NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3238 8.1127 119.7067 56.4201 32.7478 177.2696 2 M 3.9484 7.9039 117.1929 57.2639 32.0621 176.3872 3 K 4.7821 8.0660 121.1262 58.7915 32.8531 177.8524 4 Q 3.9729 8.1415 119.3420 59.0962 28.7134 178.5867 5 I 3.7761 7.2710 119.9671 64.2260 37.3492 177.5661 6 E 3.9465 7.9054 118.9464 60.1129 29.5293 179.5222 7 D 4.4180 8.5063 118.6305 57.2984 40.8407 179.0612 8 K 4.1085 7.8714 119.0773 59.0104 32.1745 179.3634 9 L 4.0159 8.1746 119.7250 57.6974 41.5148 179.1102 10 E 3.9726 8.3020 119.4148 59.0611 29.4877 178.4204 11 E 3.9385 8.1114 119.0532 59.2919 29.6225 178.7306 12 I 3.6890 7.8641 119.7997 64.4569 37.1646 178.0931 13 L 3.9993 7.8690 120.8202 58.2515 41.9773 178.9486 14 S 4.2023 8.7164 113.4328 61.4239 62.2672 176.2888 15 K 4.0382 8.5178 121.6103 59.3909 31.7747 179.2877 16 L 3.9646 8.3003 119.5846 58.1071 41.5074 179.1923 17 Y 3.9240 8.3486 116.7742 61.1231 37.5423 178.2707 18 H 4.1999 8.2144 118.1459 59.3835 30.1625 176.7660 19 I 3.8505 7.7211 120.6342 64.8304 37.0865 177.5423 20 E 4.1337 8.1247 118.1364 58.2095 29.5113 176.9522 21 N 4.8619 7.8196 114.8605 52.9773 39.7475 175.7076 *23 A 4.4393 8.1322 122.2358 52.4306 20.6750 180.2599 24 R 4.0587 7.7652 114.1048 59.0404 30.1413 179.2101 25 I 3.8105 7.6807 119.5613 64.1782 37.0345 178.3135 26 K 4.0195 7.9320 117.9879 59.1994 31.9868 178.9682 27 K 4.0406 8.0177 119.1273 59.4183 32.3161 178.2538 28 L 4.0112 7.5953 119.7709 58.1483 42.1852 176.8419 29 L 4.2160 7.7905 121.4421 54.9342 41.6908 176.5583 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 4.32 0.00 1.89 2.05 0.00 3.09 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 2 M 7.90 3.95 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.72 0.00 3 K 8.07 4.78 0.00 1.86 1.78 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.35 7.81 4 Q 8.14 3.97 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 5 I 7.27 3.78 2.09 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 1.52 0.49 0.91 0.00 0.00 6 E 7.91 3.95 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 2.34 2.65 0.00 7 D 8.51 4.42 0.00 2.72 2.72 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 K 7.87 4.11 0.00 1.87 1.85 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.48 7.81 9 L 8.17 4.02 0.00 1.91 1.73 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.30 3.97 0.00 2.11 2.09 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 2.37 0.00 11 E 8.11 3.94 0.00 2.20 2.05 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 2.37 0.00 12 I 7.86 3.69 2.06 0.00 0.00 0.87 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 0.71 0.92 0.00 0.00 13 L 7.87 4.00 0.00 1.97 1.95 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.72 4.20 0.00 3.99 4.00 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 8.52 4.04 0.00 1.95 1.84 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.63 7.81 16 L 8.30 3.96 0.00 1.84 1.60 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.35 3.92 0.00 3.27 3.02 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 4.20 0.00 3.21 3.48 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.72 3.85 2.02 0.00 0.00 0.84 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 0.73 0.90 0.00 0.00 20 E 8.12 4.13 0.00 2.03 2.11 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 2.31 0.00 21 N 7.82 4.86 0.00 2.76 2.80 0.00 0.00 6.96 8.43 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 A 8.13 4.44 1.32 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 24 R 7.77 4.06 0.00 1.84 1.99 0.00 3.29 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 25 I 7.68 3.81 1.88 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 1.64 0.91 0.92 0.00 0.00 26 K 7.93 4.02 0.00 1.88 1.88 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.52 7.81 27 K 8.02 4.04 0.00 1.77 1.90 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 28 L 7.60 4.01 0.00 1.77 1.94 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.79 4.22 0.00 1.80 1.56 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.