NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3216 8.3049 120.3230 56.4746 33.2746 175.5543 2 E 4.1260 10.1084 121.0563 56.4696 28.6722 172.9183 3 Q 4.6861 7.9714 119.6575 54.4841 33.8472 173.5160 4 L 5.1874 8.3392 119.8560 54.7999 43.6796 175.8371 5 T 5.2561 7.8932 109.6125 59.9957 72.1889 173.0941 6 K 4.3148 8.2898 120.0521 57.0581 33.9217 174.2473 7 N 5.7696 8.0482 116.9643 51.9132 41.1493 174.6158 8 Q 4.1865 8.3249 120.3760 55.8257 29.8502 174.8789 *80 G 4.0086 8.4813 113.1780 42.9648 0.0000 172.0909 81 A 4.4144 7.5377 121.4985 51.8896 21.1829 176.4331 82 T 3.7371 7.5140 108.6605 63.5313 69.0763 172.6769 83 C 4.8989 8.4160 117.3957 58.4567 32.0068 173.0671 84 D 4.3779 10.1543 121.2153 53.5347 39.6492 177.4718 85 D 4.8874 8.1387 126.0580 55.6297 40.1345 175.7028 86 K 4.2675 7.8065 117.1546 58.7092 32.7207 178.6959 87 S 3.9445 8.2228 113.7049 61.8148 62.8353 176.1396 88 A 4.3033 8.0784 126.1067 54.6251 18.2281 179.5829 89 Q 4.0317 8.1274 116.2127 58.7966 28.6498 178.4049 90 I 4.0244 8.2270 119.9455 62.7537 37.1806 176.7246 91 Y 4.1711 7.4060 115.8465 58.6519 37.9650 176.7954 92 A 4.1341 7.7450 122.4299 54.1200 18.6895 177.9007 93 R 4.3084 7.4278 115.9366 55.1309 31.9037 173.9339 94 F 5.2804 8.7963 112.3297 59.1005 40.6693 172.9764 95 D 5.3055 9.0166 134.2092 54.8354 42.0838 178.1767 96 K 3.7141 8.1473 127.3419 59.2599 32.3937 178.1005 97 N 3.6283 7.6910 115.0848 55.2019 38.7726 174.7997 98 D 4.1301 7.6466 118.6030 53.5464 41.0834 176.1344 99 W 4.3771 8.2079 127.1545 58.9899 29.5553 177.3057 100 R 4.1642 7.2747 116.7534 55.6078 30.0304 176.5308 101 I 3.8169 8.2410 121.2994 61.9099 37.7212 175.9305 102 Q 4.6847 8.3508 124.1081 53.4556 30.6765 175.1662 103 P 4.5326 0.0000 0.0000 65.7291 31.7156 177.5930 104 A 3.8156 7.9749 119.9307 53.6788 18.5834 177.2364 105 E 4.4759 7.2831 114.8008 55.6717 31.3318 174.5036 106 F 4.4110 8.1715 122.8527 54.4009 36.5702 177.9986 107 Y 3.9546 8.0923 123.8316 58.1186 37.0526 168.1957 108 R 5.1418 7.8323 124.5623 56.7147 31.9468 172.7290 109 F 5.1002 8.0592 124.6009 55.6464 43.1387 173.7581 110 H 4.6439 6.8729 119.5700 54.1830 32.3146 171.9061 111 D 5.2814 8.7582 124.0920 52.3454 42.1922 176.7099 112 A 3.8044 9.0087 129.8163 55.2312 18.5446 176.7899 113 E 4.1645 7.7590 115.2334 58.0188 29.3305 174.6393 114 V 3.8916 8.7437 126.9382 63.5387 28.9706 171.1537 115 N 4.4836 7.8999 117.3316 56.2120 38.7592 177.4614 116 T 4.6391 7.9680 107.9150 60.2809 69.4262 173.4169 117 F 4.0910 6.9252 123.0045 59.8959 44.1154 171.3123 118 G 3.9204 9.0709 103.7940 46.7868 0.0000 172.1339 119 Y 4.8873 6.7243 115.1386 54.3258 41.3649 175.2705 120 F 4.3948 8.9698 117.2022 57.8396 39.2235 176.0882 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 M 8.30 4.32 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 2 E 10.11 4.13 0.00 2.06 2.34 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 2.10 2.27 0.00 3 Q 7.97 4.69 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.06 2.21 0.00 4 L 8.34 5.19 0.00 1.78 1.72 0.97 0.65 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 5 T 7.89 5.26 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 6 K 8.29 4.31 0.00 1.63 1.73 0.00 1.57 0.00 0.00 1.77 0.00 0.00 2.70 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.37 7.81 7 N 8.05 5.77 0.00 2.57 2.63 0.00 0.00 6.98 7.69 0.00 0.00 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 Q 8.32 4.19 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 *80 G 8.48 4.01 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 0.00 0.00 0.00 81 A 7.54 4.41 1.11 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 0.00 0.00 0.00 0.00 0.00 82 T 7.51 3.74 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 83 C 8.42 4.90 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 10.15 4.38 0.00 2.94 2.98 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 85 D 8.14 4.89 0.00 2.82 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 86 K 7.81 4.27 0.00 1.80 1.83 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.48 7.81 87 S 8.22 3.94 0.00 4.28 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 0.00 88 A 8.08 4.30 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 8.13 4.03 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 90 I 8.23 4.02 1.90 0.00 0.00 0.80 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 1.45 0.82 0.00 0.00 91 Y 7.41 4.17 0.00 3.07 2.78 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 92 A 7.75 4.13 1.34 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 0.00 0.00 0.00 93 R 7.43 4.31 0.00 1.80 1.99 0.00 3.31 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 94 F 8.80 5.28 0.00 2.96 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 9.02 5.31 0.00 2.82 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.15 3.71 0.00 1.67 1.76 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.53 7.81 97 N 7.69 3.63 0.00 2.66 2.53 0.00 0.00 6.86 8.06 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 98 D 7.65 4.13 0.00 2.46 2.43 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 0.00 0.00 0.00 0.00 99 W 8.21 4.38 0.00 3.30 3.18 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 0.00 100 R 7.27 4.16 0.00 1.90 1.90 0.00 3.38 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.80 0.00 101 I 8.24 3.82 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.47 0.86 0.00 0.00 102 Q 8.35 4.68 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.82 0.00 0.00 0.00 0.00 0.00 2.34 1.96 0.00 103 P 0.00 4.53 0.00 2.25 2.30 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 104 A 7.97 3.82 1.22 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 0.00 0.00 0.00 105 E 7.28 4.48 0.00 1.65 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 106 F 8.17 4.41 0.00 3.27 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.09 3.95 0.00 3.06 3.24 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 0.00 108 R 7.83 5.14 0.00 2.27 1.93 0.00 3.23 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 109 F 8.06 5.10 0.00 3.21 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 6.87 4.64 0.00 3.08 3.06 0.00 5.84 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.76 5.28 0.00 3.28 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 9.01 3.80 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 0.00 113 E 7.76 4.16 0.00 1.72 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.14 0.00 114 V 8.74 3.89 1.74 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 0.69 0.00 0.00 0.47 0.00 0.00 115 N 7.90 4.48 0.00 2.95 2.86 0.00 0.00 7.04 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 T 7.97 4.64 4.27 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 1.20 0.00 0.00 117 F 6.93 4.09 0.00 2.84 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 G 9.07 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 6.72 4.89 0.00 3.08 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.97 4.39 0.00 3.18 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 * Residues marked with a * may have inaccurate shift predictions.