NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4315 8.3231 115.4167 57.5694 65.3918 173.2026 3 G 3.8193 7.9155 111.1233 43.1215 0.0000 170.4931 4 P 4.4972 0.0000 0.0000 62.4680 33.4960 173.9280 5 N 5.5839 8.5825 120.5311 52.6004 39.8819 173.9159 6 Y 4.8347 8.6210 117.8791 56.5295 42.8870 174.4601 7 V 4.7912 8.3694 120.9660 60.4670 35.1691 173.7659 *9 H 4.7290 8.5368 116.5259 56.1097 29.9674 173.8943 10 T 4.9271 8.6837 114.6780 60.9789 70.4832 174.4586 11 N 4.7904 9.0014 117.7497 53.0179 39.1131 175.8773 12 D 4.8461 7.8357 118.4447 52.8741 40.1111 175.8587 13 G 3.8560 8.2983 104.2701 47.9697 0.0000 174.3185 14 R 4.7487 7.8799 115.7542 54.1111 35.0988 175.9469 15 S 4.7070 8.6695 117.0622 57.0490 65.2955 173.3221 16 I 4.3743 8.0728 126.2329 59.4619 39.1483 175.0944 17 V 4.3390 8.3902 127.3229 62.2453 32.6974 174.8272 18 T 4.9150 9.0879 122.1701 60.5020 70.9250 172.5088 19 D 4.6078 9.4077 126.9276 55.1222 41.0906 176.7079 20 G 4.2977 8.9142 110.6414 44.3620 0.0000 170.8784 21 K 3.3761 8.1243 120.1048 54.8003 32.5836 174.9300 22 P 4.7870 0.0000 0.0000 63.1440 32.3293 175.2887 23 Q 4.6252 8.8012 118.0287 54.9986 32.3884 173.9275 24 T 4.2122 8.3925 117.7535 63.5431 69.3622 173.8409 25 D 4.4272 8.7551 126.3942 53.9748 41.8327 176.6216 26 N 4.3860 8.8702 124.3545 56.2751 38.9621 175.9688 27 D 4.5650 8.4971 117.5308 56.2436 41.3630 177.4348 28 T 4.2293 8.2623 106.5753 60.9515 70.8540 173.9967 29 G 3.4451 7.8134 109.0530 45.5435 0.0000 173.9402 *31 I 4.1565 7.2187 117.9242 61.2429 39.4049 176.8353 32 S 5.2771 9.2523 123.0445 57.6735 65.3289 172.8129 33 Y 5.0822 8.5594 119.1704 56.4555 42.0920 172.9305 34 K 4.9433 8.3109 118.6597 54.4288 34.8887 177.0211 35 D 4.9281 8.8637 125.1725 52.5672 40.4696 176.6921 36 A 4.1267 8.6126 121.0564 54.4992 18.2593 177.8426 37 N 4.7547 8.3564 111.7422 52.6305 38.9296 175.7888 38 G 3.9177 8.3185 105.8770 45.6966 0.0000 173.4973 39 N 4.7352 8.4143 118.4403 51.8342 40.0400 174.9719 40 K 4.4201 8.5389 123.3302 56.8239 32.9018 176.2466 41 Q 4.4816 9.0032 122.2264 54.4035 33.7799 173.7778 42 Q 5.0586 8.3643 118.2807 54.4038 32.5169 174.6810 43 I 4.7529 8.9007 123.0667 58.8872 41.5988 174.4397 44 N 4.4508 8.7811 127.0316 53.3256 39.6526 175.6938 45 R 3.8887 8.7650 125.4379 59.7305 30.4028 178.4404 46 T 3.8392 8.3708 114.2057 66.2560 68.6525 174.2467 47 D 4.5142 8.3188 119.2878 54.0260 41.4307 175.2569 48 V 4.4571 7.7167 118.9461 61.6961 32.1281 175.1259 49 K 4.1340 8.8463 130.3256 59.1138 32.4541 175.7628 50 E 4.7272 7.5182 113.4025 55.8148 32.0495 175.0856 *52 V 3.9633 8.1395 117.3907 62.4006 33.0402 175.0234 53 A 3.9071 7.9606 123.6641 50.8215 22.0125 178.7533 54 L 4.8365 8.0676 116.5699 56.0734 43.4865 177.0289 55 E 3.7534 7.6458 115.7073 59.7923 29.4632 177.5921 56 N 4.5231 7.8673 120.0532 52.7454 40.1078 175.1649 57 L 4.4555 7.1838 117.8259 54.8667 41.6299 176.5543 58 E 3.5762 9.3152 121.4781 56.5391 27.0180 173.8824 59 H 4.2762 8.2614 123.9026 56.7620 30.8821 174.2711 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 S 8.32 4.43 0.00 4.01 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 3 G 7.92 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 0.00 0.00 0.00 4 P 0.00 4.50 0.00 2.23 1.98 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 5 N 8.58 5.58 0.00 2.61 2.81 0.00 0.00 7.05 7.46 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 6 Y 8.62 4.83 0.00 2.85 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 7 V 8.37 4.79 2.10 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 0.90 0.00 0.00 0.92 0.00 0.00 *9 H 8.54 4.73 0.00 3.21 3.29 0.00 5.85 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.68 4.93 4.34 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 1.17 0.00 0.00 11 N 9.00 4.79 0.00 2.81 2.89 0.00 0.00 6.83 7.65 0.00 0.00 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 D 7.84 4.85 0.00 2.75 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.30 3.86 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 