NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1715 8.1127 119.7064 56.1045 31.7584 176.4276 *3 K 4.2176 8.9526 128.9123 57.5656 33.5459 176.6351 4 Q 4.4379 7.6578 116.6400 56.5958 28.7769 178.2468 *6 E 4.2565 8.3556 117.7795 56.7350 31.7054 177.3754 7 D 4.4883 8.2833 118.4082 57.4624 40.8816 179.3694 8 K 4.3546 7.9018 118.2797 56.8083 31.9767 177.6689 *10 E 4.4032 8.3747 118.0102 56.0838 31.3495 178.4719 11 E 4.6041 7.9474 117.9445 55.9644 29.2740 178.5818 *13 L 4.2983 8.1238 117.9236 54.4005 43.3304 178.7479 14 S 4.2788 8.2185 113.0111 61.4348 63.0507 176.5269 15 K 4.0901 7.9032 119.3818 56.6821 31.8216 177.9813 *17 Y 4.8684 8.0303 120.0315 58.2771 40.3474 177.6163 18 H 4.6623 8.0306 116.5752 56.2503 28.7364 177.8542 *20 E 4.2015 8.3595 119.3380 56.6866 31.5357 177.5235 21 N 4.3506 8.3695 116.1782 56.5707 38.5605 178.0203 22 E 4.2991 8.0398 115.6308 56.7254 29.3480 178.2128 *24 A 4.3607 8.2030 122.9987 52.4571 20.4272 180.3649 25 R 4.3065 7.8356 114.7041 56.8491 29.7388 178.5293 *27 K 4.1966 8.1968 116.5336 55.9440 34.1763 177.5233 28 K 4.0967 8.2937 119.7128 59.6379 32.1482 180.2359 29 L 4.3826 7.8048 117.5100 54.8668 40.9156 178.7246 *31 G 3.9949 8.2364 108.9841 45.6347 0.0000 173.5902 32 E 4.1280 8.2507 123.1722 56.3129 29.4051 176.6073 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 R 8.11 4.17 0.00 1.89 1.06 0.00 3.12 0.00 0.00 3.33 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 *3 K 8.95 4.22 0.00 1.90 1.83 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.04 7.81 4 Q 7.66 4.44 0.00 2.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.30 6.17 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 *6 E 8.36 4.26 0.00 2.21 2.04 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 2.21 2.34 0.00 7 D 8.28 4.49 0.00 2.89 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 8 K 7.90 4.35 0.00 1.76 1.79 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.46 7.81 *10 E 8.37 4.40 0.00 2.26 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 11 E 7.95 4.60 0.00 2.11 2.11 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 2.32 2.25 0.00 *13 L 8.12 4.30 0.00 1.89 1.73 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.22 4.28 0.00 4.05 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.90 4.09 0.00 1.82 1.91 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.62 7.81 *17 Y 8.03 4.87 0.00 3.07 3.09 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 0.00 0.00 0.00 18 H 8.03 4.66 0.00 3.39 3.32 0.00 5.89 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.36 4.20 0.00 2.05 1.92 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 2.18 2.32 0.00 21 N 8.37 4.35 0.00 2.74 2.76 0.00 0.00 7.01 7.02 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 22 E 8.04 4.30 0.00 1.99 1.96 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 2.47 2.40 0.00 *24 A 8.20 4.36 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 25 R 7.84 4.31 0.00 1.93 2.03 0.00 3.12 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 *27 K 8.20 4.20 0.00 1.86 1.88 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.42 7.81 28 K 8.29 4.10 0.00 1.77 1.97 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.40 7.81 29 L 7.80 4.38 0.00 1.66 1.67 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 *31 G 8.24 3.99 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 0.00 0.00 0.00 32 E 8.25 4.13 0.00 2.14 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 2.34 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.