NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4P F 4.5750 8.4245 122.8211 58.1351 40.8305 174.6946 5P R 4.3790 6.4071 121.9617 53.6657 33.2076 174.8558 6P R 4.2763 8.7834 120.1694 57.6025 30.5500 173.8343 7P G 4.1459 9.2202 112.9822 45.5662 0.0000 174.9694 8P Q 4.1343 7.3246 117.2615 55.2439 28.6413 179.3756 9P T 4.8631 7.9858 113.5827 61.1660 70.1793 172.8699 10P C 4.9037 8.8302 120.1300 57.6440 30.4799 172.5313 11P Y 4.6556 8.1203 121.0540 56.0213 40.2236 175.0811 12P R 4.2139 7.6049 126.9484 53.1988 30.9441 173.0989 13P P 4.2531 0.0000 0.0000 62.8116 33.0040 176.0535 14P L 4.6031 7.4809 122.8933 53.3287 41.7568 180.7380 15P R 3.3819 8.9147 130.4717 58.0695 28.0762 174.8015 *32P E 4.2435 8.2170 111.1351 57.7579 30.6747 173.9758 *33P Y 4.1106 8.3600 111.2680 62.3684 37.0347 173.0744 34P L 4.2221 7.6009 120.1534 54.5046 42.7459 177.4873 35P S 4.4850 8.2650 114.9693 57.1170 64.0566 173.5608 36P P 4.1919 0.0000 0.0000 65.8237 31.1672 178.0630 37P A 4.0915 7.9522 119.3264 54.7220 18.6310 176.8570 38P D 4.5178 7.8985 119.8671 54.6715 40.9363 176.2347 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 4P F 8.42 4.57 0.00 3.05 3.05 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 0.00 0.00 0.00 5P R 6.41 4.38 0.00 1.79 1.69 0.00 3.33 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.26 0.00 6P R 8.78 4.28 0.00 1.82 1.80 0.00 3.20 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 7P G 9.22 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8P Q 7.32 4.13 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.53 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 9P T 7.99 4.86 4.34 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 1.26 0.00 0.00 10P C 8.83 4.90 0.00 3.14 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 11P Y 8.12 4.66 0.00 2.89 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12P R 7.60 4.21 0.00 1.64 1.61 0.00 3.20 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.47 0.00 13P P 0.00 4.25 0.00 2.22 2.15 0.00 3.63 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 14P L 7.48 4.60 0.00 1.58 0.76 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 15P R 8.91 3.38 0.00 1.94 1.76 0.00 3.30 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.17 0.00 *32P E 8.22 4.24 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.88 0.00 *33P Y 8.36 4.11 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34P L 7.60 4.22 0.00 1.62 1.64 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 35P S 8.26 4.48 0.00 4.00 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 36P P 0.00 4.19 0.00 2.06 2.17 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 37P A 7.95 4.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38P D 7.90 4.52 0.00 2.78 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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.