NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 I 4.0595 8.0249 121.4421 60.1127 38.9750 175.7264 13 P 4.0360 0.0000 0.0000 62.8249 32.2330 173.5733 14 E 3.9221 8.7047 123.1134 59.2250 30.1418 179.0317 15 W 4.3958 8.3416 116.2701 59.7219 27.9511 178.3362 16 K 3.1605 6.6690 118.6451 58.9003 31.5805 179.1862 17 Q 3.9092 7.4853 118.4236 58.9368 28.5494 178.6041 18 E 4.0933 8.6100 120.1491 59.0994 29.4498 179.0362 19 E 3.9547 8.1398 119.4295 59.2971 29.6690 179.0245 20 V 3.7995 7.6976 117.8384 65.4962 31.3683 177.7065 21 D 4.2974 7.5696 117.6244 57.2174 40.9914 178.2012 22 A 4.0458 8.3026 121.5395 55.5002 18.3076 179.8180 23 I 3.6698 8.4117 118.3797 64.5954 37.2185 178.9251 24 V 3.6714 7.5644 118.9271 65.6117 31.2612 178.0730 25 E 3.9087 8.4871 119.0825 59.8278 29.2080 179.2632 26 M 4.1666 7.8466 116.9104 58.1813 32.0132 178.5870 27 I 3.9393 7.5550 119.3474 63.8426 37.3159 177.7787 28 E 4.1651 7.9440 119.4428 58.5777 29.4629 178.3190 29 S 4.3666 7.8938 112.6482 59.1201 64.4642 174.7717 *63 R 4.2005 7.0472 119.3995 55.5423 31.4220 176.1494 64 N 4.3467 8.7105 117.8470 56.8438 38.7313 177.7442 65 T 3.9539 7.9981 110.6596 65.1249 68.5405 176.0831 66 L 4.0391 7.8382 120.9819 57.1109 41.7067 179.3085 67 L 3.9815 7.6441 119.1181 57.9471 41.8456 179.2956 68 E 4.1266 8.8341 118.6644 59.1030 29.0212 179.5159 69 R 3.8024 7.5880 117.9349 59.2971 30.5298 177.8244 70 A 4.3512 7.9695 121.7864 54.6503 18.1761 179.3849 71 L 3.9410 8.0795 116.4420 58.1635 41.8511 179.1271 72 D 4.5558 7.7632 115.1502 55.6344 40.4787 176.2435 73 D 4.5562 8.6423 126.2350 54.3477 41.3146 175.8165 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 12 I 8.02 4.06 1.85 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 1.38 1.04 0.88 0.00 0.00 13 P 0.00 4.04 0.00 1.78 2.03 0.00 3.45 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.24 0.00 14 E 8.70 3.92 0.00 2.07 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 2.40 2.37 0.00 15 W 8.34 4.40 0.00 3.62 3.36 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 K 6.67 3.16 0.00 1.40 1.34 0.00 1.27 0.00 0.00 1.42 0.00 0.00 2.79 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.30 0.21 7.81 17 Q 7.49 3.91 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 18 E 8.61 4.09 0.00 2.18 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 2.35 2.53 0.00 19 E 8.14 3.95 0.00 2.34 2.06 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 0.00 2.39 2.39 0.00 20 V 7.70 3.80 2.15 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 0.94 0.00 0.00 0.87 0.00 0.00 21 D 7.57 4.30 0.00 3.06 2.68 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 22 A 8.30 4.05 1.39 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 23 I 8.41 3.67 1.91 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 1.42 0.95 0.91 0.00 0.00 24 V 7.56 3.67 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 1.03 0.00 0.00 0.98 0.00 0.00 25 E 8.49 3.91 0.00 2.28 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 2.33 2.35 0.00 26 M 7.85 4.17 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 27 I 7.56 3.94 2.03 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 0.76 0.91 0.00 0.00 28 E 7.94 4.17 0.00 2.25 2.00 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 2.34 2.31 0.00 29 S 7.89 4.37 0.00 4.03 3.98 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 0.00 0.00 0.00 *63 R 7.05 4.20 0.00 1.98 1.98 0.00 3.27 0.00 0.00 3.44 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 64 N 8.71 4.35 0.00 2.77 2.97 0.00 0.00 6.62 7.05 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 65 T 8.00 3.95 4.22 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 66 L 7.84 4.04 0.00 1.86 1.73 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.64 3.98 0.00 1.77 1.71 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.83 4.13 0.00 1.96 2.00 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 2.33 2.57 0.00 69 R 7.59 3.80 0.00 2.06 2.11 0.00 3.30 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 70 A 7.97 4.35 1.36 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 71 L 8.08 3.94 0.00 1.75 1.76 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.76 4.56 0.00 2.89 2.71 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 73 D 8.64 4.56 0.00 2.74 2.50 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.