NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2501 8.2549 120.8602 56.0642 30.0245 173.2583 2 S 4.5488 8.3562 119.0487 54.5366 65.2434 171.4445 3 C 5.1801 8.5162 119.6816 53.3825 45.5416 172.9974 4 I 4.7781 7.8540 112.9552 59.2295 40.2251 174.7616 5 D 4.8622 8.4805 122.1647 54.9328 41.4752 176.3592 6 T 4.6428 8.7572 114.9805 61.9150 68.1840 173.2434 7 I 4.6565 7.6211 117.8985 57.2500 41.4469 172.8375 8 P 4.2827 0.0000 0.0000 62.4242 31.4796 177.0531 9 K 3.9219 8.8820 124.7108 59.5902 31.6266 178.2018 10 S 4.0353 8.0916 114.2447 61.9386 62.7372 176.2804 11 R 3.8906 8.2005 120.3410 58.2578 30.3746 176.0682 12 C 4.7877 8.0074 116.7506 56.7345 38.8137 173.3206 13 T 3.8738 7.3907 113.8850 60.9954 68.0129 174.2174 14 A 3.8349 7.7478 126.4748 55.0817 18.2283 179.0652 15 F 4.6498 6.8618 113.0214 59.6053 39.4342 176.0714 16 Q 4.8136 7.6502 115.8874 54.3836 30.7736 177.8667 17 C 4.2316 9.1639 118.9311 58.9980 43.6919 174.4465 18 K 4.6178 7.9550 117.6999 56.3149 32.2424 175.7476 19 H 4.6321 8.1817 112.7931 56.5016 32.4811 174.4190 20 S 4.4880 8.2847 117.0864 56.2155 62.4210 173.5301 21 M 4.3659 7.4802 124.0628 55.7246 29.3859 177.0856 *23 Y 3.8818 7.6628 122.8681 58.7036 40.3062 177.7269 24 R 4.0024 7.6066 116.4689 57.6004 30.1775 176.7801 25 L 4.0045 7.7817 119.8377 56.7898 41.7486 176.2839 26 S 4.8088 8.6444 109.8481 58.0617 64.4512 174.4096 27 F 4.5888 8.8113 119.0710 59.2872 39.7681 178.4433 28 C 5.3199 8.3347 118.4079 58.5666 37.6266 176.9397 29 R 3.7755 7.4832 119.7614 59.3185 30.2522 179.0058 30 K 4.0790 9.2716 117.0692 59.7124 32.9036 180.0992 31 T 3.8486 7.8921 114.0028 66.2311 68.5698 173.8300 32 C 4.6137 8.4989 117.5820 58.3850 42.2407 174.7852 33 G 4.2463 7.5242 107.3576 47.1803 0.0000 173.8965 34 T 4.5493 8.5614 105.7057 60.8515 70.3548 172.0251 35 C 4.5294 8.1458 122.0301 55.6968 42.9579 173.4959 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 R 8.25 4.25 0.00 1.79 1.96 0.00 3.14 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 2 S 8.36 4.55 0.00 3.93 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 3 C 8.52 5.18 0.00 3.03 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 4 I 7.85 4.78 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.57 0.91 0.00 0.00 5 D 8.48 4.86 0.00 2.71 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 6 T 8.76 4.64 4.21 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 1.16 0.00 0.00 7 I 7.62 4.66 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.87 1.03 0.00 0.00 8 P 0.00 4.28 0.00 2.20 2.15 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 9 K 8.88 3.92 0.00 1.78 1.83 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.47 1.46 7.81 10 S 8.09 4.04 0.00 3.81 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.20 3.89 0.00 1.46 1.51 0.00 3.14 0.00 0.00 2.96 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 12 C 8.01 4.79 0.00 2.97 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 13 T 7.39 3.87 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 14 A 7.75 3.83 1.21 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 0.00 0.00 15 F 6.86 4.65 0.00 3.06 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.65 4.81 0.00 2.50 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 7.11 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 17 C 9.16 4.23 0.00 3.04 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 4.62 0.00 1.73 1.75 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.39 7.81 19 H 8.18 4.63 0.00 3.23 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.28 4.49 0.00 3.86 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 21 M 7.48 4.37 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 *23 Y 7.66 3.88 0.00 2.96 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.61 4.00 0.00 1.76 1.92 0.00 3.41 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 25 L 7.78 4.00 0.00 1.67 1.53 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.64 4.81 0.00 3.91 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.81 4.59 0.00 3.23 3.11 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 0.00 0.00 0.00 28 C 8.33 5.32 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 29 R 7.48 3.78 0.00 2.00 1.97 0.00 3.38 0.00 0.00 3.41 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 30 K 9.27 4.08 0.00 1.87 1.84 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.70 7.81 31 T 7.89 3.85 4.43 0.00 0.00 0.00 0.00 0.00 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 32 C 8.50 4.61 0.00 3.09 3.11 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 0.00 0.00 0.00 33 G 7.52 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.56 4.55 4.39 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 1.25 0.00 0.00 35 C 8.15 4.53 0.00 3.09 3.10 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.