NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5507 8.3231 115.2945 57.2093 64.8178 175.9533 3 G 4.1734 9.3133 110.4625 43.8999 0.0000 173.3097 4 P 4.4748 0.0000 0.0000 62.8380 33.6726 175.1485 5 N 5.0116 8.6039 118.6760 53.0536 40.9541 173.1676 6 Y 5.1244 8.5251 116.5052 56.4963 42.7224 174.4276 7 V 4.9426 8.2448 119.7375 60.2216 35.6028 173.7667 *9 H 4.7279 8.5028 120.2665 56.2690 30.7578 173.0064 10 T 4.8071 8.5428 116.6456 60.8514 69.9349 174.8115 11 N 4.6110 8.9696 119.5556 55.3130 39.2123 175.7410 12 D 4.5740 7.5874 116.8064 53.9451 40.3552 176.6726 13 G 4.0156 8.2088 104.1233 47.7985 0.0000 173.0865 14 R 4.8145 7.8400 117.8654 54.4399 34.8880 174.6811 15 S 4.8704 8.5698 117.3527 56.5211 65.1144 173.0936 16 I 4.4934 8.2023 124.6472 59.2262 40.1690 174.5528 17 V 4.4865 8.5307 127.7500 62.3963 32.2451 175.1077 18 T 4.8926 8.9396 118.2558 60.1240 71.5062 173.8515 19 D 4.7258 9.4336 124.2126 55.4756 41.2740 176.7216 20 G 4.0227 9.1570 111.9196 44.4676 0.0000 171.0742 21 K 3.7995 8.5794 120.6394 54.9347 32.5737 174.8919 22 P 4.8366 0.0000 0.0000 63.0307 32.4829 175.0351 23 Q 4.6121 8.6461 117.4560 55.2866 32.2963 173.7830 24 T 4.2726 8.3673 117.6791 63.3348 69.3102 174.1264 25 D 4.4272 8.7573 126.4616 54.0914 41.9006 176.7965 26 N 4.4266 8.8124 123.8775 56.0255 38.9698 175.8360 27 D 4.6015 8.7165 117.8661 55.8601 41.5511 177.4527 28 T 4.2164 8.2414 106.7886 60.9799 70.7016 173.9853 29 G 3.4462 7.6723 109.0479 45.6500 0.0000 173.9269 *31 I 4.1691 7.2348 117.9498 61.1693 39.4643 176.6685 32 S 5.4239 9.2236 122.5980 57.1305 65.5904 172.7645 33 Y 5.0704 8.6618 119.3335 56.1415 41.9594 172.8201 34 K 4.8960 8.6374 121.5741 54.5988 34.6732 175.7642 35 D 5.0500 8.8344 126.9511 52.3599 40.4444 177.0981 36 A 4.3108 8.5797 122.0422 54.9094 18.3000 178.0947 37 N 4.6388 8.3046 111.3187 53.1457 38.7038 176.2852 38 G 4.0019 8.7064 108.7250 44.8696 0.0000 173.6560 39 N 4.7142 8.5110 118.5330 51.9453 39.0802 174.9060 40 K 4.5239 8.4563 121.4073 56.6541 33.0183 176.1902 41 Q 4.5219 8.9997 122.4099 54.2461 33.7003 173.9336 42 Q 5.1215 8.3815 118.1955 54.4126 32.3562 174.6880 43 I 4.7697 9.0376 123.1938 58.8969 41.7469 174.3524 44 N 4.4868 8.7101 126.1248 53.1825 39.7300 175.7867 45 R 3.8852 8.8017 125.5776 59.7988 30.3677 178.4138 46 T 3.9261 8.2840 113.9394 66.2952 68.6641 174.2888 47 D 4.4970 8.3689 119.3189 54.1885 41.5526 175.2922 48 V 4.4426 7.7580 119.2392 61.8834 32.1534 175.1988 49 K 4.1580 8.8470 129.8552 58.8290 32.5501 175.8014 50 E 4.4341 7.4489 113.3114 55.3047 31.6253 173.6664 *52 V 4.0258 8.2004 116.4084 62.0183 33.0468 174.6708 53 A 3.4357 8.4100 125.2179 51.4637 19.3674 177.3403 54 L 4.3731 8.3399 123.4521 53.5317 41.5587 175.6728 55 E 4.3443 7.9305 124.4957 54.9751 31.6306 175.2557 56 N 4.4073 8.8767 116.6235 54.5786 38.9154 175.5349 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 4.55 0.00 3.88 3.38 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 3 G 9.31 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.47 0.00 1.93 2.02 0.00 3.83 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 2.08 2.01 0.00 5 N 8.60 5.01 0.00 2.67 3.06 0.00 0.00 6.73 7.48 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 6 Y 8.53 5.12 0.00 2.87 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 V 8.24 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 0.93 0.00 0.00 0.92 0.00 0.00 *9 H 8.50 4.73 0.00 3.28 3.18 0.00 5.71 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 8.54 4.81 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 1.18 0.00 0.00 11 N 8.97 4.61 0.00 2.82 2.93 0.00 0.00 7.02 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 12 D 7.59 4.57 0.00 2.78 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 13 G 8.21 