0.00 0.00 0.00 14 R 7.88 4.75 0.00 1.74 1.76 0.00 3.08 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 15 S 8.67 4.71 0.00 3.67 3.68 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 0.00 0.00 0.00 0.00 16 I 8.07 4.37 1.67 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 1.21 0.76 0.84 0.00 0.00 17 V 8.39 4.34 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 18 T 9.09 4.92 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 1.46 0.00 0.00 19 D 9.41 4.61 0.00 2.84 2.64 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 20 G 8.91 4.30 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 0.00 21 K 8.12 3.38 0.00 1.56 1.59 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.70 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.07 0.46 7.81 22 P 0.00 4.79 0.00 1.84 1.95 0.00 3.18 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.02 0.00 23 Q 8.80 4.63 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 24 T 8.39 4.21 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 1.21 0.00 0.00 25 D 8.76 4.43 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.87 4.39 0.00 2.75 2.87 0.00 0.00 7.13 8.06 0.00 0.00 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 D 8.50 4.57 0.00 2.83 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.26 4.23 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 1.24 0.00 0.00 29 G 7.81 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.22 4.16 2.06 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 1.40 0.71 0.93 0.00 0.00 32 S 9.25 5.28 0.00 3.82 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 33 Y 8.56 5.08 0.00 2.98 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 34 K 8.31 4.94 0.00 2.05 1.74 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.34 7.81 35 D 8.86 4.93 0.00 2.97 2.95 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 36 A 8.61 4.13 1.34 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 0.00 0.00 37 N 8.36 4.75 0.00 2.85 2.82 0.00 0.00 6.99 7.65 0.00 0.00 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 G 8.32 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 39 N 8.41 4.74 0.00 2.97 2.69 0.00 0.00 7.00 8.82 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 40 K 8.54 4.42 0.00 1.56 1.65 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 41 Q 9.00 4.48 0.00 0.93 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 42 Q 8.36 5.06 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 43 I 8.90 4.75 2.09 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 1.14 0.93 0.95 0.00 0.00 44 N 8.78 4.45 0.00 2.78 2.69 0.00 0.00 6.79 7.65 0.00 0.00 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 R 8.77 3.89 0.00 1.88 1.92 0.00 3.24 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 46 T 8.37 3.84 4.30 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 1.21 0.00 0.00 47 D 8.32 4.51 0.00 2.75 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 48 V 7.72 4.46 2.15 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 0.77 0.00 0.00 0.89 0.00 0.00 49 K 8.85 4.13 0.00 1.76 1.95 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.37 7.81 50 E 7.52 4.73 0.00 1.96 1.90 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 2.13 2.23 0.00 *52 V 8.14 3.96 2.10 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 0.92 0.00 0.00 0.90 0.00 0.00 53 A 7.96 3.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.07 4.84 0.00 1.55 1.61 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.65 3.75 0.00 2.02 1.93 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 2.19 2.32 0.00 56 N 7.87 4.52 0.00 2.71 2.89 0.00 0.00 6.78 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.18 4.46 0.00 1.84 1.76 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 58 E 9.32 3.58 0.00 2.13 2.09 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 2.18 2.21 0.00 59 H 8.26 4.28 0.00 3.27 3.20 0.00 5.76 0.00 0.00 0.00 0.00 6.91 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.