NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.6426 8.3377 123.8661 55.4359 33.3234 175.3241 3 M 4.8399 8.6768 123.9568 52.3368 35.2481 171.2829 4 I 4.8152 8.5703 119.6460 59.5509 40.7230 175.8465 5 K 4.6422 8.4112 128.0927 54.4641 34.5669 177.0614 6 V 4.8150 8.5521 127.0157 59.8340 33.5649 172.7476 7 K 4.7625 8.9911 129.4405 53.7434 36.5409 174.7900 8 V 4.3689 8.4497 123.1397 60.5730 33.8360 176.3961 9 I 3.6876 8.4949 120.3452 61.1704 35.2237 176.4353 10 G 3.9405 8.7328 118.7818 46.6519 0.0000 174.5535 11 R 4.2072 8.4232 120.7260 55.9904 31.4836 178.3787 12 N 4.1715 8.3988 113.2063 54.1656 33.3843 180.9080 13 I 4.3791 7.4699 119.4404 58.8317 37.2204 176.6049 14 E 4.6559 8.5592 124.7588 54.0650 31.2223 175.6904 15 K 4.4890 8.5591 127.6556 52.6668 33.3756 172.8205 16 E 4.0723 8.3121 123.7096 55.6149 30.9280 176.6143 17 I 4.7989 7.8752 117.9689 59.4807 40.3828 177.3072 18 E 4.8154 8.5802 130.3382 55.2639 31.0842 176.2661 *19 W 3.8143 8.3034 124.8331 60.6419 32.1219 172.8706 20 R 4.8063 9.7326 119.0846 57.5901 31.5604 174.4344 21 E 5.6904 9.7274 123.2192 57.7396 33.1138 178.7819 22 G 4.1513 8.9755 116.3077 45.9258 0.0000 174.7340 23 M 4.3099 7.8022 118.2662 56.5165 31.9676 180.1256 24 K 4.4590 8.6901 117.2899 57.4187 36.4284 172.5367 25 V 3.7876 8.0059 127.3653 66.8061 31.7092 177.9010 26 R 4.1252 7.9320 122.3791 62.3837 29.0014 180.6509 27 D 4.8624 8.2193 121.6597 59.4440 39.6873 181.7045 28 I 3.9597 7.8627 123.5966 65.8078 35.7661 180.7943 29 L 4.4198 8.5756 126.6724 60.0645 40.8975 181.9976 30 R 4.2997 8.8790 122.2215 60.2262 29.0420 180.0490 31 A 4.5049 8.1421 120.5335 55.0975 17.5373 179.0038 32 V 4.1757 7.9366 114.7921 60.2111 32.2128 182.3427 33 G 3.9708 8.5654 109.0014 47.5470 0.0000 175.6050 *34 F 4.4489 7.5435 121.1488 56.0150 40.0753 178.9779 35 N 4.6266 8.6626 132.0695 52.5663 37.5764 173.7742 36 T 3.4308 7.7540 110.3542 63.0408 65.7206 174.3949 37 E 4.3975 8.1416 121.9653 57.9618 32.1131 179.9782 38 S 4.6751 8.5219 116.6989 55.3553 61.7022 174.9944 39 A 4.7026 7.1244 130.2358 52.3610 20.4572 177.8696 40 I 4.2965 7.6757 120.5935 58.8454 36.0408 176.6072 41 A 4.1361 8.6300 133.0816 52.4438 19.2076 176.9023 42 K 5.0148 8.5976 126.7731 54.7060 35.9681 173.8686 43 V 4.4354 8.9405 123.2410 59.9486 35.3252 174.6123 44 N 4.3388 9.7777 116.1602 53.3118 34.7828 176.3255 45 G 3.9822 8.5366 108.5295 46.8998 0.0000 175.0999 46 K 4.4825 8.4728 124.7988 53.6623 33.3776 182.2777 47 V 4.5797 8.1573 123.6602 61.2515 33.3244 174.9990 48 V 4.5306 8.4767 121.9294 61.7542 36.3100 175.1540 49 L 4.6712 8.3867 122.0140 55.2532 42.9423 175.2150 50 E 3.9707 8.9629 115.0775 60.4987 29.6917 178.0523 51 D 4.7658 8.0413 116.0921 53.9514 40.1933 181.2192 52 D 4.5851 8.3282 121.6813 53.7529 38.6455 181.3123 53 E 4.1198 8.4675 123.9865 55.6755 30.5889 175.3929 54 V 4.7359 8.1295 117.4463 60.2478 36.4388 177.3598 55 K 4.1801 8.3427 122.9123 56.4758 34.0478 178.6044 56 D 4.4064 9.8270 114.4155 55.7245 37.5532 170.9992 57 G 3.9349 8.0251 111.4799 47.8386 0.0000 174.7995 58 D 4.5907 7.6465 122.2333 53.9383 41.7632 178.5196 *59 F 4.7777 8.3192 124.6124 58.1609 38.5171 179.3048 60 V 4.4486 9.0776 119.8576 62.9251 34.4778 170.5004 61 E 5.3041 8.6279 127.1190 55.2860 30.7530 175.5608 62 V 4.3464 8.9335 126.2869 61.7608 34.6537 171.4321 63 I 4.3567 8.0290 130.0903 57.6603 38.7913 167.9638 64 P 4.3837 0.0000 0.0000 63.0759 30.0117 176.9381 65 V 4.2489 7.9355 125.6753 61.1033 32.3000 177.3855 66 V 4.1870 7.5756 120.6237 61.3640 32.9418 178.7096 67 S 4.5510 7.7564 110.2195 58.8160 65.2454 175.6642 68 G 4.0046 8.9041 114.0476 43.3134 0.0000 173.4820 69 G 3.7222 8.4692 114.0544 45.0824 0.0000 171.7972 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 K 8.34 4.64 0.00 1.56 1.68 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 0.87 7.81 3 M 8.68 4.84 0.00 1.82 1.81 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.18 0.00 4 I 8.57 4.82 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 1.20 1.23 0.91 0.00 0.00 5 K 8.41 4.64 0.00 1.54 1.68 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.26 1.22 7.81 6 V 8.55 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 0.86 0.00 0.00 0.93 0.00 0.00 7 K 8.99 4.76 0.00 1.37 1.62 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.27 1.26 7.81 8 V 8.45 4.37 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 0.66 0.00 0.00 0.93 0.00 0.00 9 I 8.49 3.69 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 1.35 1.09 0.91 0.00 0.00 10 G 8.73 3.94 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 0.00 0.00 0.00 11 R 8.42 4.21 0.00 1.82 1.84 0.00 3.32 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 12 N 8.40 4.17 0.00 2.93 2.86 0.00 0.00 6.32 7.72 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 13 I 7.47 4.38 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 1.27 1.25 0.91 0.00 0.00 14 E 8.56 4.66 0.00 1.97 1.75 0.00 0.00 0.00 