NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3546 8.1233 123.5819 52.0789 20.0564 178.0140 2 E 3.8438 7.9379 124.4177 58.7591 29.9473 177.7576 3 I 3.7530 8.0268 120.9425 65.1488 37.6326 178.4906 4 E 4.0213 8.1261 118.5906 61.0503 29.5907 180.5388 5 Q 4.1164 8.2615 120.0708 59.0543 29.0969 178.2190 6 A 4.1583 8.2179 121.9716 54.9787 18.3489 179.4636 7 K 3.8541 8.1851 118.1893 59.5170 32.2797 178.8557 8 K 3.9340 8.2613 119.9812 59.6200 32.1346 178.6214 9 E 4.0623 8.3301 118.7683 59.4736 29.3380 179.4097 10 I 3.7028 8.0334 119.6962 64.3448 37.1135 178.2338 11 A 4.0071 8.4053 122.0241 55.4782 18.1712 179.0932 12 Y 4.2047 8.2010 117.9604 60.8014 38.8573 178.1735 13 L 3.8165 7.9874 119.9810 57.6970 41.6378 179.5408 14 I 3.6782 7.9517 119.8977 64.2513 36.8379 178.4033 15 K 3.9373 8.0212 119.4201 59.4440 32.0822 178.7289 16 K 3.9999 7.8119 117.6841 59.1534 32.2237 178.9781 17 A 4.1285 7.9959 121.0878 54.8912 18.2207 180.0448 18 K 3.8039 8.0621 114.7999 57.7125 31.9120 177.7569 *20 E 4.2029 8.0453 119.5482 55.9360 31.5420 177.0659 21 I 3.8783 7.9291 119.3374 64.5299 37.4007 179.6158 22 L 4.2512 8.0346 119.0315 55.0547 40.8639 178.9932 *24 E 4.3206 8.2774 120.6181 56.5814 31.6850 178.5065 25 I 3.7006 7.9711 119.6505 64.2185 37.0079 178.3495 26 K 3.9254 8.0661 120.4411 59.5311 32.0646 179.0769 27 K 4.1201 8.0248 118.1024 59.2148 32.0715 179.0972 28 A 3.9755 8.1421 121.2507 54.8387 18.2690 179.3167 29 K 3.7711 8.2163 118.3575 60.0970 32.0280 178.9619 30 Q 3.9899 8.1096 116.8422 58.9229 28.6468 178.1689 31 E 4.0651 8.1157 119.6574 58.8321 29.7055 178.4984 32 I 4.0251 7.5579 118.4678 63.0612 37.7870 175.7034 33 A 4.3322 8.4270 125.8809 52.1600 19.0595 175.8907 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 8.12 4.35 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.94 3.84 0.00 2.10 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 2.40 2.46 0.00 3 I 8.03 3.75 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.78 0.91 0.00 0.00 4 E 8.13 4.02 0.00 1.97 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 2.31 1.94 0.00 5 Q 8.26 4.12 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 6 A 8.22 4.16 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 7 K 8.19 3.85 0.00 1.90 2.00 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.60 7.81 8 K 8.26 3.93 0.00 1.93 1.98 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.47 7.81 9 E 8.33 4.06 0.00 2.25 2.03 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 2.37 2.44 0.00 10 I 8.03 3.70 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 0.92 0.00 0.00 11 A 8.41 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.20 4.20 0.00 3.08 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 3.82 0.00 1.91 1.65 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.95 3.68 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.83 0.91 0.00 0.00 15 K 8.02 3.94 0.00 1.88 2.02 0.00 1.88 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.51 7.81 16 K 7.81 4.00 0.00 1.63 1.66 0.00 1.47 0.00 0.00 1.16 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.17 0.84 7.81 17 A 8.00 4.13 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 18 K 8.06 3.80 0.00 1.86 1.96 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 *20 E 8.05 4.20 0.00 2.04 1.97 0.00 0.00 0.00 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 2.32 0.00 21 I 7.93 3.88 1.86 0.00 0.00 0.84 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 0.62 0.90 0.00 0.00 22 L 8.03 4.25 0.00 1.69 1.67 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 *24 E 8.28 4.32 0.00 2.01 2.03 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 2.52 2.28 0.00 25 I 7.97 3.70 1.99 0.00 0.00 0.86 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 0.73 0.91 0.00 0.00 26 K 8.07 3.93 0.00 1.83 1.80 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 27 K 8.02 4.12 0.00 1.83 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.50 7.81 28 A 8.14 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.22 3.77 0.00 1.95 2.04 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.50 7.81 30 Q 8.11 3.99 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 31 E 8.12 4.07 0.00 2.04 2.16 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 2.39 0.00 32 I 7.56 4.03 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 0.91 0.00 0.00 33 A 8.43 4.33 1.19 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.