NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9968 8.2127 109.7443 45.2632 0.0000 173.7032 2 I 2.9990 7.9386 117.5430 62.9643 37.4943 173.0432 3 V 3.4829 8.3445 119.9978 65.9961 31.7776 177.1844 4 E 3.9596 8.0795 117.7646 59.6759 29.1423 179.3513 5 Q 4.0393 7.8747 116.4271 58.4226 28.9785 177.0330 6 C 4.7894 8.3677 114.9717 56.8569 41.6755 174.4672 7 C 4.5107 7.7228 117.7939 61.3974 32.6560 175.2708 8 T 4.0138 8.1645 116.0602 66.8017 68.4468 174.3061 9 S 4.8572 7.6413 115.0783 56.7485 65.5106 172.6871 10 I 4.5184 8.1347 120.8031 60.2065 39.2417 175.7591 11 C 5.1579 8.5925 122.2995 55.2267 40.8410 174.4961 12 S 4.5650 8.8163 119.0458 57.3526 65.3413 175.2022 13 L 3.9611 8.3944 123.1373 58.7091 41.4641 178.5259 *14 Y 4.0024 7.7929 115.0857 61.1838 37.7634 178.2277 15 Q 4.3020 8.0042 118.7937 58.7373 28.7920 178.4086 16 L 4.2302 8.1102 121.6062 58.1105 42.0935 178.6595 17 E 4.1695 8.2238 117.6404 58.5685 29.1476 178.4003 18 N 4.4033 7.6578 115.4150 54.9418 38.5213 175.0233 19 Y 4.5603 7.4077 116.8951 57.7643 38.3628 175.5965 20 C 4.4977 7.5736 117.8181 59.2258 29.2007 173.5797 21 N 4.5396 8.5398 117.8105 53.7161 38.2809 175.4062 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 G 8.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.94 3.00 0.60 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.03 0.64 0.00 0.00 3 V 8.34 3.48 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 1.05 0.00 0.00 0.86 0.00 0.00 4 E 8.08 3.96 0.00 2.22 1.99 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 2.40 2.46 0.00 5 Q 7.87 4.04 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 6 C 8.37 4.79 0.00 2.96 3.09 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 0.00 7 C 7.72 4.51 0.00 2.90 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.16 4.01 4.47 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 1.21 0.00 0.00 9 S 7.64 4.86 0.00 3.98 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 10 I 8.13 4.52 1.88 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 1.42 0.61 0.92 0.00 0.00 11 C 8.59 5.16 0.00 2.96 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 12 S 8.82 4.56 0.00 4.06 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 13 L 8.39 3.96 0.00 1.78 1.72 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 *14 Y 7.79 4.00 0.00 2.58 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.00 4.30 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 16 L 8.11 4.23 0.00 1.99 1.89 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.22 4.17 0.00 2.25 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 2.34 2.57 0.00 18 N 7.66 4.40 0.00 2.22 2.36 0.00 0.00 6.80 8.66 0.00 0.00 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 Y 7.41 4.56 0.00 3.02 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 20 C 7.57 4.50 0.00 2.95 2.87 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 21 N 8.54 4.54 0.00 2.72 2.73 0.00 0.00 6.81 7.58 0.00 0.00 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.