NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3677 8.2644 123.5874 52.1938 21.7820 177.8592 2 T 3.5427 8.2308 110.7265 62.7598 66.1803 172.5060 3 C 5.0390 5.7800 118.6716 57.2331 32.5394 172.8474 4 Y 4.5004 8.5932 124.5841 58.0115 41.3573 177.6425 5 C 4.7556 8.9855 129.8397 59.4539 28.7213 172.2531 6 R 4.6959 8.7448 122.7498 54.5945 33.0488 177.8346 7 T 4.1127 8.8178 117.4358 66.4752 69.4204 175.6050 8 G 4.0692 7.7033 112.8424 45.3102 0.0000 173.0158 9 R 4.1059 8.2575 120.5856 55.1733 31.3256 176.0057 *16 L 4.1951 8.1433 121.3259 55.5524 42.0304 176.4695 17 S 4.7177 10.2533 122.6544 57.7202 65.0907 176.3363 18 G 4.0821 6.7301 109.0143 45.7058 0.0000 171.8087 19 V 4.8945 7.9318 124.2458 61.1962 34.7821 174.6582 20 C 4.9641 9.2750 124.4923 57.8994 31.1052 172.3264 21 E 5.2014 8.8734 123.6207 54.5227 31.7570 175.1043 22 I 4.5342 8.6860 127.1189 60.8923 40.7901 175.7962 23 S 3.4735 9.9930 122.8244 59.7688 60.2425 173.1628 24 G 3.9595 8.4023 103.9225 45.6210 0.0000 173.1713 25 R 4.6126 7.9107 117.7505 53.8977 33.5946 174.1499 26 L 5.2324 7.8272 119.1750 53.3248 44.3880 175.4411 27 Y 4.9017 8.9094 119.2425 56.0548 43.0709 174.8371 28 R 4.4350 8.9507 120.7425 56.2580 31.7671 175.3905 29 L 5.0081 8.8431 125.6935 53.8648 43.6666 176.1850 30 C 4.9199 8.7966 122.5938 59.5260 29.6584 174.0599 31 C 4.6727 8.1239 122.5273 59.9959 28.2186 173.7258 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 A 8.26 4.37 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 2 T 8.23 3.54 4.23 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 1.40 0.00 0.00 3 C 5.78 5.04 0.00 2.60 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 4 Y 8.59 4.50 0.00 3.06 2.33 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.99 4.76 0.00 2.51 2.71 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 6 R 8.74 4.70 0.00 1.81 1.84 0.00 3.14 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 7 T 8.82 4.11 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 8 G 7.70 4.07 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 0.00 9 R 8.26 4.11 0.00 1.80 1.87 0.00 3.30 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 1.61 1.68 0.00 *16 L 8.14 4.20 0.00 1.63 1.67 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17 S 10.25 4.72 0.00 3.86 3.89 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 18 G 6.73 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.93 4.89 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 0.87 0.00 0.00 0.94 0.00 0.00 20 C 9.28 4.96 0.00 3.06 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 21 E 8.87 5.20 0.00 1.95 1.83 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 2.20 2.43 0.00 22 I 8.69 4.53 2.07 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.79 0.94 0.00 0.00 23 S 9.99 3.47 0.00 4.01 3.91 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 24 G 8.40 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 4.61 0.00 2.00 1.37 0.00 3.10 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 26 L 7.83 5.23 0.00 1.34 1.45 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.91 4.90 0.00 2.93 3.06 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 28 R 8.95 4.44 0.00 1.84 1.89 0.00 3.36 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 29 L 8.84 5.01 0.00 1.71 1.66 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.80 4.92 0.00 2.94 2.92 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 31 C 8.12 4.67 0.00 2.97 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 * Residues marked with a * may have inaccurate shift predictions.