NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.8647 8.4444 116.3554 54.8388 30.5585 172.9937 6 F 4.5406 6.9224 120.3012 55.1877 42.1522 172.0607 7 F 4.2217 7.2283 128.3016 56.0763 43.0367 173.4034 8 E 3.9555 7.2289 128.7574 54.5790 28.4833 175.8362 9 G 3.7319 8.2601 116.2597 48.0969 0.0000 172.8929 10 T 3.7863 7.8272 116.5103 64.1453 68.6597 173.7781 11 E 4.4118 8.5506 125.7254 55.2812 30.9968 175.5533 12 K 4.5355 8.3554 119.2251 54.5093 34.2074 175.6458 13 L 4.6827 8.4922 125.3620 52.8283 44.2553 174.9157 14 L 4.7060 8.4594 126.8761 53.0338 44.3795 174.8975 15 E 4.5767 8.7306 125.7223 54.2736 32.2440 174.5910 16 V 4.3399 8.1829 124.7129 60.7130 34.4786 174.0830 17 W 4.5489 8.7550 126.4141 55.0011 30.7434 175.6699 18 F 4.8936 8.7710 122.1951 56.5664 40.9351 176.8784 19 S 4.6964 8.3148 114.1468 57.4631 63.2833 173.5186 *28 G 3.7093 7.7402 113.0510 46.1915 0.0000 170.9035 29 S 4.2757 8.6782 116.7553 58.1006 63.9126 175.1416 30 G 3.8804 8.7007 107.8991 45.8029 0.0000 172.6570 31 D 4.5933 7.9124 118.9378 52.3151 44.1384 176.2373 32 L 4.0762 8.7116 127.0712 57.7670 41.8399 178.9132 33 R 4.4256 8.2455 115.5535 57.6395 29.9873 177.5842 34 T 4.1054 7.7924 115.3344 65.5701 68.8140 175.3609 35 I 3.5410 7.3912 122.6633 60.4141 37.3873 174.3450 36 P 4.3963 0.0000 0.0000 62.1958 32.1358 177.2186 37 R 4.2275 8.9462 121.7237 60.0030 30.0019 179.0270 38 S 4.1447 8.1005 113.3118 61.6047 62.8689 176.2639 39 E 3.9088 8.0038 122.1374 58.7820 29.0449 179.2749 40 W 4.4292 7.7422 118.6667 59.8324 29.0816 178.0497 41 D 4.4218 8.4870 119.0355 57.4147 40.2677 179.0131 42 I 3.6871 7.6615 119.7340 64.2663 36.9407 178.0785 43 L 3.9722 7.7783 119.6995 58.3868 42.2113 178.8032 44 L 4.1670 8.2814 118.9821 57.6382 41.5051 179.3266 45 K 4.1652 8.3370 121.2743 59.0145 31.9281 178.2442 46 D 4.5809 8.1087 117.5062 55.8880 40.6670 177.1896 47 V 4.3419 7.3796 112.4865 60.7414 32.9548 175.7669 48 Q 3.4340 8.1235 115.5486 56.8035 26.7010 172.6898 49 C 4.8633 7.3273 116.2620 58.1908 35.5893 171.8922 50 S 4.8756 8.2106 116.6712 56.9965 66.4814 173.0705 51 I 4.2885 8.3435 122.2029 61.5399 37.0529 175.8014 52 I 4.3013 9.1326 127.8356 62.7930 38.7272 176.0233 53 S 4.6842 7.6976 114.0920 57.0178 65.8797 173.2445 54 V 4.5770 8.1632 123.8176 61.4004 34.5144 174.6911 55 T 4.6686 8.6783 123.1856 61.7636 72.6497 173.0014 56 K 5.0689 8.6665 124.3002 54.8265 35.7557 175.3112 57 T 4.7143 8.4667 113.1042 59.4940 71.8327 173.6797 58 D 4.4904 8.6582 120.2599 57.3668 40.8970 178.2888 59 K 4.2250 7.9996 117.3174 58.5471 32.7261 176.5033 60 Q 4.5943 7.8508 114.5103 55.0390 31.5368 172.4419 61 E 4.9965 8.6053 117.5944 54.4557 32.0864 175.3211 62 A 4.8137 9.0284 125.9841 50.2682 21.8890 174.7757 63 Y 4.9936 8.5658 118.7690 56.1063 41.3914 175.0885 64 V 4.2291 8.7356 124.4306 61.6093 33.0768 175.1398 65 L 5.0988 8.4523 127.8629 52.9736 43.7227 176.7994 66 S 4.3659 8.6243 115.1476 59.1496 62.3372 174.3591 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 5 H 8.44 4.86 0.00 3.35 3.56 0.00 5.72 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 6.92 4.54 0.00 3.02 2.82 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 7 F 7.23 4.22 0.00 2.74 2.61 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 0.00 0.00 0.00 0.00 8 E 7.23 3.96 0.00 1.88 1.51 0.00 0.00 0.00 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 2.26 0.00 9 G 8.26 3.73 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 0.00 0.00 0.00 10 T 7.83 3.79 4.32 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 1.21 0.00 0.00 11 E 8.55 4.41 0.00 1.93 1.88 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 2.29 2.54 0.00 12 K 8.36 4.54 0.00 1.70 1.70 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.36 7.81 13 L 8.49 4.68 0.00 1.54 1.52 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.46 4.71 0.00 1.57 1.49 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.73 4.58 0.00 1.92 1.81 