NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2019 8.1127 119.0729 56.0514 31.2670 176.9093 *3 K 4.2937 8.7120 116.6457 58.2049 33.5536 177.5294 4 Q 4.0650 7.6289 116.9861 56.3973 28.5423 178.2190 *6 E 4.2756 8.3294 118.5717 56.6578 31.7008 177.4440 7 D 4.5056 8.0787 118.3251 57.0596 41.1010 178.9429 8 K 4.3445 7.8517 119.2765 56.6509 31.9054 177.9238 *10 E 4.3890 8.3901 117.1485 56.2139 31.3349 178.9552 11 E 3.8838 8.1509 116.7578 56.7925 29.0755 178.3197 *13 L 4.2708 7.9953 118.4332 54.2712 43.8194 178.1910 14 S 4.4465 8.0047 112.6444 60.7628 62.7178 175.4764 15 K 4.4971 8.0960 119.3577 56.9787 32.0279 177.7970 *17 Y 4.8652 8.0283 120.6107 58.2416 40.5111 176.8931 18 H 4.1635 8.2984 115.3603 57.0614 29.4278 176.1694 *20 E 4.2013 8.2490 119.3364 55.9571 31.2124 176.8027 21 N 4.3525 8.2206 116.2308 56.4192 38.6268 177.6875 22 E 4.3074 7.8664 115.8505 56.6701 29.5503 178.1472 *24 A 4.3931 8.2043 123.0352 52.2647 20.4604 179.4819 25 R 4.5548 7.4123 113.7543 56.5052 30.7435 178.7790 *27 K 4.1668 8.1373 120.4647 56.4106 34.0540 176.7139 28 K 4.0787 7.8864 118.5590 59.4423 32.2683 179.4503 29 L 4.1445 8.1727 120.9116 55.0652 41.1131 178.5537 *31 G 3.8719 8.1004 107.0389 44.2685 0.0000 173.5142 32 E 4.2550 8.2738 124.0471 56.4322 29.8212 175.6470 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 4.20 0.00 1.75 1.30 0.00 3.25 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 *3 K 8.71 4.29 0.00 1.85 1.86 0.00 1.57 0.00 0.00 1.81 0.00 0.00 3.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.53 7.81 4 Q 7.63 4.07 0.00 2.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.30 6.16 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 *6 E 8.33 4.28 0.00 2.22 2.05 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 2.21 2.34 0.00 7 D 8.08 4.51 0.00 2.90 2.70 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 0.00 0.00 0.00 0.00 8 K 7.85 4.34 0.00 1.86 1.80 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 *10 E 8.39 4.39 0.00 2.27 2.01 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 2.28 2.30 0.00 11 E 8.15 3.88 0.00 2.07 2.08 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 2.31 2.28 0.00 *13 L 8.00 4.27 0.00 1.90 1.74 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.00 4.45 0.00 3.97 4.01 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 K 8.10 4.50 0.00 1.78 1.85 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.58 7.81 *17 Y 8.03 4.87 0.00 3.10 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.16 0.00 3.45 3.46 0.00 5.86 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.25 4.20 0.00 2.03 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 2.17 2.37 0.00 21 N 8.22 4.35 0.00 2.69 2.63 0.00 0.00 6.65 6.05 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 22 E 7.87 4.31 0.00 1.97 1.89 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 2.26 2.12 0.00 *24 A 8.20 4.39 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.41 4.55 0.00 1.88 1.90 0.00 3.30 0.00 0.00 3.04 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 *27 K 8.14 4.17 0.00 1.73 2.03 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.43 7.81 28 K 7.89 4.08 0.00 1.89 1.98 0.00 1.84 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.36 7.81 29 L 8.17 4.14 0.00 1.81 1.64 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 *31 G 8.10 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 0.00 0.00 0.00 32 E 8.27 4.26 0.00 2.04 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 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.