NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3168 8.1329 112.9183 60.0151 71.6395 176.6876 4 L 3.8201 7.6327 123.9131 59.0397 41.2664 180.3493 5 L 4.2491 8.3461 124.4458 60.1335 41.1232 181.3227 6 Q 4.2820 8.2650 123.5417 60.7195 27.9057 181.2677 7 L 4.2524 8.2162 127.0796 59.9775 40.8418 181.6998 8 L 4.2526 8.2632 126.1038 60.0591 40.7806 182.0372 9 S 4.4001 8.4131 122.4360 63.9856 62.2330 178.7051 10 N 4.6105 8.5462 126.0292 58.1274 37.3217 179.3934 *11 Y 4.2264 8.2588 125.5001 62.8108 37.0514 180.7498 *12 Y 4.2722 8.2978 125.8114 62.2769 36.9686 180.7257 13 K 4.2093 8.7815 125.7924 59.5425 31.8035 181.1737 14 A 4.2430 8.1898 124.1105 55.7583 18.2257 180.6288 15 K 4.1002 8.1828 124.4067 60.1118 31.6081 181.9868 16 L 4.2550 8.0681 124.4085 60.5009 40.8778 183.3456 17 D 4.6979 8.3067 125.1066 59.1946 39.5650 181.5553 18 S 4.4007 8.0675 122.0423 63.7670 62.1980 178.8208 19 E 4.2424 8.0304 124.6317 61.6105 29.4331 181.9076 20 R 4.1970 8.5242 124.7411 61.9518 29.3944 181.3792 21 I 4.0000 8.1371 123.8778 65.6847 35.0637 180.3116 *22 Y 4.2342 8.2482 125.2210 62.6836 36.5331 180.8058 23 N 4.7203 8.3247 122.9682 57.7984 37.8114 179.3394 24 E 4.3877 8.4414 122.3603 62.1233 30.0291 181.9994 *25 Y 4.3256 8.2140 124.8384 62.7844 36.6279 181.5925 26 V 4.1718 7.6816 120.8219 66.2653 31.8337 182.3159 27 Q 4.2760 8.4641 123.4178 61.0595 27.8961 182.5225 28 S 4.4161 8.1699 122.7618 63.8375 62.1457 179.0029 29 Q 4.2827 7.5607 124.5242 60.9408 27.9271 180.6657 *30 Y 4.4034 8.0720 124.5202 62.4663 36.9657 180.5226 31 E 4.3845 8.2817 121.9038 61.4412 29.9321 180.1136 *32 F 4.4943 7.9338 125.0454 59.2982 38.2093 177.0052 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 3 T 8.13 4.32 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 4 L 7.63 3.82 0.00 1.73 1.70 0.92 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.35 4.25 0.00 1.64 1.72 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.26 4.28 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.01 0.00 7 L 8.22 4.25 0.00 1.63 1.72 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.26 4.25 0.00 1.63 1.72 0.92 1.21 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 9 S 8.41 4.40 0.00 3.71 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 10 N 8.55 4.61 0.00 2.71 2.87 0.00 0.00 7.26 8.26 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 *11 Y 8.26 4.23 0.00 2.31 2.33 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 0.00 *12 Y 8.30 4.27 0.00 2.30 2.33 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 0.00 13 K 8.78 4.21 0.00 1.71 1.85 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.33 7.81 14 A 8.19 4.24 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 15 K 8.18 4.10 0.00 1.81 1.84 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 16 L 8.07 4.26 0.00 1.66 1.70 0.92 0.83 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 17 D 8.31 4.70 0.00 2.68 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 18 S 8.07 4.40 0.00 3.75 3.90 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 19 E 8.03 4.24 0.00 1.92 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 2.25 2.20 0.00 20 R 8.52 4.20 0.00 1.78 1.97 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 21 I 8.14 4.00 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 0.54 0.91 0.00 0.00 *22 Y 8.25 4.23 0.00 2.31 2.33 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 0.00 23 N 8.32 4.72 0.00 2.80 2.77 0.00 0.00 7.03 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.44 4.39 0.00 1.97 1.98 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 2.24 2.19 0.00 *25 Y 8.21 4.33 0.00 2.30 2.37 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 26 V 7.68 4.17 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 27 Q 8.46 4.28 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 28 S 8.17 4.42 0.00 3.73 3.90 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 29 Q 7.56 4.28 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 *30 Y 8.07 4.40 0.00 2.40 2.24 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 0.00 31 E 8.28 4.38 0.00 2.06 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 2.26 2.20 0.00 *32 F 7.93 4.49 0.00 2.37 2.14 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 * Residues marked with a * may have inaccurate shift predictions.