NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3567 8.1133 119.7067 56.6255 32.4178 177.2383 2 M 4.2802 7.7058 116.6174 55.3804 31.5232 176.7573 *4 Q 4.2591 9.0439 120.2178 56.2513 31.9733 176.8328 5 I 3.8533 8.1271 118.7110 64.5498 37.4245 179.6953 6 E 4.2597 8.2221 120.4253 56.2081 28.6838 178.6779 *8 K 4.2995 8.1642 117.9944 56.0028 34.1752 177.5916 9 L 4.1338 8.2666 118.9911 57.6456 41.8125 178.6238 10 E 4.3088 8.0386 117.8105 56.7486 29.1220 178.4455 *12 I 4.0757 7.8863 118.8606 60.8229 39.2047 177.0213 13 L 4.0485 8.3088 122.2955 58.1886 42.2544 179.8040 14 S 4.6199 8.3047 112.2774 58.4965 61.5156 175.6522 *16 L 4.2586 7.9815 120.2958 54.4983 43.5135 178.1371 17 Y 4.3033 8.2826 116.5609 61.1010 38.2102 177.2059 18 H 4.7075 8.2105 120.1898 56.3030 29.4812 177.0260 *20 E 4.3018 8.3372 118.3940 56.2187 31.7086 177.3802 21 N 4.5395 8.3398 115.9325 56.5279 38.8721 176.9808 22 E 4.5416 7.9422 117.8027 56.5832 29.5176 178.9412 *24 A 4.2598 8.1199 122.4977 52.3908 20.4548 179.1691 25 R 4.1702 7.8045 114.1369 59.0756 30.7494 177.8032 26 I 3.8229 7.8266 119.5845 61.4167 37.1274 177.9103 *28 K 4.2094 8.1124 122.3066 56.4528 33.8000 176.4369 29 L 4.2035 7.5014 116.6825 56.1863 41.2603 176.0930 30 L 4.3585 7.2138 117.8875 56.2336 44.9044 176.9266 *32 E 4.1515 7.9622 121.1818 56.3977 30.3597 177.8971 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 R 8.11 4.36 0.00 1.89 2.05 0.00 3.09 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 2 M 7.71 4.28 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 *4 Q 9.04 4.26 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.78 7.06 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 5 I 8.13 3.85 2.08 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 1.18 0.74 0.91 0.00 0.00 6 E 8.22 4.26 0.00 2.09 1.91 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 2.31 2.29 0.00 *8 K 8.16 4.30 0.00 1.95 1.90 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.42 7.81 9 L 8.27 4.13 0.00 1.88 1.72 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.04 4.31 0.00 2.23 1.91 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 2.32 2.35 0.00 *12 I 7.89 4.08 2.01 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 1.30 0.67 0.90 0.00 0.00 13 L 8.31 4.05 0.00 1.78 1.90 0.72 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.30 4.62 0.00 3.96 3.86 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 *16 L 7.98 4.26 0.00 1.66 1.57 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.28 4.30 0.00 3.21 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.21 4.71 0.00 3.25 3.30 0.00 5.63 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.34 4.30 0.00 2.25 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 2.26 2.34 0.00 21 N 8.34 4.54 0.00 3.01 2.91 0.00 0.00 7.20 7.06 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 22 E 7.94 4.54 0.00 1.96 1.91 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 2.28 2.22 0.00 *24 A 8.12 4.26 1.33 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 0.00 0.00 25 R 7.80 4.17 0.00 2.05 1.98 0.00 3.12 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 26 I 7.83 3.82 1.95 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 1.18 0.55 0.91 0.00 0.00 *28 K 8.11 4.21 0.00 1.74 2.08 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.47 7.81 29 L 7.50 4.20 0.00 1.84 1.71 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.21 4.36 0.00 1.68 1.52 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 *32 E 7.96 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.