NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5752 8.2227 120.1916 54.0401 42.2979 176.1751 2 T 3.7221 8.3715 119.5802 63.9045 67.2122 174.7100 3 L 4.0160 9.7840 124.2935 57.8116 42.5462 177.6040 4 D 4.3487 8.2215 118.3777 57.6352 40.8573 178.1124 5 E 3.8960 8.3135 119.1540 59.6816 29.5211 178.9700 6 A 4.0792 7.7387 120.2303 54.9811 18.4206 179.2184 7 E 3.9901 8.7939 118.3889 59.1946 29.5893 179.1901 8 R 3.9224 8.2537 119.2169 59.5723 30.2675 178.3507 9 Q 4.0225 8.1903 117.8841 58.7498 28.6270 178.8660 10 W 4.1475 8.4814 129.3383 60.3106 30.6891 177.8233 11 K 3.5851 8.3033 119.3768 59.3328 31.6576 178.3382 12 A 3.9158 8.0464 120.9266 55.5150 18.4383 179.6294 13 E 3.9371 8.1395 116.6361 59.0073 29.3991 179.5004 14 F 4.0161 8.0077 121.5792 61.4987 39.3860 176.8990 15 H 4.1190 8.2338 116.1814 58.9614 28.5179 177.8609 16 R 3.8391 7.9458 120.2814 58.8428 29.5677 178.4293 17 W 3.8217 7.7703 127.6519 60.3786 30.8006 177.8545 18 S 4.1522 8.1646 114.2680 61.4772 62.5526 176.3185 19 S 4.3380 7.9097 115.3417 61.5136 62.1868 177.0086 20 Y 4.3842 7.7402 117.3660 58.4442 37.6631 178.6226 *22 V 4.0074 7.7383 120.2844 63.4088 33.5655 177.1373 23 H 4.1334 8.3041 116.7369 58.5818 28.4442 177.7228 24 W 3.9285 8.3796 130.1179 60.3124 30.5847 178.0353 25 K 3.6664 8.2894 119.2163 59.3646 31.7072 177.7723 26 N 4.1457 8.0728 117.3076 56.8346 38.6528 176.2371 27 Q 3.8807 7.8142 120.0646 59.3567 29.2021 178.5399 28 F 4.0530 7.6466 121.2209 61.4342 39.5526 176.9956 29 D 4.2513 8.5306 118.7100 57.4789 40.2807 178.5213 30 H 4.3124 7.9512 116.2654 58.7250 28.8243 177.0036 31 Y 4.0584 7.7547 119.8257 60.3988 37.6955 176.8221 32 S 4.3228 7.2492 119.5933 57.9315 62.6821 179.0808 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 D 8.22 4.58 0.00 2.68 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 3.72 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 1.20 0.00 0.00 3 L 9.78 4.02 0.00 1.80 1.66 0.89 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.22 4.35 0.00 2.92 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 5 E 8.31 3.90 0.00 2.10 1.98 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 2.33 2.41 0.00 6 A 7.74 4.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.79 3.99 0.00 2.23 2.19 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 2.36 2.49 0.00 8 R 8.25 3.92 0.00 2.04 2.25 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 9 Q 8.19 4.02 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 10 W 8.48 4.15 0.00 3.43 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.30 3.59 0.00 2.18 1.72 0.00 1.69 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.30 7.81 12 A 8.05 3.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 3.94 0.00 2.05 1.93 0.00 0.00 0.00 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 2.46 0.00 14 F 8.01 4.02 0.00 1.88 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.23 4.12 0.00 3.30 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.95 3.84 0.00 1.81 1.77 0.00 2.95 0.00 0.00 2.99 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.24 0.00 17 W 7.77 3.82 0.00 3.38 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.16 4.15 0.00 4.05 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.91 4.34 0.00 3.94 4.11 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 0.00 0.00 0.00 20 Y 7.74 4.38 0.00 2.99 2.82 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 0.00 0.00 0.00 *22 V 7.74 4.01 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.99 0.00 0.00 23 H 8.30 4.13 0.00 3.27 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 W 8.38 3.93 0.00 3.50 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.29 3.67 0.00 2.09 1.87 0.00 1.93 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.72 1.61 7.81 26 N 8.07 4.15 0.00 2.98 2.82 0.00 0.00 6.81 6.79 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 27 Q 7.81 3.88 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 28 F 7.65 4.05 0.00 1.78 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.53 4.25 0.00 2.72 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 30 H 7.95 4.31 0.00 3.11 3.14 0.00 5.68 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 7.75 4.06 0.00 2.75 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 32 S 7.25 4.32 0.00 3.69 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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.