NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3458 8.2644 123.5908 51.7776 18.7572 175.6967 5 H 4.1916 8.5734 120.8905 56.2041 30.5552 173.6961 6 F 4.8132 8.3868 127.1864 56.6671 43.2793 172.6022 7 F 4.1445 7.2389 128.2086 55.9597 41.7904 173.7795 8 E 3.8729 7.5213 129.1310 54.8756 28.6193 176.0721 9 G 3.7996 8.3561 116.5067 48.1247 0.0000 173.1322 10 T 3.8546 7.8469 116.6348 64.0869 68.7920 173.2823 11 E 4.6028 8.5617 125.3414 54.7148 31.5840 175.2801 12 K 4.4776 8.3465 120.6603 54.7043 33.6095 175.8358 13 L 4.6930 8.4181 125.1398 52.8572 44.3725 174.9699 14 L 4.6812 8.4723 126.7401 53.0411 44.3767 174.8663 15 E 4.5727 8.7984 125.9230 54.2406 32.0259 174.6357 16 V 4.3476 8.2494 124.9605 60.6459 34.3675 174.1701 17 W 4.5572 8.6763 126.2669 54.9378 30.9971 175.4646 18 F 4.8576 8.6943 121.5724 56.5545 40.5788 174.4455 19 S 4.7360 8.3349 116.7064 58.3306 66.8762 173.3941 20 R 4.7509 8.1352 120.1687 54.6576 32.5294 174.9008 *28 G 3.7593 8.2960 107.3508 46.2379 0.0000 172.9763 29 S 4.1396 8.3844 113.8876 59.3373 63.0538 176.4800 30 G 3.8115 8.6892 106.6395 45.7024 0.0000 172.5940 31 D 4.6076 7.5432 116.9866 52.2116 43.9250 176.2730 32 L 4.0821 8.6886 127.0804 57.7561 41.8548 179.1276 33 R 4.3611 8.3657 116.2629 58.1118 30.0585 177.8126 34 T 4.0447 7.7636 114.8065 65.7379 68.7093 175.1250 35 I 3.5499 7.4814 123.2101 60.2880 37.3705 174.3576 36 P 4.4571 0.0000 0.0000 62.1452 32.2204 177.0712 37 R 4.1505 8.8759 119.6184 60.1651 29.8822 178.6512 38 S 4.1274 8.1741 114.1135 62.0032 62.7393 176.6143 39 E 3.8819 7.8915 120.4353 59.0592 29.0394 179.4462 40 W 4.4863 7.7475 118.5931 59.8442 28.9233 178.1258 41 D 4.4074 8.2872 118.2789 57.4597 40.4372 178.6349 42 I 3.8736 7.7325 120.1227 64.1640 36.7264 178.2203 43 L 4.0057 8.1801 121.3680 58.2942 42.1493 179.0753 44 L 4.1037 8.3433 118.5904 56.9657 41.2319 179.2581 45 K 3.9528 7.4647 119.7228 59.7302 32.1976 178.2194 46 D 4.4893 7.6709 117.5691 57.0785 40.7968 178.4456 47 V 3.6952 7.6171 117.1031 63.2489 32.7892 174.8094 48 Q 3.5600 8.4904 115.2660 55.4872 25.2561 171.2777 49 C 4.7940 7.4285 110.4903 58.2068 32.3724 172.7702 50 S 4.6813 8.0032 113.4710 57.1117 66.4811 173.4482 51 I 4.6330 8.3420 121.7392 61.4544 36.9909 176.1856 52 I 4.5635 8.7256 118.7539 60.9892 39.4984 175.6993 53 S 4.7337 7.7502 117.6265 57.4630 67.4001 173.4210 54 V 4.5700 8.1926 122.2805 61.5012 34.5927 174.5736 55 T 4.6076 8.7350 123.6021 61.7346 72.3829 172.8895 56 K 5.0640 8.7317 125.2858 54.7192 35.0144 175.4079 57 T 4.6790 8.4440 113.4736 59.2745 71.7834 173.7493 58 D 4.4901 8.7276 120.7616 57.0950 40.8160 178.2042 59 K 4.3385 7.8871 116.5550 57.5813 33.1509 176.2450 60 Q 4.6147 7.8345 114.8776 54.7466 31.4685 172.5024 61 E 5.0022 8.6027 116.6380 54.4506 31.9449 174.8698 62 A 4.8381 8.8274 124.9665 50.2598 22.0285 174.6113 63 Y 5.0630 8.6044 118.2283 56.1284 41.5833 175.0444 64 V 4.4068 8.6701 123.0306 61.3397 33.7324 174.6552 65 L 5.4036 8.4973 126.1111 53.2872 45.3535 175.5834 66 S 4.7374 8.6799 114.9825 56.9998 67.8492 174.6788 67 E 4.2110 8.7495 120.3718 56.8090 29.4304 176.7000 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 4 A 8.26 4.35 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.57 4.19 0.00 3.24 3.29 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.39 4.81 0.00 2.94 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 7 F 7.24 4.14 0.00 2.75 2.62 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 0.00 0.00 0.00 0.00 8 E 7.52 3.87 0.00 1.89 1.52 0.00 0.00 0.00 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 9 G 8.36 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.85 3.85 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 11 E 8.56 4.60 0.00 1.95 1.86 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 2.26 2.52 0.00 12 K 8.35 4.48 0.00 1.73 1.73 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.38 7.81 13 L 8.42 4.69 0.00 1.54 1.51 0.92 0.93 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 14 L 8.47 4.68 0.00 1.57 1.49 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.80 4.57 0.00 1.94 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 