NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2871 8.1127 120.8598 56.7046 32.0934 177.2912 2 M 4.0640 7.6433 117.4767 55.2924 31.7869 176.4324 *4 Q 4.2569 9.0604 118.2800 55.6675 32.0073 176.6594 5 L 4.1311 7.9953 117.5733 57.8724 41.7101 180.5618 6 E 4.2501 8.4343 118.2809 56.1123 29.0085 177.8642 *8 K 4.3801 8.2428 118.0209 56.1528 34.0409 178.4328 9 V 4.0003 7.7621 117.6673 63.3376 31.1102 177.6247 *11 E 4.2873 8.2948 119.0920 55.9820 31.4759 177.5733 12 L 4.1626 8.0994 118.5494 57.8301 41.7514 180.3215 13 L 4.2909 7.9329 116.3703 55.0518 41.1245 178.4420 *15 K 4.3895 8.2251 119.9619 56.7382 33.8790 178.5033 16 N 4.5246 8.1202 116.0888 54.1666 38.3010 176.2151 *18 H 4.6472 8.3423 116.4990 55.7696 31.6879 174.3110 19 L 4.1094 7.9993 119.0398 57.6901 41.6120 179.5266 20 E 4.3166 8.0352 119.1254 56.2438 29.2151 177.7441 *22 E 4.3698 8.4053 117.5257 56.2154 31.5261 180.1665 23 V 3.6125 7.7079 117.9083 62.9302 30.8311 177.7578 *25 R 4.2728 8.1020 119.7666 55.9091 31.8768 176.5187 26 L 4.1266 8.0342 117.6015 57.7755 41.7205 180.5552 27 K 4.1245 8.1235 116.9252 56.8045 30.9932 177.8674 *29 L 4.2821 7.5694 116.1724 53.9379 43.7582 177.1343 30 V 3.7512 8.1414 122.8811 63.5160 31.3285 175.9940 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 4.29 0.00 1.90 1.99 0.00 3.21 0.00 0.00 3.41 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 2 M 7.64 4.06 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.62 0.00 *4 Q 9.06 4.26 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.61 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 5 L 8.00 4.13 0.00 2.01 1.71 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.43 4.25 0.00 1.99 1.94 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 2.32 2.29 0.00 *8 K 8.24 4.38 0.00 2.03 1.88 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.43 7.81 9 V 7.76 4.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.98 0.00 0.00 *11 E 8.29 4.29 0.00 2.20 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 2.21 2.34 0.00 12 L 8.10 4.16 0.00 1.90 1.71 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.93 4.29 0.00 1.62 1.70 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 *15 K 8.23 4.39 0.00 1.81 1.90 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.37 7.81 16 N 8.12 4.52 0.00 2.73 2.99 0.00 0.00 6.85 7.53 0.00 0.00 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 8.34 4.65 0.00 3.14 3.56 0.00 5.97 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.00 4.11 0.00 2.06 1.69 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.04 4.32 0.00 1.98 1.93 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 2.31 2.27 0.00 *22 E 8.41 4.37 0.00 2.14 1.97 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 2.14 2.16 0.00 23 V 7.71 3.61 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.98 0.00 0.00 *25 R 8.10 4.27 0.00 1.82 2.13 0.00 3.28 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 26 L 8.03 4.13 0.00 1.94 1.68 0.91 0.91 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 27 K 8.12 4.12 0.00 1.72 1.85 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.42 7.81 *29 L 7.57 4.28 0.00 1.88 1.69 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.14 3.75 2.21 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 0.79 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.