NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4823 8.3649 120.5312 55.4271 41.8522 173.5123 2 D 4.5826 8.5672 126.0380 52.1533 39.2115 171.9856 3 C 5.1235 8.4471 114.2158 53.8065 45.8341 171.9064 4 I 4.5073 8.6310 120.0182 59.4631 39.1913 175.9785 5 K 4.3322 8.5611 131.3938 56.5955 33.0559 177.6800 *7 Y 4.7841 8.8706 110.9270 57.4572 39.7197 173.8462 8 G 4.0178 8.0935 107.0818 44.2631 0.0000 173.7569 9 F 5.2640 8.2474 118.7283 57.7663 39.8724 173.6942 10 C 5.1065 8.5061 115.1969 55.0504 45.2486 172.3191 11 S 4.5296 8.0290 112.7040 57.9178 64.7215 174.3141 12 L 4.7677 8.1257 119.3575 53.1120 42.8811 174.5938 13 P 4.4558 0.0000 0.0000 63.1129 31.9912 175.0299 14 I 4.3726 7.4955 117.5438 60.2594 40.5352 174.3708 15 L 4.1663 8.5283 124.4272 56.3899 41.8599 177.6288 16 K 4.5417 7.8816 118.4109 54.3357 34.4752 174.1275 17 N 5.0490 8.4813 122.8950 51.5123 42.4510 172.4917 18 G 3.9759 7.7004 105.0312 46.4233 0.0000 172.2235 19 L 4.5911 7.7883 120.2054 54.1293 44.0114 176.7619 20 C 4.9428 8.4396 116.4608 56.4446 41.3648 176.4075 21 C 4.1228 8.7874 120.4336 59.9335 38.4073 174.9896 22 S 4.4113 8.0062 112.6072 58.0575 62.2952 175.0115 23 G 4.1153 7.8519 117.1449 45.4597 0.0000 173.6267 24 A 4.2158 7.4937 122.1762 50.4456 19.3346 176.6015 25 C 5.1866 8.6754 123.6714 55.0744 44.4289 172.7702 26 V 4.3035 8.4442 128.1774 61.6945 31.2545 177.8739 27 G 4.0476 8.7680 104.4362 47.6142 0.0000 172.4221 28 V 5.0834 7.6207 112.0516 59.8098 36.9299 173.4856 29 C 4.9228 8.9208 120.3027 56.4261 40.3978 173.0529 30 A 4.2081 9.0153 129.0312 51.1526 21.8607 172.9736 31 D 4.7073 8.1802 112.9380 53.7804 42.0589 175.6542 32 L 4.3395 8.1944 118.3552 55.3801 42.6587 176.4662 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 8.36 4.48 0.00 2.69 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 2 D 8.57 4.58 0.00 2.93 2.80 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 0.00 0.00 0.00 3 C 8.45 5.12 0.00 3.10 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.63 4.51 1.86 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 1.12 1.00 0.96 0.00 0.00 5 K 8.56 4.33 0.00 1.83 0.90 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.47 7.81 *7 Y 8.87 4.78 0.00 2.96 2.94 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 8 G 8.09 4.02 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 0.00 0.00 0.00 9 F 8.25 5.26 0.00 3.02 2.92 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 10 C 8.51 5.11 0.00 2.92 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.03 4.53 0.00 3.94 3.86 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 12 L 8.13 4.77 0.00 1.71 1.62 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.46 0.00 2.06 2.03 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 14 I 7.50 4.37 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.50 1.02 0.00 0.00 15 L 8.53 4.17 0.00 1.66 1.71 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.88 4.54 0.00 1.65 1.65 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.44 7.81 17 N 8.48 5.05 0.00 2.66 2.63 0.00 0.00 7.01 8.01 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 18 G 7.70 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 19 L 7.79 4.59 0.00 1.61 1.61 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 20 C 8.44 4.94 0.00 2.90 2.92 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 21 C 8.79 4.12 0.00 2.95 3.13 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 0.00 0.00 0.00 0.00 22 S 8.01 4.41 0.00 3.93 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 23 G 7.85 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.49 4.22 1.24 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 0.00 0.00 0.00 25 C 8.68 5.19 0.00 2.92 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 26 V 8.44 4.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.95 0.00 0.00 27 G 8.77 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.62 5.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.97 0.00 0.00 29 C 8.92 4.92 0.00 2.84 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 30 A 9.02 4.21 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.18 4.71 0.00 2.69 2.58 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 0.00 0.00 0.00 0.00 32 L 8.19 4.34 0.00 1.59 1.53 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.