NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4536 8.1933 115.2931 57.6172 64.2354 175.1541 5 L 3.9625 7.9677 119.0029 56.8923 41.6944 176.8444 6 S 4.1818 8.1268 113.3462 60.8991 63.4452 172.9240 7 Y 4.7845 7.6681 119.8556 55.9810 40.5620 174.5173 8 R 4.4559 6.6959 119.1666 54.8002 32.0730 175.5257 9 C 4.3530 8.3104 117.0870 56.1581 40.8197 173.2357 10 P 3.7620 0.0000 0.0000 64.4647 31.2733 176.7899 11 C 4.7873 7.3071 116.4759 54.9868 41.6393 174.1933 12 R 3.7904 8.5716 125.1251 58.5047 29.9647 176.3995 13 F 4.1443 6.7314 110.1895 56.4283 39.5573 172.2028 14 F 5.2717 8.4941 119.4219 55.9871 40.2743 175.9911 15 E 4.6264 9.3198 124.4926 56.3142 30.3352 176.7554 16 S 4.6310 8.9268 118.1522 57.1058 66.1481 173.1697 17 H 3.9969 8.5909 113.9932 56.5900 26.2476 175.1300 18 V 3.7934 7.4625 117.6023 62.3160 31.5522 175.0826 19 A 4.2704 8.6956 130.8871 51.5907 19.5094 178.3517 20 R 2.0000 7.0401 123.4995 58.6060 30.9309 178.0755 21 A 3.8852 7.4325 119.3734 54.5620 18.6279 177.3694 22 N 4.5501 8.8572 114.1549 54.0000 39.3935 174.4348 23 V 4.6931 7.0246 110.3508 60.6200 33.1584 175.5483 24 K 4.3448 9.0250 126.0175 58.4022 33.2568 176.1198 25 H 4.9666 7.9514 117.6597 54.6600 33.4912 172.1359 26 L 5.2377 8.1769 123.3283 52.8110 44.8962 175.7747 27 K 4.6297 9.0656 123.8051 54.6310 35.8452 175.0086 28 I 4.4342 8.4960 128.0467 61.0466 38.2695 175.0051 29 L 4.5316 9.0739 127.8754 53.1464 43.4317 175.5489 30 N 5.3958 8.6154 122.8592 51.7764 38.1911 173.1252 31 T 4.5630 7.8100 112.3154 58.8896 71.1971 173.6914 32 P 4.2411 0.0000 0.0000 64.2036 31.8100 175.7947 33 N 4.3391 8.9567 117.0918 54.2717 36.2184 174.6391 34 C 5.0816 7.7961 113.3918 54.5865 43.8836 174.1897 35 A 4.2749 8.4387 125.0050 51.7822 18.6783 177.2532 36 L 4.3203 8.3569 122.2193 55.7457 42.8269 176.3962 37 Q 4.7725 8.9381 123.4490 54.2012 33.5749 173.9786 38 I 4.8731 8.2367 122.0283 59.6027 40.0364 174.4837 39 V 4.8126 8.7723 127.0605 61.0287 34.0648 174.0041 40 A 5.2391 9.2717 129.5760 50.1677 21.9224 175.0861 41 R 4.8345 8.8717 123.0085 55.2488 31.6804 175.4106 42 L 4.9248 8.7002 126.5639 53.7256 42.7432 177.9448 43 K 3.9919 9.4050 123.7495 59.1844 33.0721 177.0492 44 N 4.9018 8.1821 117.0825 51.8611 39.5341 173.6978 45 N 4.4999 9.2253 119.2223 51.5935 35.4167 174.0121 46 N 4.2065 7.4249 114.0992 53.9623 37.1334 174.0574 47 R 4.0921 9.3121 119.3072 56.4898 31.4219 174.7369 48 Q 5.0093 8.5790 126.8580 54.7389 30.5906 174.9164 49 V 4.5281 8.8982 119.3475 59.6588 36.3169 174.0293 50 C 5.0734 8.6805 122.1486 56.5277 41.3033 172.5711 51 I 4.9021 8.3168 117.6372 58.5224 40.3291 175.1117 52 D 3.3700 8.3733 123.4681 53.5126 40.9871 175.3025 53 P 4.2837 0.0000 0.0000 64.5927 31.4814 177.9015 54 K 4.0265 7.5280 116.8845 57.8444 32.4330 178.0430 55 L 3.9157 7.9447 122.6648 55.5887 42.9150 178.2253 56 K 3.8947 8.8284 128.8740 60.0561 31.5846 177.0878 57 W 4.4949 8.1972 117.4680 59.2450 28.1668 178.2011 58 I 2.9571 6.4370 120.0468 63.9567 36.4042 178.1372 59 Q 3.9231 7.8291 118.6074 59.1786 28.5055 178.9083 60 E 3.9801 8.3943 119.5726 59.3485 29.4656 178.8681 61 Y 4.1113 8.3839 119.9191 60.7298 38.8565 178.0694 62 L 3.9108 8.1117 119.8777 57.7106 41.6909 179.2670 63 E 3.9118 8.3648 118.6304 59.6004 29.2724 179.6963 64 K 3.9987 8.0833 116.9540 59.1839 32.1016 179.1691 65 A 3.9717 7.5447 120.1998 54.8359 18.5158 178.8916 66 L 4.2221 7.8927 117.8825 56.8438 42.6163 177.3040 *67 N 4.5545 8.3508 120.0548 52.4268 38.3297 176.5590 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 4 S 8.19 4.45 0.00 3.89 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 7.97 3.96 0.00 1.75 1.73 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.13 4.18 0.00 3.88 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.67 4.78 0.00 2.93 2.82 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 8 R 6.70 4.46 0.00 1.78 1.72 0.00 3.01 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.44 0.00 9 C 8.31 4.35 0.00 2.94 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 10 P 0.00 3.76 0.00 2.14 2.13 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 11 C 7.31 4.79 0.00 2.94 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.57 3.79 0.00 1.76 2.22 0.00 3.36 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 13 F 6.73 4.14 0.00 2.96 2.86 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 0.00 0.00 0.00 14 F 8.49 5.27 0.00 3.06 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 15 E 9.32 4.63 0.00 1.89 1.99 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 2.18 2.30 0.00 16 S 8.93 4.63 0.00 3.82 4.05 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 17 H 8.59 4.00 0.00 3.33 3.42 0.00 5.70 0.00 0.00 0.00 0.