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 1.85 0.00 15 K 8.56 4.49 0.00 1.71 1.59 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.26 1.00 7.81 16 E 8.31 4.07 0.00 1.98 1.80 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 2.24 1.93 0.00 17 I 7.88 4.80 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 1.27 1.05 0.91 0.00 0.00 18 E 8.58 4.82 0.00 1.75 1.35 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 2.23 1.88 0.00 *19 W 8.30 3.81 0.00 2.12 2.13 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 20 R 9.73 4.81 0.00 1.52 1.53 0.00 3.38 0.00 0.00 3.26 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.19 0.00 21 E 9.73 5.69 0.00 2.09 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 2.00 1.60 0.00 22 G 8.98 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 M 7.80 4.31 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.11 0.00 24 K 8.69 4.46 0.00 1.69 1.62 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.23 0.94 7.81 25 V 8.01 3.79 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 0.74 0.00 0.00 0.93 0.00 0.00 26 R 7.93 4.13 0.00 1.85 1.93 0.00 3.28 0.00 0.00 3.20 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 27 D 8.22 4.86 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.86 3.96 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 1.38 1.09 0.91 0.00 0.00 29 L 8.58 4.42 0.00 1.59 1.70 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.88 4.30 0.00 1.72 1.97 0.00 3.23 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 31 A 8.14 4.50 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.94 4.18 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 0.75 0.00 0.00 0.93 0.00 0.00 33 G 8.57 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.54 4.45 0.00 2.43 2.06 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 0.00 0.00 0.00 0.00 35 N 8.66 4.63 0.00 2.74 2.70 0.00 0.00 6.80 7.71 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 36 T 7.75 3.43 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 37 E 8.14 4.40 0.00 1.97 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 2.15 1.85 0.00 38 S 8.52 4.68 0.00 3.64 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 39 A 7.12 4.70 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.68 4.30 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 1.28 0.78 0.91 0.00 0.00 41 A 8.63 4.14 1.26 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 0.00 0.00 0.00 42 K 8.60 5.01 0.00 1.50 1.52 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 1.01 7.81 43 V 8.94 4.44 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 0.68 0.00 0.00 0.93 0.00 0.00 44 N 9.78 4.34 0.00 2.86 2.76 0.00 0.00 6.76 7.51 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 45 G 8.54 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 46 K 8.47 4.48 0.00 1.65 1.68 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.23 7.81 47 V 8.16 4.58 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 0.85 0.00 0.00 0.93 0.00 0.00 48 V 8.48 4.53 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 0.78 0.00 0.00 0.93 0.00 0.00 49 L 8.39 4.67 0.00 1.32 1.57 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.96 3.97 0.00 1.89 1.99 0.00 0.00 0.00 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 1.88 0.00 51 D 8.04 4.77 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.33 4.59 0.00 2.66 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 53 E 8.47 4.12 0.00 1.97 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 0.00 2.25 1.93 0.00 54 V 8.13 4.74 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 0.91 0.00 0.00 0.93 0.00 0.00 55 K 8.34 4.18 0.00 1.62 1.57 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.00 7.81 56 D 9.83 4.41 0.00 2.76 2.74 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 57 G 8.03 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 0.00 0.00 0.00 58 D 7.65 4.59 0.00 2.62 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.32 4.78 0.00 2.29 2.03 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 60 V 9.08 4.45 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 0.59 0.00 0.00 0.93 0.00 0.00 61 E 8.63 5.30 0.00 1.75 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 2.20 1.72 0.00 62 V 8.93 4.35 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 0.86 0.00 0.00 0.93 0.00 0.00 63 I 8.03 4.36 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 1.16 0.89 0.91 0.00 0.00 64 P 0.00 4.38 0.00 2.07 1.96 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.63 0.00 65 V 7.94 4.25 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 0.88 0.00 0.00 0.93 0.00 0.00 66 V 7.58 4.19 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 0.87 0.00 0.00 0.93 0.00 0.00 67 S 7.76 4.55 0.00 3.56 3.59 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 68 G 8.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.47 3.72 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.