NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4809 8.3344 116.8055 58.3448 64.8184 173.0054 8 D 4.8838 8.0013 120.0238 51.5061 43.1612 173.9075 9 F 5.5298 8.8376 117.6990 55.2673 42.0781 173.5635 10 V 4.6647 9.1994 112.4954 59.6273 35.3087 174.8031 11 V 4.7776 8.6596 124.4088 61.5159 33.6229 174.5537 12 I 4.9803 9.0265 128.5032 59.4920 40.7898 174.0336 13 K 5.0678 9.3135 129.1873 54.4508 34.6326 174.8217 14 A 4.6232 8.7718 129.8619 51.8849 19.2651 177.6317 15 L 4.6731 9.1439 122.7851 55.1335 42.7107 175.7923 16 E 4.7962 7.7908 115.5148 54.6081 33.1559 174.6286 17 D 4.6114 8.7325 119.3006 54.8837 41.5886 176.0801 18 G 3.8721 8.3774 106.8728 46.7368 0.0000 174.4155 19 V 3.9740 7.8490 119.2781 62.3139 33.2660 174.1407 20 N 5.2398 9.4103 126.0437 51.9232 41.1760 173.2833 21 V 4.5536 8.7803 127.7100 61.6031 33.0085 173.9590 22 I 4.5905 8.8584 130.3934 59.6313 39.1545 175.2234 23 G 4.3490 9.5805 116.2162 45.0795 0.0000 172.5582 24 L 5.5309 8.8427 124.3614 52.6920 45.2702 176.0643 *31 R 4.2512 8.3720 117.0105 55.5072 30.5073 175.4455 32 F 4.4144 7.9103 118.3084 59.0580 39.3172 175.5506 33 H 4.5493 8.5375 122.0788 55.8989 30.3993 170.9810 34 H 4.8564 9.0066 126.3981 54.2522 31.4471 172.9098 35 S 4.6804 8.4224 120.5953 57.1731 64.5024 173.3468 36 E 4.4325 8.3870 126.9660 55.5487 32.3394 174.8815 37 K 4.7522 8.6629 131.1659 54.9867 33.0024 172.8902 38 L 4.9836 9.0980 123.7884 52.5280 45.3581 175.5059 39 D 5.1865 10.2824 126.0228 52.5094 44.0410 176.5091 *40 K 3.8677 8.8633 122.8112 57.3711 31.5583 178.1967 41 G 4.0674 9.2367 114.2197 43.9444 0.0000 173.1117 42 E 4.3450 8.3327 119.9691 56.0435 31.0461 175.8442 43 V 4.9365 8.2566 121.4997 61.0413 34.4205 174.1928 44 L 4.6838 9.1394 129.8997 53.3392 44.7003 175.0152 45 I 4.8502 8.4690 126.7796 59.8624 38.4103 174.2665 46 A 4.6368 9.0395 130.2889 50.1817 20.8940 175.3584 47 Q 5.0101 8.4746 123.3214 54.2586 31.6292 174.8211 48 F 4.5116 8.7497 124.1781 57.5279 39.6701 175.8815 49 T 4.5817 8.4538 114.7393 59.8190 71.1886 174.2242 50 E 4.1515 8.7606 118.5736 59.8505 29.8350 177.7592 51 H 3.9910 8.4538 115.5574 57.8981 28.8126 174.8655 52 T 4.8079 7.5592 115.4590 61.8005 69.0082 174.1194 53 S 4.3837 9.0446 122.3925 60.3538 63.8266 174.5843 54 A 5.1566 7.9194 120.8644 49.7908 22.9196 174.7708 55 I 4.9633 8.5140 119.2200 59.4429 40.5802 174.7936 56 K 4.5928 9.2101 128.8001 54.5613 34.6977 174.8836 57 V 4.8138 8.3961 126.3497 61.2136 33.7636 174.2629 58 R 4.4687 9.1551 129.3636 54.8778 32.0899 174.6773 59 G 4.1319 8.6780 111.2511 43.2912 0.0000 172.6992 60 K 5.2179 9.1128 118.9082 54.9687 32.8610 176.5379 61 A 5.1174 8.7259 125.8387 50.5038 23.5747 173.6299 62 Y 4.9518 9.2319 121.3397 56.0949 40.9524 174.5470 63 I 4.9586 8.4345 127.5472 59.5157 40.7634 174.3184 64 Q 4.9938 9.0295 126.3480 54.2677 31.3473 174.9212 65 T 4.8586 8.5797 113.0710 59.2487 72.3868 174.6657 66 R 3.6436 8.5703 121.3755 59.7186 29.8028 176.3974 67 H 4.6762 7.6724 112.3306 55.5013 29.0780 174.3538 68 G 3.7435 8.0378 106.8533 44.1586 0.0000 173.3367 69 V 4.6008 7.7367 111.2543 60.4628 33.7862 175.4524 70 I 4.3483 8.0156 120.2740 60.1726 41.8898 172.4419 71 E 5.2344 8.7947 128.6184 54.4208 31.6669 174.9516 72 S 4.6039 9.0781 122.3964 57.4720 65.1998 173.1569 73 E 4.6813 8.9649 123.8906 54.8167 29.7953 176.3051 74 G 4.0521 8.4753 111.8949 45.6044 0.0000 171.2264 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 7 S 8.33 4.48 0.00 3.92 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 8 D 8.00 4.88 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.84 5.53 0.00 3.14 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 10 V 9.20 4.66 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 0.71 0.00 0.00 0.86 0.00 0.00 11 V 8.66 4.78 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.17 0.00 0.00 12 I 9.03 4.98 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.92 0.00 0.00 13 K 9.31 5.07 0.00 1.88 1.80 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.77 4.62 1.38 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 0.00 0.00 15 L 9.14 4.67 0.00 1.59 1.73 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.79 4.80 0.00 1.90 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 2.17 2.33 0.00 17 D 8.73 4.61 0.00 2.69 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 18 G 8.38 3.87 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 0.00 0.00 0.00 19 V 7.85 