NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.2061 8.3144 121.7868 53.8102 32.3384 174.3086 9 L 4.9644 6.7841 120.8418 51.5448 43.5763 170.3867 10 L 5.0227 7.6301 123.2743 54.3491 44.5675 174.1844 11 L 4.4842 8.4010 121.4904 54.7703 46.4445 172.2685 12 E 5.3650 8.6157 118.4112 54.7707 33.0924 174.3968 13 C 5.3408 8.6491 114.9797 57.2444 32.7910 173.3240 14 T 5.3869 8.3313 115.8964 58.8811 70.1469 174.9514 15 E 3.6003 8.7741 124.6406 56.8903 28.9171 177.6341 16 C 3.9923 9.0849 106.0059 61.6529 27.9380 173.0519 17 K 4.2591 8.8410 131.3184 56.4152 29.3180 176.9657 18 R 4.2872 7.0944 113.7646 56.9050 32.4302 172.1371 19 R 3.8428 8.7411 112.2056 56.2520 30.5494 175.7172 20 N 3.1751 6.4695 114.3048 49.6763 42.8567 172.8344 21 Y 6.2023 7.8241 115.2681 56.5374 42.3714 174.8304 22 A 4.6784 9.1071 123.0180 52.1721 21.5609 176.8656 23 T 3.3211 8.1080 102.7731 62.0702 65.1762 170.0113 24 E 4.3350 8.2590 122.3816 56.3735 33.0849 177.6198 25 K 4.6064 7.9476 118.7058 55.7029 33.1474 176.1723 26 N 4.6399 8.1814 122.6730 52.4792 39.7965 175.5682 27 K 4.6030 8.3767 115.6369 57.2241 32.5451 178.5031 28 R 4.0429 7.9063 121.9455 60.2854 32.1749 177.6586 29 N 3.7955 7.9759 107.8902 56.8182 36.0455 177.0527 30 T 4.0034 9.0712 108.7268 60.7729 70.3839 172.7226 31 P 4.0665 0.0000 0.0000 62.6184 28.9412 174.5362 32 N 4.8205 8.3372 121.0087 52.4061 42.2147 173.0300 33 K 4.1159 8.4841 120.1867 58.0477 31.2624 176.6818 34 L 4.1822 8.9596 123.9301 55.7454 38.8830 176.2934 35 E 4.1659 8.4933 119.8838 55.6072 28.3067 174.1171 36 L 4.8303 8.1418 124.3377 53.4659 42.7193 176.5400 37 R 4.7681 7.8777 119.1751 54.1476 34.2310 174.7791 38 K 4.5855 8.5808 122.9480 56.0572 33.8121 175.1221 39 Y 4.7360 7.9957 125.0690 57.8601 43.3609 171.6187 40 C 4.7410 6.9683 119.3351 56.5900 34.2454 171.2355 41 P 4.9197 0.0000 0.0000 60.1726 33.8633 175.4756 42 W 4.6377 8.7487 119.3695 60.1525 29.5504 177.0940 43 C 4.4148 7.4151 118.8289 59.6492 28.4950 169.2665 44 R 3.9272 7.7966 126.8491 54.7637 30.5332 176.8857 45 K 3.9042 9.1622 120.6402 57.5157 32.6367 175.6076 46 H 4.1237 7.8321 117.1815 53.7486 31.6688 174.5237 47 T 4.5565 8.1645 119.1303 63.5379 69.7177 176.5815 48 V 3.8310 8.6549 116.1524 63.0822 33.0911 175.1556 49 H 4.3342 8.2136 119.5582 55.4199 28.9201 173.1907 50 R 4.7668 8.0725 120.9720 56.0933 32.4634 173.6176 51 E 4.4908 8.1086 121.5264 56.7131 28.4912 178.0434 52 V 3.8284 8.8434 134.1895 64.3934 30.2486 170.5044 *53 K 4.1330 8.3756 126.8355 54.5434 32.2491 173.9404 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 K 8.31 4.21 0.00 1.70 1.86 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.49 7.81 9 L 6.78 4.96 0.00 1.89 1.62 0.91 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.63 5.02 0.00 1.62 1.57 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.40 4.48 0.00 1.64 1.51 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.62 5.36 0.00 2.06 1.88 0.00 0.00 0.00 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 2.11 0.00 13 C 8.65 5.34 0.00 3.02 3.05 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 14 T 8.33 5.39 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 1.27 0.00 0.00 15 E 8.77 3.60 0.00 1.81 1.82 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 2.23 2.23 0.00 16 C 9.08 3.99 0.00 3.14 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 17 K 8.84 4.26 0.00 1.81 2.31 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.28 7.81 18 R 7.09 4.29 0.00 1.85 1.91 0.00 3.25 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.58 0.00 19 R 8.74 3.84 0.00 1.80 1.89 0.00 3.13 0.00 0.00 3.11 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.46 0.00 20 N 6.47 3.18 0.00 2.67 2.76 0.00 0.00 6.69 7.56 0.00 0.00 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 Y 7.82 6.20 0.00 3.06 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 22 A 9.11 4.68 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.11 3.32 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 1.28 0.00 0.00 24 E 8.26 4.33 0.00 1.94 1.91 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 2.19 2.31 0.00 25 K 7.95 4.61 0.00 1.73 1.63 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.40 7.81 26 N 8.18 4.64 0.00 2.66 2.96 0.00 0.00 6.69 7.49 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 27 K 8.38 4.60 0.00 1.61 1.93 0.00 1.70 0.00 0.00 1.89 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.40 7.81 28 R 7.91 4.04 0.00 1.81 1.94 0.00 3.29 0.00 0.00 2.40 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 29 N 7.98 3.80 0.00 2.83 2.72 0.00 0.00 7.10 7.37 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 30 T 9.07 4.00 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 31 P 0.00 4.07 0.00 2.07 2.04 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 32 N 8.34 4.82 0.00 2.98 2.70 0.00 0.00 7.40 6.07 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 33 K 8.48 4.12 0.00 1.87 2.14 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.29 1.35 7.81 34 L 8.96 4.18 0.00 1.76 1.80 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.49 4.17 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 36 L 8.14 4.83 0.00 1.75 1.63 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.88 4.77 0.00 1.68 1.80 0.00 3.20 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 38 K 8.58 4.59 0.00 1.81 1.75 0.00 1.66 0.00 0.00 0.61 0.00 0.00 2.71 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.51 7.81 39 Y 8.00 4.74 0.00 2.91 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 6.97 4.74 0.00 2.36 2.17 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 41 P 0.00 4.92 0.00 2.25 2.06 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 42 W 8.75 4.64 0.00 3.21 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 43 C 7.42 4.41 0.00 3.07 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 44 R 7.80 3.93 0.00 2.02 1.95 0.00 3.46 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 45 K 9.16 3.90 0.00 1.79 1.85 0.00 1.90 0.00 0.00 1.94 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.47 7.81 46 H 7.83 4.12 0.00 3.58 2.99 0.00 5.47 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.16 4.56 4.28 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 1.22 0.00 0.00 48 V 8.65 3.83 2.12 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 0.84 0.00 0.00 0.97 0.00 0.00 49 H 8.21 4.33 0.00 3.73 3.39 0.00 5.76 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.07 4.77 0.00 1.77 1.66 0.00 3.37 0.00 0.00 3.25 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 51 E 8.11 4.49 0.00 2.03 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 2.32 2.43 0.00 52 V 8.84 3.83 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.99 0.00 0.00 *53 K 8.38 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.