NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9960 8.2127 109.7475 44.9923 0.0000 174.4430 2 I 3.1372 7.8622 118.6813 62.9414 37.5196 172.6750 3 V 3.5810 7.8540 120.2021 66.5518 31.6737 177.9186 4 E 3.9892 8.0047 116.4281 61.3282 29.7365 180.4405 5 Q 4.4427 8.1452 118.0128 57.7099 28.9969 176.8126 6 C 5.2665 8.3795 115.7698 55.8542 41.6517 174.0406 7 C 4.4092 8.2310 117.6112 59.7271 28.8801 174.3928 8 T 4.4149 7.8548 109.1514 62.2719 69.9736 175.1012 9 S 4.6315 7.5300 114.9482 55.8693 66.0361 173.0657 10 I 3.7854 8.3640 123.0537 61.5306 38.3393 175.5362 11 C 5.2004 8.4235 123.8783 54.9202 39.2687 174.7399 12 S 4.4981 8.6426 119.0173 57.9745 64.6329 175.6213 13 L 4.1618 8.5692 124.9439 58.3447 41.5790 179.9501 *14 Y 4.1358 7.7542 120.7144 62.1948 37.0177 182.8759 15 Q 4.2736 8.0940 120.2700 58.5511 28.7087 178.9410 16 L 4.2981 8.0496 120.1782 57.6283 41.6298 179.1433 17 E 4.0488 8.2308 118.4919 59.0095 29.0922 178.7390 18 N 4.2938 7.7281 115.4403 55.2985 38.4572 175.1330 19 Y 4.6086 7.3899 116.2853 57.7662 38.3656 175.5926 20 C 4.5112 7.6985 118.1537 58.9909 29.1838 173.5764 21 N 4.5431 8.5599 117.8130 53.7949 38.1539 175.3447 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 7.86 3.14 0.56 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.00 0.59 0.00 0.00 3 V 7.85 3.58 2.04 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 0.94 0.00 0.00 0.87 0.00 0.00 4 E 8.00 3.99 0.00 2.11 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.97 0.00 5 Q 8.15 4.44 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.75 2.66 0.00 6 C 8.38 5.27 0.00 2.94 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 7 C 8.23 4.41 0.00 3.11 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.41 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 9 S 7.53 4.63 0.00 3.97 3.94 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 0.00 0.00 0.00 10 I 8.36 3.79 1.88 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 1.42 0.70 0.92 0.00 0.00 11 C 8.42 5.20 0.00 3.00 3.01 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 12 S 8.64 4.50 0.00 4.08 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 13 L 8.57 4.16 0.00 1.65 1.80 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *14 Y 7.75 4.14 0.00 2.32 2.29 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 4.27 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 16 L 8.05 4.30 0.00 1.98 1.80 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.23 4.05 0.00 2.23 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 2.34 2.56 0.00 18 N 7.73 4.29 0.00 2.24 2.31 0.00 0.00 6.90 8.77 0.00 0.00 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 7.39 4.61 0.00 3.13 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 7.70 4.51 0.00 3.06 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 8.56 4.54 0.00 2.72 2.74 0.00 0.00 6.80 7.56 0.00 0.00 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.