NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4001 8.3049 120.3274 55.3723 33.4258 173.7347 2 I 4.0753 7.9820 120.3731 59.1209 38.1365 174.0360 3 S 4.1497 9.5858 123.5481 59.3830 63.8259 173.1440 4 S 4.7143 8.1666 123.6503 57.4478 66.4303 173.3853 5 V 4.3522 8.0447 123.6370 61.9746 32.2092 175.7033 6 C 4.0912 8.9188 114.6301 63.2058 28.1880 174.7501 7 V 3.7705 7.4745 116.8463 62.8339 32.0327 174.7179 8 S 4.5182 8.4098 116.9408 58.0961 62.0947 174.6640 9 S 3.8353 8.4464 111.3771 58.9356 59.9914 171.7595 10 Y 4.4339 7.7902 118.2442 56.5458 38.5497 177.0433 11 R 3.5612 8.6803 119.0903 59.3811 30.1626 177.9767 12 G 3.5348 5.6167 105.5850 45.7244 0.0000 173.6267 13 R 4.3386 7.1373 116.1394 56.3884 30.2947 178.9780 14 K 4.0360 7.8957 117.6987 58.3216 33.0399 177.5255 *16 G 3.6771 7.6221 106.0217 45.1470 0.0000 172.5190 17 N 4.4509 8.6052 120.2329 52.5488 37.4553 175.1552 18 K 4.2956 8.2610 123.1378 54.9882 32.9398 175.8491 19 P 4.3808 0.0000 0.0000 64.5812 31.2200 174.9714 20 P 4.6960 0.0000 0.0000 60.5779 30.8463 174.6326 *22 K 4.1682 7.6474 125.4789 57.6226 32.9302 175.6946 23 T 4.4987 7.5049 113.6530 63.4090 70.6103 175.1125 24 C 4.0542 7.5120 118.7913 62.6513 28.7177 175.0274 25 L 3.9531 8.1602 119.4565 58.0447 41.8676 180.0923 26 K 3.9624 8.2844 114.7716 57.2194 32.8074 175.2062 27 E 4.5366 8.0303 115.7809 59.0917 31.3817 176.0019 28 E 3.5384 8.9218 114.9762 58.0976 28.6814 174.8385 29 M 3.2465 7.9985 112.0887 56.7388 31.4523 175.9154 30 A 4.0297 8.2701 125.4148 51.9354 19.5080 176.8376 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 4.40 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 2 I 7.98 4.08 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.20 0.92 0.00 0.00 3 S 9.59 4.15 0.00 3.86 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.17 4.71 0.00 3.81 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 5 V 8.04 4.35 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 0.86 0.00 0.00 0.94 0.00 0.00 6 C 8.92 4.09 0.00 2.98 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 7 V 7.47 3.77 2.15 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 0.87 0.00 0.00 0.97 0.00 0.00 8 S 8.41 4.52 0.00 3.82 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 3.84 0.00 4.11 3.97 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 10 Y 7.79 4.43 0.00 3.31 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 11 R 8.68 3.56 0.00 1.78 2.01 0.00 3.34 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 12 G 5.62 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.14 4.34 0.00 1.76 1.94 0.00 3.37 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.95 0.00 14 K 7.90 4.04 0.00 1.74 1.89 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.17 1.47 7.81 *16 G 7.62 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.61 4.45 0.00 2.72 2.84 0.00 0.00 7.03 7.67 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 18 K 8.26 4.30 0.00 1.75 1.78 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.38 7.81 19 P 0.00 4.38 0.00 2.17 2.20 0.00 3.71 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 1.99 1.97 0.00 20 P 0.00 4.70 0.00 2.16 2.08 0.00 3.75 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 1.87 1.94 0.00 *22 K 7.65 4.17 0.00 1.78 1.88 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.71 7.81 23 T 7.50 4.50 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 24 C 7.51 4.05 0.00 3.04 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 L 8.16 3.95 0.00 1.92 1.72 1.01 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.28 3.96 0.00 1.94 2.07 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.71 1.37 7.81 27 E 8.03 4.54 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 28 E 8.92 3.54 0.00 2.15 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 0.00 2.20 2.28 0.00 29 M 8.00 3.25 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.68 0.00 30 A 8.27 4.03 1.20 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.