2.30 2.23 0.00 16 V 8.25 4.35 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 0.04 0.00 0.00 0.88 0.00 0.00 17 W 8.68 4.56 0.00 3.17 3.12 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 18 F 8.69 4.86 0.00 3.07 3.04 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 0.00 0.00 0.00 0.00 19 S 8.33 4.74 0.00 3.90 3.81 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 20 R 8.14 4.75 0.00 1.77 1.88 0.00 3.34 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 *28 G 8.30 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.38 4.14 0.00 3.88 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 30 G 8.69 3.81 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 0.00 0.00 0.00 31 D 7.54 4.61 0.00 2.61 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.69 4.08 0.00 1.82 1.86 1.06 0.65 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 33 R 8.37 4.36 0.00 1.98 2.06 0.00 3.19 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 34 T 7.76 4.04 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 1.18 0.00 0.00 35 I 7.48 3.55 1.68 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.37 -0.34 0.00 0.00 36 P 0.00 4.46 0.00 2.16 2.13 0.00 3.48 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 37 R 8.88 4.15 0.00 2.10 2.07 0.00 3.45 0.00 0.00 3.57 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.07 0.00 38 S 8.17 4.13 0.00 3.86 3.89 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 39 E 7.89 3.88 0.00 1.64 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 40 W 7.75 4.49 0.00 3.42 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 41 D 8.29 4.41 0.00 2.85 2.77 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 0.00 0.00 0.00 42 I 7.73 3.87 1.98 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 1.40 0.83 0.90 0.00 0.00 43 L 8.18 4.01 0.00 1.85 2.02 1.15 0.91 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 44 L 8.34 4.10 0.00 1.75 1.93 0.85 0.78 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 45 K 7.46 3.95 0.00 2.00 1.88 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.50 7.81 46 D 7.67 4.49 0.00 2.80 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 47 V 7.62 3.70 2.23 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 0.87 0.00 0.00 0.95 0.00 0.00 48 Q 8.49 3.56 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 49 C 7.43 4.79 0.00 3.24 2.88 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 50 S 8.00 4.68 0.00 3.94 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 51 I 8.34 4.63 1.96 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 1.16 0.00 0.00 52 I 8.73 4.56 1.88 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 1.34 0.71 0.92 0.00 0.00 53 S 7.75 4.73 0.00 3.75 3.71 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 54 V 8.19 4.57 1.96 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 0.28 0.00 0.00 0.99 0.00 0.00 55 T 8.73 4.61 4.14 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 0.00 0.00 1.15 0.00 0.00 56 K 8.73 5.06 0.00 1.54 1.63 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.19 1.27 7.81 57 T 8.44 4.68 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 1.18 0.00 0.00 58 D 8.73 4.49 0.00 2.69 2.79 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 59 K 7.89 4.34 0.00 1.74 1.87 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 60 Q 7.83 4.61 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 61 E 8.60 5.00 0.00 1.67 1.86 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 2.20 2.41 0.00 62 A 8.83 4.84 1.14 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 0.00 0.00 0.00 0.00 0.00 63 Y 8.60 5.06 0.00 2.65 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 64 V 8.67 4.41 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 1.05 0.00 0.00 0.92 0.00 0.00 65 L 8.50 5.40 0.00 1.54 1.63 0.88 0.80 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 66 S 8.68 4.74 0.00 3.74 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 67 E 8.75 4.21 0.00 2.07 1.95 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 2.37 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.