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.46 3.79 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 0.86 0.00 0.00 1.06 0.00 0.00 19 A 8.70 4.27 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.04 2.00 0.00 0.67 1.08 0.00 2.81 0.00 0.00 2.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.33 0.00 21 A 7.43 3.89 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.86 4.55 0.00 2.63 2.76 0.00 0.00 6.96 7.59 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 23 V 7.02 4.69 2.14 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 0.80 0.00 0.00 0.97 0.00 0.00 24 K 9.03 4.34 0.00 1.72 1.84 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.38 7.81 25 H 7.95 4.97 0.00 3.20 3.07 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.18 5.24 0.00 1.46 1.46 0.77 0.77 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 27 K 9.07 4.63 0.00 1.85 1.62 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.43 7.81 28 I 8.50 4.43 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 1.33 0.64 0.91 0.00 0.00 29 L 9.07 4.53 0.00 1.60 1.60 0.93 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.62 5.40 0.00 2.67 2.69 0.00 0.00 7.17 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.81 4.56 4.45 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 1.26 0.00 0.00 32 P 0.00 4.24 0.00 1.90 1.97 0.00 3.95 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 1.96 2.10 0.00 33 N 8.96 4.34 0.00 2.95 2.96 0.00 0.00 6.76 7.66 0.00 0.00 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 C 7.80 5.08 0.00 3.13 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.44 4.27 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 36 L 8.36 4.32 0.00 1.66 1.59 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.94 4.77 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.54 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 38 I 8.24 4.87 1.73 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 1.10 0.81 0.82 0.00 0.00 39 V 8.77 4.81 2.09 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 1.07 0.00 0.00 0.94 0.00 0.00 40 A 9.27 5.24 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 41 R 8.87 4.83 0.00 1.93 1.83 0.00 3.11 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 42 L 8.70 4.92 0.00 1.83 1.56 0.94 0.65 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 43 K 9.41 3.99 0.00 1.95 1.94 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.44 1.28 7.81 44 N 8.18 4.90 0.00 2.79 2.79 0.00 0.00 6.35 8.04 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 45 N 9.23 4.50 0.00 2.88 3.42 0.00 0.00 6.34 8.04 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 46 N 7.42 4.21 0.00 2.70 2.91 0.00 0.00 6.91 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 9.31 4.09 0.00 1.88 1.87 0.00 3.12 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 48 Q 8.58 5.01 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.49 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 49 V 8.90 4.53 2.07 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 0.81 0.00 0.00 1.00 0.00 0.00 50 C 8.68 5.07 0.00 2.97 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 51 I 8.32 4.90 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.54 0.98 0.00 0.00 52 D 8.37 3.37 0.00 2.59 2.42 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 0.00 0.00 0.00 0.00 53 P 0.00 4.28 0.00 1.88 1.91 0.00 3.10 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 54 K 7.53 4.03 0.00 1.69 1.80 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.38 7.81 55 L 7.94 3.92 0.00 1.26 1.21 0.92 0.87 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 56 K 8.83 3.89 0.00 1.76 1.84 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.09 7.81 57 W 8.20 4.49 0.00 3.61 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 58 I 6.44 2.96 1.45 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.29 0.58 0.00 0.00 59 Q 7.83 3.92 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 60 E 8.39 3.98 0.00 2.12 2.09 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 2.37 2.35 0.00 61 Y 8.38 4.11 0.00 3.33 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.11 3.91 0.00 1.90 1.67 0.87 0.80 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 63 E 8.36 3.91 0.00 2.15 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 2.31 2.54 0.00 64 K 8.08 4.00 0.00 1.75 1.81 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.49 7.81 65 A 7.54 3.97 1.07 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 0.00 0.00 66 L 7.89 4.22 0.00 1.65 1.69 0.89 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 *67 N 8.35 4.55 0.00 2.43 2.61 0.00 0.00 6.91 7.31 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 * Residues marked with a * may have inaccurate shift predictions.