NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7367 8.3544 109.7331 45.5339 0.0000 174.4879 *3 V 4.0629 7.7278 116.8297 62.2274 33.6385 177.5963 4 E 4.1137 8.0914 115.9812 58.0832 29.6551 177.3303 5 Q 4.3179 8.0220 119.7641 58.1455 29.9119 177.8324 6 C 4.5372 8.0611 112.2542 58.5665 40.6475 173.8449 7 C 4.1129 8.0249 118.5509 60.0927 31.6222 173.9438 8 T 4.2522 7.6272 112.3083 64.1512 67.6892 173.5672 9 S 4.4575 7.4521 114.3693 58.1481 66.6213 172.6524 10 I 4.3644 8.3106 123.1246 60.7487 38.2233 174.0079 11 C 4.9869 8.5214 124.9859 54.5979 37.6870 172.8083 12 S 4.9059 8.3332 111.9127 55.6260 65.8535 175.0677 13 L 4.1482 8.5266 123.1670 58.4808 40.1422 179.1166 14 Y 3.8531 7.9147 118.0968 61.2960 37.9260 177.9185 15 Q 4.0933 8.2245 118.0844 58.1295 28.7165 178.2807 16 L 4.3552 7.7175 119.6007 57.1741 41.1267 178.8328 17 E 4.0273 7.8955 118.2473 58.8256 29.6261 178.0055 18 N 4.5302 7.3479 113.7142 54.2598 38.4237 174.8940 19 Y 5.1003 7.1480 116.1106 57.8960 40.2102 176.3353 20 C 4.1365 8.2191 119.1718 61.0401 26.4700 173.8857 21 N 4.5843 9.0809 124.9427 54.2414 39.2857 174.1493 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 8.35 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.73 4.06 2.02 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 0.95 0.00 0.00 0.83 0.00 0.00 4 E 8.09 4.11 0.00 1.98 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 2.29 2.26 0.00 5 Q 8.02 4.32 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 6 C 8.06 4.54 0.00 3.02 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 7 C 8.02 4.11 0.00 2.91 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 4.25 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 9 S 7.45 4.46 0.00 3.86 3.76 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 10 I 8.31 4.36 1.89 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 1.48 0.55 0.93 0.00 0.00 11 C 8.52 4.99 0.00 3.13 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 4.91 0.00 4.14 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.15 0.00 1.78 1.93 0.63 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.91 3.85 0.00 3.07 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 15 Q 8.22 4.09 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 16 L 7.72 4.36 0.00 1.84 1.76 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.90 4.03 0.00 2.11 1.94 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 2.35 2.31 0.00 18 N 7.35 4.53 0.00 2.33 2.35 0.00 0.00 6.69 8.53 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 19 Y 7.15 5.10 0.00 3.08 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 8.22 4.14 0.00 2.99 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 9.08 4.58 0.00 2.63 2.64 0.00 0.00 6.67 7.57 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 * Residues marked with a * may have inaccurate shift predictions.