NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 I 4.1331 8.0093 118.5527 59.8082 37.3782 175.1937 9 S 4.5521 8.2063 119.4653 55.2924 64.9973 173.0874 10 Y 4.3262 8.9318 122.6853 60.3237 39.7762 178.5874 11 A 4.0821 8.0355 121.5079 53.7773 19.8010 179.1549 12 A 3.9620 7.6824 118.9171 55.2291 18.4241 179.0643 13 Y 3.9589 8.5356 118.3720 61.0477 38.8145 178.3618 14 L 3.4569 7.7707 119.6937 57.4476 41.5894 179.1483 15 N 4.1846 7.8300 116.9620 56.7552 38.9473 177.0267 16 V 3.5134 7.6089 119.3407 65.9576 31.3828 177.5573 17 A 3.9427 7.5890 118.3291 53.7449 18.2708 178.3110 18 A 4.3229 7.2593 117.8684 52.8514 20.1652 178.1753 19 Q 4.1540 7.9040 117.3570 57.7784 29.4909 177.3524 20 A 4.0188 8.1791 124.8883 55.5467 18.3788 179.8746 21 I 3.8407 7.7155 118.4372 65.0732 35.7353 179.8757 22 R 4.6569 7.8914 122.9217 60.2325 29.5250 181.5966 23 S 4.2463 7.4828 127.0789 59.0435 62.0716 176.9135 *27 T 4.4191 8.1810 123.0442 62.0062 70.2213 174.9593 28 E 4.4987 8.0830 117.4044 56.8575 31.2650 176.8858 29 L 4.2008 7.8432 117.0634 55.9344 42.6891 177.1904 30 Q 4.2986 7.5670 120.2032 54.2129 27.5045 174.3111 31 T 4.0095 7.4012 113.8960 62.0215 68.5072 173.6329 32 A 4.0034 8.6503 123.0576 55.5024 18.2560 179.7765 33 S 4.3361 8.0023 108.4046 59.8166 63.7638 176.0317 34 V 3.8277 7.8737 123.6231 66.4303 31.5367 178.2298 35 L 4.0810 7.4091 120.3418 59.1521 40.8802 180.5073 36 N 4.7252 8.1727 115.3156 56.4120 38.5755 177.2566 37 R 4.1282 7.4837 117.0129 58.3544 30.1028 177.4522 38 S 4.8039 7.4139 114.6081 58.1135 63.5418 173.9875 39 Q 4.5680 8.2198 123.2191 53.9471 31.2512 179.8047 40 T 4.7490 8.3326 114.0924 58.5096 72.1411 170.4577 41 D 4.9084 8.7338 125.2704 53.2871 41.7368 176.0950 42 A 4.6936 7.6284 120.7837 51.4321 20.3789 177.2933 43 F 5.4315 8.8873 118.1758 55.7510 43.6182 173.8934 44 Y 4.9858 9.2118 118.9228 55.6793 40.7307 174.2852 45 T 4.8911 8.7983 120.0304 61.6695 71.3377 173.4932 46 Q 4.6593 8.4796 126.0456 55.7201 30.8207 173.9780 47 Y 5.2509 8.6773 124.1091 57.1524 41.9223 175.3267 48 K 4.6003 9.1184 126.5454 55.3446 36.6859 174.9304 49 N 3.9953 9.0378 112.6661 54.3233 35.7321 174.5369 *53 A 4.2543 7.6997 120.3579 53.4982 20.0818 178.2217 54 S 4.3954 7.9502 122.4626 59.2658 64.1243 170.8526 55 E 5.3042 8.1628 114.5207 56.1170 33.9885 169.8201 56 P 4.6868 0.0000 0.0000 62.6013 32.1313 176.7495 57 T 3.8242 8.6075 119.5306 58.7883 69.1595 168.8729 58 P 4.5324 0.0000 0.0000 63.8409 31.4594 175.2790 59 I 4.7920 8.2898 122.8134 59.0428 40.1110 175.1988 60 T 3.6727 8.6870 121.4734 61.2464 69.2093 175.1222 61 K 4.4989 8.1810 128.1149 55.0302 31.3241 175.3439 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 8 I 8.01 4.13 1.87 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 1.47 1.21 0.91 0.00 0.00 9 S 8.21 4.55 0.00 4.13 4.06 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 0.00 0.00 0.00 10 Y 8.93 4.33 0.00 2.99 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 11 A 8.04 4.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.68 3.96 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.54 3.96 0.00 2.95 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 14 L 7.77 3.46 0.00 1.53 1.48 0.71 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.83 4.18 0.00 2.80 2.90 0.00 0.00 6.76 7.74 0.00 0.00 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 V 7.61 3.51 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.90 0.00 0.00 17 A 7.59 3.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.26 4.32 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.90 4.15 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 20 A 8.18 4.02 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 21 I 7.72 3.84 1.87 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 1.50 0.73 0.91 0.00 0.00 22 R 7.89 4.66 0.00 1.94 1.68 0.00 3.26 0.00 0.00 3.26 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 23 S 7.48 4.25 0.00 3.66 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 *27 T 8.18 4.42 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 28 E 8.08 4.50 0.00 2.04 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 2.17 2.29 0.00 29 L 7.84 4.20 0.00 1.65 1.75 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.57 4.30 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 31 T 7.40 4.01 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 1.20 0.00 0.00 32 A 8.65 4.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.00 4.34 0.00 4.01 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.87 3.83 2.22 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 1.01 0.00 0.00 0.92 0.00 0.00 35 L 7.41 4.08 0.00 1.75 1.58 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.17 4.73 0.00 2.91 2.87 0.00 0.00 6.47 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.48 4.13 0.00 1.83 2.21 0.00 3.21 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 38 S 7.41 4.80 0.00 4.11 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.22 4.57 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.59 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 40 T 8.33 4.75 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 41 D 8.73 4.91 0.00 2.72 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.63 4.69 1.25 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 0.00 0.00 43 F 8.89 5.43 0.00 2.87 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 9.21 4.99 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.80 4.89 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 46 Q 8.48 4.66 0.00 2.29 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 47 Y 8.68 5.25 0.00 2.75 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.12 4.60 0.00 1.44 1.60 0.00 1.95 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.26 7.81 49 N 9.04 4.00 0.00 2.73 2.85 0.00 0.00 6.43 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *53 A 7.70 4.25 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.95 4.40 0.00 3.53 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.16 5.30 0.00 1.68 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.71 0.00 56 P 0.00 4.69 0.00 1.75 1.97 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.58 0.00 57 T 8.61 3.82 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 58 P 0.00 4.53 0.00 1.84 1.89 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.62 0.00 59 I 8.29 4.79 1.87 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 1.09 0.66 0.91 0.00 0.00 60 T 8.69 3.67 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 61 K 8.18 4.50 0.00 1.55 1.62 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.27 7.81 * Residues marked with a * may have inaccurate shift predictions.