NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9234 8.3393 109.7313 45.6718 0.0000 172.9287 2 S 4.5110 7.9179 113.7232 56.0149 65.9839 172.7573 3 F 4.3109 9.5662 121.8156 56.7091 40.9387 177.4070 4 L 4.5645 8.2190 124.7083 52.2374 41.3300 175.2242 5 P 4.2835 0.0000 0.0000 65.7564 31.2851 178.5925 6 N 4.5420 8.1220 114.4564 54.8518 38.6545 175.5452 7 S 4.5160 7.8975 111.7976 58.0631 63.8000 174.2413 8 E 4.1485 7.8492 123.0551 56.5845 29.9341 175.8896 9 Q 4.5686 8.3035 122.9446 54.2813 32.9330 173.8604 10 Q 4.6297 8.5574 122.1681 54.0881 30.9722 174.6311 11 K 4.6714 8.4247 124.6602 54.6366 35.2453 175.3226 12 S 4.7904 8.4795 120.2911 57.0048 66.4946 173.5209 13 V 4.5357 8.0272 115.2901 60.1451 35.6528 173.8842 14 D 4.8647 8.4914 120.8656 52.8045 42.2170 176.2133 15 I 4.2464 8.2893 124.9752 59.6161 38.5118 175.0854 16 V 4.3379 8.1938 124.8407 60.9538 33.2047 174.3245 17 F 4.6606 8.9930 126.1086 55.9922 40.2131 175.5123 18 S 4.7794 8.3825 121.6517 56.6506 64.5873 174.2396 19 S 4.0556 8.5259 121.6730 58.9056 63.0237 173.5963 *20 P 4.2215 0.0000 0.0000 62.2951 31.2045 172.8409 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 1 G 8.34 3.92 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 0.00 0.00 0.00 2 S 7.92 4.51 0.00 4.04 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 3 F 9.57 4.31 0.00 3.06 3.06 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 4 L 8.22 4.56 0.00 1.76 1.64 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.28 0.00 2.23 2.34 0.00 3.74 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 6 N 8.12 4.54 0.00 2.75 2.93 0.00 0.00 6.87 7.57 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 7 S 7.90 4.52 0.00 3.99 3.99 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 0.00 0.00 0.00 8 E 7.85 4.15 0.00 2.01 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 2.33 2.30 0.00 9 Q 8.30 4.57 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.49 0.00 0.00 0.00 0.00 0.00 2.26 2.53 0.00 10 Q 8.56 4.63 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 11 K 8.42 4.67 0.00 1.68 1.61 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.48 7.81 12 S 8.48 4.79 0.00 3.84 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 13 V 8.03 4.54 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 0.71 0.00 0.00 0.93 0.00 0.00 14 D 8.49 4.86 0.00 2.65 2.60 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 0.00 0.00 0.00 15 I 8.29 4.25 1.98 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 1.33 0.85 0.85 0.00 0.00 16 V 8.19 4.34 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 0.86 0.00 0.00 0.93 0.00 0.00 17 F 8.99 4.66 0.00 2.99 2.98 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 18 S 8.38 4.78 0.00 3.87 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 19 S 8.53 4.06 0.00 3.88 3.83 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 0.00 0.00 0.00 *20 P 0.00 4.22 0.00 1.83 1.86 0.00 3.65 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 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.