 0.00 1.65 1.61 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.84 4.75 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 11 C 9.10 4.28 0.00 3.09 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 12 P 0.00 4.18 0.00 2.14 1.99 0.00 3.46 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.21 0.00 13 I 7.52 3.98 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.91 0.95 0.00 0.00 14 C 7.97 4.52 0.00 3.10 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 15 K 8.37 4.12 0.00 1.93 1.98 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.52 7.81 16 G 7.38 3.98 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 0.00 0.00 0.00 17 P 0.00 4.62 0.00 2.20 2.08 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 18 L 8.21 5.21 0.00 1.54 1.64 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.71 4.72 0.00 1.69 1.66 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.35 7.81 20 L 8.50 4.64 0.00 1.65 1.59 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.02 4.32 0.00 3.93 4.07 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 22 A 8.72 3.94 1.30 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 0.00 0.00 23 D 8.10 4.59 0.00 2.78 2.78 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 24 K 7.92 3.93 0.00 1.99 1.99 0.00 1.46 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.40 7.81 25 T 8.48 4.56 4.25 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 0.00 0.00 0.00 1.30 0.00 0.00 26 E 8.31 5.25 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 2.22 2.27 0.00 27 L 9.02 5.03 0.00 1.72 1.68 0.95 0.92 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 28 I 9.24 4.35 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.22 0.89 0.00 0.00 29 S 9.37 4.88 0.00 4.03 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.75 3.97 0.00 1.86 1.84 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.44 7.81 31 G 8.21 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 0.00 0.00 0.00 32 A 7.34 4.55 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 33 G 8.31 3.92 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 0.00 34 L 7.98 5.21 0.00 1.21 0.97 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.29 4.71 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 36 Y 8.56 4.66 0.00 2.97 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.72 0.00 2.14 2.19 0.00 4.04 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 38 I 8.57 4.86 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.67 0.92 0.00 0.00 39 R 8.47 4.60 0.00 1.84 1.76 0.00 3.28 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 40 D 9.82 4.48 0.00 2.77 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.49 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 0.00 0.00 0.00 42 I 7.73 4.53 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.92 0.90 0.00 0.00 43 P 0.00 4.68 0.00 2.06 2.08 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 44 V 8.82 3.93 2.25 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 0.80 0.00 0.00 1.01 0.00 0.00 *46 L 8.17 4.10 0.00 1.73 1.66 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 47 E 9.17 4.05 0.00 2.08 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 2.41 2.36 0.00 48 S 8.20 4.20 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 49 E 8.14 4.42 0.00 2.03 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 2.29 2.40 0.00 50 A 7.40 4.32 1.07 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 0.00 0.00 51 R 8.46 4.51 0.00 1.85 1.72 0.00 3.07 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 52 T 8.37 4.54 4.21 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 1.18 0.00 0.00 53 L 8.44 4.33 0.00 1.50 1.57 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 54 T 9.24 4.17 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 1.22 0.00 0.00 55 T 8.74 3.89 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 1.20 0.00 0.00 56 E 8.12 4.04 0.00 2.06 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 2.23 1.98 0.00 57 E 7.59 4.32 0.00 2.14 2.02 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 0.00 2.33 2.33 0.00 58 R 7.60 4.14 0.00 1.91 1.97 0.00 3.15 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 59 L 7.29 4.16 0.00 1.67 1.61 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.41 4.86 0.00 2.59 2.54 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 0.00 0.00 0.00 0.00 61 K 8.84 3.85 0.00 1.77 1.77 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.01 7.81 62 L 7.30 4.29 0.00 1.73 1.46 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.