3.97 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 0.98 0.00 0.00 1.05 0.00 0.00 20 N 9.41 5.24 0.00 2.79 2.63 0.00 0.00 6.61 7.68 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 21 V 8.78 4.55 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 0.87 0.00 0.00 0.91 0.00 0.00 22 I 8.86 4.59 1.86 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 1.12 0.52 0.84 0.00 0.00 23 G 9.58 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.84 5.53 0.00 1.91 1.62 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 *31 R 8.37 4.25 0.00 1.64 1.79 0.00 3.01 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 32 F 7.91 4.41 0.00 2.94 2.94 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 33 H 8.54 4.55 0.00 3.24 3.24 0.00 5.88 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 9.01 4.86 0.00 3.28 3.16 0.00 5.82 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.42 4.68 0.00 3.80 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.39 4.43 0.00 1.98 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 37 K 8.66 4.75 0.00 1.58 1.57 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.64 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.36 1.04 7.81 38 L 9.10 4.98 0.00 1.50 1.54 0.92 0.91 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 39 D 10.28 5.19 0.00 2.75 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 *40 K 8.86 3.87 0.00 1.74 1.68 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.31 7.81 41 G 9.24 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 0.00 0.00 0.00 42 E 8.33 4.34 0.00 2.09 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 2.32 2.25 0.00 43 V 8.26 4.94 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.14 4.68 0.00 1.72 1.46 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.47 4.85 1.72 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.91 0.62 0.00 0.00 46 A 9.04 4.64 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.47 5.01 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 48 F 8.75 4.51 0.00 3.08 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 49 T 8.45 4.58 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 1.23 0.00 0.00 50 E 8.76 4.15 0.00 2.09 2.14 0.00 0.00 0.00 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 2.32 0.00 51 H 8.45 3.99 0.00 3.12 3.44 0.00 5.85 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.56 4.81 4.35 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 0.00 0.00 0.00 1.37 0.00 0.00 53 S 9.04 4.38 0.00 4.09 4.12 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 54 A 7.92 5.16 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 55 I 8.51 4.96 1.83 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.61 0.85 0.00 0.00 56 K 9.21 4.59 0.00 1.80 1.64 0.00 1.58 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 1.34 1.36 7.81 57 V 8.40 4.81 2.08 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 0.84 0.00 0.00 0.92 0.00 0.00 58 R 9.16 4.47 0.00 1.91 1.75 0.00 3.13 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 59 G 8.68 4.13 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 0.00 60 K 9.11 5.22 0.00 1.78 1.79 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.42 7.81 61 A 8.73 5.12 1.24 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 0.00 0.00 0.00 62 Y 9.23 4.95 0.00 2.98 2.85 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 0.00 0.00 0.00 0.00 63 I 8.43 4.96 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 1.20 0.55 0.90 0.00 0.00 64 Q 9.03 4.99 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 65 T 8.58 4.86 4.13 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 1.17 0.00 0.00 66 R 8.57 3.64 0.00 1.59 1.79 0.00 3.19 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 67 H 7.67 4.68 0.00 3.20 3.25 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.04 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 4.60 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.98 0.00 0.00 70 I 8.02 4.35 1.83 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 1.10 1.25 0.86 0.00 0.00 71 E 8.79 5.23 0.00 2.10 1.85 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 0.00 2.24 2.38 0.00 72 S 9.08 4.60 0.00 3.93 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 73 E 8.96 4.68 0.00 1.86 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 2.30 0.00 74 G 8.48 4.05 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.