NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2995 8.2431 120.8671 57.2144 31.2096 175.6693 2 G 3.7868 8.4321 117.2923 44.7179 0.0000 171.5182 3 E 4.4989 9.0269 129.6041 54.1947 30.7042 172.2071 4 C 5.0071 8.3469 123.8883 56.9511 35.1633 172.2393 5 K 4.9202 8.5090 123.7829 55.2018 34.4614 175.1033 6 F 4.5319 8.8462 123.6693 56.0193 41.6475 175.2309 7 T 4.3219 8.6244 119.2566 60.8580 69.7266 174.5524 8 V 4.3404 7.4970 129.5357 60.3382 31.2507 177.5777 *10 G 3.8176 7.8323 105.4262 45.3371 0.0000 171.2162 11 R 4.2840 7.5203 117.6041 54.4228 31.7777 175.6697 12 T 4.4212 7.9341 119.8457 62.7176 69.6354 173.4596 13 A 4.8525 8.0331 129.0652 49.6089 21.4646 174.9207 14 L 5.1795 8.6939 122.1269 54.0488 44.7298 175.3097 15 N 5.0288 8.1962 117.7647 52.3883 39.5257 175.3370 16 T 4.2584 8.6221 119.4300 63.9076 69.5196 175.7784 *18 A 4.1484 7.8096 123.3661 51.4533 20.4134 176.5800 19 V 4.5393 7.6949 111.1237 60.5421 34.5847 174.5354 20 Q 4.9210 8.8131 121.7501 54.5271 30.8729 174.5976 21 K 4.7633 8.9576 125.2796 54.5904 34.8415 174.7327 22 W 4.9476 9.0877 127.7821 55.3422 31.6571 174.2608 23 H 5.3069 8.8209 122.6306 53.9291 31.2069 173.5258 24 F 5.1060 9.4330 121.8275 55.7309 41.7037 174.7937 25 V 4.8640 8.5196 116.4188 59.7453 34.2076 175.2530 26 L 4.5482 9.4651 124.7703 55.0937 44.9103 177.5801 *28 G 3.9763 8.0239 105.0688 44.9928 0.0000 171.8959 29 Y 4.3463 8.2098 118.8342 56.2985 38.0919 174.6444 30 K 5.1111 8.5815 124.7334 55.2478 34.8217 174.9637 31 C 4.9098 9.1173 125.7665 57.2222 34.4674 171.9518 32 E 5.1124 8.8553 126.0948 54.3102 32.0527 174.7527 33 I 4.8094 8.8673 120.3549 59.0005 40.8247 174.2655 34 L 5.3412 8.9408 125.9597 52.7616 43.1366 176.1322 35 A 4.3958 8.5967 124.5224 51.8351 19.4651 175.4997 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 8.24 4.30 0.00 1.81 1.97 0.00 3.23 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 2 G 8.43 3.79 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 0.00 0.00 0.00 3 E 9.03 4.50 0.00 1.92 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 2.20 2.25 0.00 4 C 8.35 5.01 0.00 2.97 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.51 4.92 0.00 1.67 1.70 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.19 1.31 7.81 6 F 8.85 4.53 0.00 2.90 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 7 T 8.62 4.32 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 1.15 0.00 0.00 8 V 7.50 4.34 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 0.85 0.00 0.00 0.97 0.00 0.00 *10 G 7.83 3.82 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 0.00 0.00 0.00 11 R 7.52 4.28 0.00 0.86 1.18 0.00 3.19 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.82 0.00 12 T 7.93 4.42 4.09 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 1.09 0.00 0.00 13 A 8.03 4.85 -0.51 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 0.00 0.00 14 L 8.69 5.18 0.00 1.68 1.68 0.92 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.20 5.03 0.00 2.74 2.85 0.00 0.00 6.91 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.62 4.26 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 1.24 0.00 0.00 *18 A 7.81 4.15 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.69 4.54 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 0.87 0.00 0.00 1.02 0.00 0.00 20 Q 8.81 4.92 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 21 K 8.96 4.76 0.00 1.97 1.75 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.55 7.81 22 W 9.09 4.95 0.00 3.58 3.36 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 23 H 8.82 5.31 0.00 3.02 3.21 0.00 5.56 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 9.43 5.11 0.00 3.26 3.02 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 25 V 8.52 4.86 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 0.70 0.00 0.00 0.94 0.00 0.00 26 L 9.47 4.55 0.00 1.73 1.66 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 *28 G 8.02 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.21 4.35 0.00 3.27 2.98 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 0.00 0.00 0.00 30 K 8.58 5.11 0.00 1.79 1.85 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.43 7.81 31 C 9.12 4.91 0.00 3.02 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 5.11 0.00 2.01 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 33 I 8.87 4.81 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.80 0.84 0.00 0.00 34 L 8.94 5.34 0.00 1.79 1.71 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.60 4.40 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.