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 4.81 0.00 2.07 1.68 0.00 3.03 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 15 S 8.57 4.87 0.00 3.81 3.70 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 16 I 8.20 4.49 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 1.10 0.79 0.00 0.00 17 V 8.53 4.49 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 0.87 0.00 0.00 0.93 0.00 0.00 18 T 8.94 4.89 4.38 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 1.05 0.00 0.00 19 D 9.43 4.73 0.00 2.68 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 20 G 9.16 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 3.80 0.00 1.74 1.67 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.66 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.12 0.42 7.81 22 P 0.00 4.84 0.00 1.85 1.98 0.00 3.20 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.03 0.00 23 Q 8.65 4.61 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 24 T 8.37 4.27 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 2.67 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 26 N 8.81 4.43 0.00 2.75 2.87 0.00 0.00 7.06 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 8.72 4.60 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 28 T 8.24 4.22 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 29 G 7.67 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 7.23 4.17 2.07 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 1.48 0.79 0.94 0.00 0.00 32 S 9.22 5.42 0.00 3.80 3.96 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 0.00 0.00 0.00 0.00 33 Y 8.66 5.07 0.00 3.05 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 4.90 0.00 1.87 1.73 0.00 1.87 0.00 0.00 1.97 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.37 7.81 35 D 8.83 5.05 0.00 3.00 2.87 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 36 A 8.58 4.31 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 8.30 4.64 0.00 3.09 2.86 0.00 0.00 7.15 7.21 0.00 0.00 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 8.71 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 39 N 8.51 4.71 0.00 2.77 2.92 0.00 0.00 6.85 6.85 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 40 K 8.46 4.52 0.00 1.58 1.68 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.42 7.81 41 Q 9.00 4.52 0.00 0.93 1.59 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 2.07 2.18 0.00 42 Q 8.38 5.12 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 43 I 9.04 4.77 2.07 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 1.15 0.93 1.01 0.00 0.00 44 N 8.71 4.49 0.00 2.78 2.68 0.00 0.00 6.68 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 8.80 3.89 0.00 1.88 1.92 0.00 3.24 0.00 0.00 3.33 7.33 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 8.28 3.93 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 1.21 0.00 0.00 47 D 8.37 4.50 0.00 2.74 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 48 V 7.76 4.44 2.17 0.00 0.00 0.00 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 0.95 0.00 0.00 49 K 8.85 4.16 0.00 1.76 1.93 0.00 1.83 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.34 7.81 50 E 7.45 4.43 0.00 2.07 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 2.29 0.00 *52 V 8.20 4.03 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 0.76 0.00 0.00 0.90 0.00 0.00 53 A 8.41 3.44 0.75 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 0.00 0.00 0.00 0.00 0.00 54 L 8.34 4.37 0.00 1.48 1.59 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.93 4.34 0.00 1.95 1.78 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 2.07 2.23 0.00 56 N 8.88 4.41 0.00 2.66 2.73 0.00 0.00 6.66 7.56 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 * Residues marked with a * may have inaccurate shift predictions.