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 2.26 2.16 0.00 16 V 8.18 4.34 1.82 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 0.17 0.00 0.00 0.86 0.00 0.00 17 W 8.75 4.55 0.00 3.19 3.14 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 18 F 8.77 4.89 0.00 3.08 3.03 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 19 S 8.31 4.70 0.00 4.00 3.93 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 *28 G 7.74 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 0.00 0.00 0.00 29 S 8.68 4.28 0.00 3.98 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 30 G 8.70 3.88 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 0.00 0.00 0.00 31 D 7.91 4.59 0.00 2.65 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 4.08 0.00 1.82 1.86 1.08 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.25 4.43 0.00 2.00 2.05 0.00 3.19 0.00 0.00 3.25 7.25 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 7.79 4.11 4.33 0.00 0.00 0.00 0.00 0.00 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 7.39 3.54 1.65 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.41 -0.34 0.00 0.00 36 P 0.00 4.40 0.00 2.07 1.93 0.00 3.37 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 37 R 8.95 4.23 0.00 2.09 2.04 0.00 3.46 0.00 0.00 3.64 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.99 0.00 38 S 8.10 4.14 0.00 4.08 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 39 E 8.00 3.91 0.00 1.74 1.67 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 2.17 2.26 0.00 40 W 7.74 4.43 0.00 3.45 2.92 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 41 D 8.49 4.42 0.00 2.90 2.76 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 42 I 7.66 3.69 1.99 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 0.87 0.94 0.00 0.00 43 L 7.78 3.97 0.00 1.76 2.02 1.05 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.28 4.17 0.00 1.95 1.94 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.34 4.17 0.00 2.09 1.94 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.40 7.81 46 D 8.11 4.58 0.00 2.89 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 7.38 4.34 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 0.73 0.00 0.00 1.05 0.00 0.00 48 Q 8.12 3.43 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 49 C 7.33 4.86 0.00 2.91 2.86 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 50 S 8.21 4.88 0.00 3.90 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 51 I 8.34 4.29 1.96 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 1.37 0.54 1.14 0.00 0.00 52 I 9.13 4.30 2.04 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 1.12 0.55 0.91 0.00 0.00 53 S 7.70 4.68 0.00 3.84 3.61 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 0.00 0.00 0.00 0.00 54 V 8.16 4.58 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 0.31 0.00 0.00 0.93 0.00 0.00 55 T 8.68 4.67 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 1.15 0.00 0.00 56 K 8.67 5.07 0.00 1.53 1.61 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.18 1.26 7.81 57 T 8.47 4.71 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 1.18 0.00 0.00 58 D 8.66 4.49 0.00 2.69 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 59 K 8.00 4.23 0.00 1.75 1.87 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.43 7.81 60 Q 7.85 4.59 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 61 E 8.61 5.00 0.00 1.91 1.64 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 2.16 2.28 0.00 62 A 9.03 4.81 1.12 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 0.00 0.00 63 Y 8.57 4.99 0.00 2.63 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 64 V 8.74 4.23 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 0.95 0.00 0.00 0.92 0.00 0.00 65 L 8.45 5.10 0.00 1.57 1.58 0.88 0.91 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 66 S 8.62 4.37 0.00 3.85 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 * Residues marked with a * may have inaccurate shift predictions.