NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7046 8.2827 119.2089 53.1156 39.2183 174.1205 4 Q 3.8801 8.4433 126.5731 58.1478 28.9351 175.9877 5 H 4.2474 9.1042 120.3740 59.2797 30.4532 176.7106 6 L 3.9664 8.3759 120.8597 57.8594 41.4591 178.9943 7 C 4.2479 8.3025 118.8720 62.3642 31.4951 175.6957 8 G 3.7655 8.2015 107.3182 48.0954 0.0000 175.5979 9 S 4.0283 7.7255 117.6199 61.7966 62.8525 176.7146 10 H 4.2237 7.7692 118.1203 58.5008 28.3286 177.8678 11 L 3.9524 8.0241 120.8969 58.0589 41.5610 180.0827 12 V 3.4190 7.5823 112.1307 64.2465 31.4298 178.5785 13 E 4.0288 7.8885 117.4379 59.1762 29.2072 179.2194 14 A 3.9888 8.0443 120.9100 55.1778 18.4954 179.7197 15 L 3.6255 8.0269 117.9272 57.6579 41.4458 178.9699 16 Y 4.2410 7.8735 119.5479 60.8649 38.5056 178.4772 17 L 3.6965 7.5194 117.8276 57.6213 41.8351 179.4309 18 V 3.6733 7.5873 117.0690 66.2941 31.9594 177.6680 19 C 4.2930 8.6006 116.8973 61.1836 28.3498 174.8417 20 G 3.6008 8.3695 110.2566 46.3372 0.0000 176.0859 21 E 4.0962 8.8005 120.7603 58.9056 29.7304 178.4386 22 R 3.9010 7.7567 117.5346 57.1724 30.1998 177.7545 23 G 3.9846 9.4069 104.5735 45.3193 0.0000 171.5772 24 F 4.9903 7.6048 111.4744 56.2811 40.0124 173.0480 25 F 4.6633 9.1236 119.6077 55.6790 41.3554 174.4397 26 Y 4.8409 8.7128 125.3664 55.9788 40.5183 175.0721 27 T 4.2835 7.5700 116.4834 58.8737 69.8400 172.2040 28 P 3.9393 0.0000 0.0000 65.3113 31.9769 177.4174 29 K 4.0821 7.4978 117.7204 55.7643 34.3261 180.7061 *30 T 4.2236 8.4261 113.4234 61.3421 69.0835 176.2842 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 3 N 8.28 4.70 0.00 2.76 2.83 0.00 0.00 6.70 6.08 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 4 Q 8.44 3.88 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 5 H 9.10 4.25 0.00 3.28 3.49 0.00 5.74 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.38 3.97 0.00 1.88 1.73 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.30 4.25 0.00 3.03 3.09 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 0.00 0.00 0.00 8 G 8.20 3.77 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 0.00 9 S 7.73 4.03 0.00 3.86 3.78 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 10 H 7.77 4.22 0.00 3.46 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.02 3.95 0.00 1.87 1.73 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.58 3.42 2.08 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 0.14 0.00 0.00 0.86 0.00 0.00 13 E 7.89 4.03 0.00 2.15 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 2.28 2.26 0.00 14 A 8.04 3.99 1.35 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 15 L 8.03 3.63 0.00 0.65 0.22 0.70 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.87 4.24 0.00 3.31 3.25 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 17 L 7.52 3.70 0.00 1.79 1.67 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.59 3.67 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 0.79 0.00 0.00 0.92 0.00 0.00 19 C 8.60 4.29 0.00 3.17 3.21 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 0.00 0.00 0.00 0.00 20 G 8.37 3.60 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 0.00 21 E 8.80 4.10 0.00 1.95 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 2.32 2.40 0.00 22 R 7.76 3.90 0.00 2.04 2.05 0.00 3.21 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 23 G 9.41 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 0.00 0.00 0.00 24 F 7.60 4.99 0.00 3.24 3.03 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 0.00 0.00 0.00 25 F 9.12 4.66 0.00 3.00 3.07 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 0.00 0.00 0.00 0.00 26 Y 8.71 4.84 0.00 3.23 3.04 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 0.00 0.00 0.00 27 T 7.57 4.28 4.18 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 1.27 0.00 0.00 28 P 0.00 3.94 0.00 2.02 2.22 0.00 3.50 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 29 K 7.50 4.08 0.00 1.73 1.43 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.21 7.81 *30 T 8.43 4.22 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.