NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6105 8.2233 120.1919 54.0110 42.7767 176.2733 2 T 3.7328 8.4892 122.7863 65.7879 68.2641 175.1394 3 L 3.9516 9.9922 124.6007 58.0961 42.4871 178.2993 4 D 4.3876 8.0154 118.3640 57.5864 40.8183 178.4355 5 E 3.9773 8.1434 118.5277 59.6133 29.5139 179.4656 6 A 4.1375 7.9431 120.2098 54.9141 18.3532 179.5762 7 E 4.1408 8.5180 117.9706 59.5911 29.4987 179.6417 8 R 4.0243 8.5389 118.7028 59.3689 30.2482 179.1339 9 Q 4.0387 8.2747 117.9999 58.5406 28.6559 178.5466 10 W 4.1343 8.3263 129.6933 60.0717 30.7586 178.0980 11 K 3.5473 8.4649 119.5163 59.2875 31.7045 178.4593 12 A 3.9942 8.0644 121.1545 55.4245 18.3398 179.2417 13 E 3.9472 8.0229 116.7341 58.5813 29.5463 178.6894 14 F 4.1051 7.6092 121.1731 61.4621 39.4008 176.9149 15 H 4.0047 8.3565 116.3122 58.8475 28.4701 177.7991 16 R 3.7420 7.9894 120.5491 58.9156 29.6051 178.4406 17 W 3.8700 7.8576 127.5337 60.5173 30.8226 177.8656 18 S 4.1206 8.4636 114.3467 61.5706 62.5143 176.4273 19 S 4.3130 7.7935 115.4469 61.3033 62.1467 176.7249 20 Y 4.5416 7.6726 119.0247 58.1737 37.6564 178.5555 *22 V 4.0058 7.7955 119.4421 63.3509 33.7458 176.6854 23 H 4.0933 8.3929 116.6086 59.0145 28.5282 177.6264 24 W 4.0569 8.5363 129.8954 60.1697 30.4957 178.0311 25 K 3.6269 8.2970 119.4184 59.1540 31.7844 177.8927 26 N 4.0555 8.0025 117.2466 56.9455 38.6398 176.3304 27 Q 3.9586 7.7052 119.5553 59.1795 29.2256 178.2018 28 F 3.9737 7.6197 121.4789 61.2088 38.8651 176.5750 29 D 4.1335 8.2313 118.8083 57.8388 40.5431 178.5000 30 H 4.4595 7.9213 113.1282 57.5055 28.8325 176.2062 31 Y 4.1260 7.3485 117.8373 59.1729 38.6809 176.7454 32 S 4.6059 7.7681 114.6798 59.0113 63.0418 174.7789 33 K 4.3821 7.7345 121.0056 56.1656 34.1019 175.5621 34 Q 4.1013 7.9097 122.0140 56.2445 28.6621 175.3831 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 4.61 0.00 2.67 2.99 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 2 T 8.49 3.73 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 1.21 0.00 0.00 3 L 9.99 3.95 0.00 1.80 1.67 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.02 4.39 0.00 2.91 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 8.14 3.98 0.00 2.33 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 2.33 2.21 0.00 6 A 7.94 4.14 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 8.52 4.14 0.00 2.16 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 2.49 2.51 0.00 8 R 8.54 4.02 0.00 2.00 2.01 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 9 Q 8.27 4.04 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 10 W 8.33 4.13 0.00 3.52 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 3.55 0.00 2.20 1.90 0.00 1.54 0.00 0.00 1.56 0.00 0.00 3.35 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.26 7.81 12 A 8.06 3.99 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 13 E 8.02 3.95 0.00 2.21 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 14 F 7.61 4.11 0.00 2.00 2.39 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 15 H 8.36 4.00 0.00 3.24 3.21 0.00 5.67 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 7.99 3.74 0.00 1.78 1.92 0.00 3.17 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.29 0.00 17 W 7.86 3.87 0.00 3.29 3.41 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 18 S 8.46 4.12 0.00 4.03 3.92 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 0.00 0.00 0.00 19 S 7.79 4.31 0.00 3.90 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 20 Y 7.67 4.54 0.00 2.93 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 *22 V 7.80 4.01 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.92 0.00 0.00 23 H 8.39 4.09 0.00 3.31 3.39 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 W 8.54 4.06 0.00 3.40 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 3.63 0.00 2.13 1.87 0.00 1.92 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.71 1.65 7.81 26 N 8.00 4.06 0.00 2.85 2.85 0.00 0.00 6.83 7.01 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 27 Q 7.71 3.96 0.00 2.20 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 28 F 7.62 3.97 0.00 1.51 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 29 D 8.23 4.13 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.46 0.00 3.12 3.25 0.00 5.65 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 7.35 4.13 0.00 3.20 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 4.61 0.00 3.23 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.73 4.38 0.00 1.75 1.78 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.21 1.34 7.81 34 Q 7.91 4.10 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.32 0.00 0.00 0.00 0.00 0.00 2.18 2.03 0.00 * Residues marked with a * may have inaccurate shift predictions.