NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.4539 8.1633 120.3490 55.6516 33.9575 177.4939 3 K 4.4613 7.6692 115.2074 56.0687 32.5533 177.1053 *5 I 4.2438 8.7416 121.2433 61.7390 39.5213 179.5369 6 E 4.1935 7.9194 117.4572 56.6798 28.8145 179.1056 *8 K 4.2470 8.2173 121.9115 56.6257 33.7583 177.6132 9 L 4.4254 7.8895 118.0131 55.1325 41.5277 178.3455 *11 E 4.4709 8.3920 118.8489 56.7862 31.2416 180.2166 12 I 4.1359 7.6010 117.7843 61.5388 36.6743 177.7484 *14 S 4.7915 8.2820 117.8159 58.8616 64.5946 176.6351 15 K 4.4771 7.9048 118.9467 56.8613 31.6686 178.1693 *17 Y 4.8285 8.0397 117.3032 58.6728 39.7080 177.9855 18 H 4.6103 8.1339 116.9406 56.6667 29.8201 176.1189 *20 E 4.3703 8.2550 118.3291 56.0657 30.9667 177.8320 21 N 4.7689 8.3506 113.9989 53.8411 38.4917 176.5521 *23 L 4.3481 8.1319 119.8125 54.9969 43.4465 179.1774 24 A 4.4192 7.8130 119.4874 52.7081 18.3375 178.8059 *26 I 4.2525 7.9761 121.2493 63.1513 38.9019 180.2332 27 K 3.8316 8.0717 116.8040 56.7208 31.1172 178.1345 *29 L 4.3571 7.9617 120.8640 54.4829 43.3129 177.8671 30 L 4.2458 7.8949 118.0535 55.8514 42.3208 177.0770 *32 E 4.1524 8.0181 119.7954 56.0507 30.3599 180.9076 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 M 8.16 4.45 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 3 K 7.67 4.46 0.00 1.87 1.81 0.00 1.88 0.00 0.00 0.80 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.48 7.81 *5 I 8.74 4.24 2.04 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 1.41 0.74 0.91 0.00 0.00 6 E 7.92 4.19 0.00 2.26 1.96 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 2.33 2.40 0.00 *8 K 8.22 4.25 0.00 1.86 2.02 0.00 1.60 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.54 7.81 9 L 7.89 4.43 0.00 1.83 1.67 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 *11 E 8.39 4.47 0.00 2.25 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 0.00 2.31 2.35 0.00 12 I 7.60 4.14 1.99 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 0.56 0.91 0.00 0.00 *14 S 8.28 4.79 0.00 4.18 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 4.48 0.00 1.93 1.86 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.72 1.57 7.81 *17 Y 8.04 4.83 0.00 3.28 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.61 0.00 3.16 3.36 0.00 5.98 0.00 0.00 0.00 0.00 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.26 4.37 0.00 2.08 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 0.00 2.30 2.43 0.00 21 N 8.35 4.77 0.00 2.83 2.83 0.00 0.00 7.24 7.50 0.00 0.00 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 L 8.13 4.35 0.00 1.87 1.74 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.81 4.42 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 *26 I 7.98 4.25 2.00 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 1.41 0.52 0.91 0.00 0.00 27 K 8.07 3.83 0.00 1.91 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 *29 L 7.96 4.36 0.00 1.81 1.77 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.89 4.25 0.00 1.79 1.70 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *32 E 8.02 4.15 0.00 2.01 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 1.88 0.00 * Residues marked with a * may have inaccurate shift predictions.