NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2940 8.1127 119.7066 56.6059 32.5469 177.0561 2 M 3.8541 7.9589 116.8193 57.6351 31.4682 176.0819 3 K 4.1430 8.1844 120.8371 58.9140 32.8064 177.6340 4 Q 4.2241 8.1957 117.2320 59.5934 28.1258 178.8101 5 L 3.9225 7.5379 120.8874 57.8346 42.0703 178.8414 6 E 4.0306 8.3194 118.4746 59.1160 28.8161 178.8828 7 D 4.3876 9.3711 119.5146 57.3008 40.9789 178.3314 8 K 3.8279 8.4632 120.2677 60.0645 32.0628 178.7675 9 V 3.6439 7.9490 117.9341 65.9860 31.3182 177.8195 10 E 4.0250 8.1587 118.0642 58.8518 29.2839 178.8624 11 E 3.9125 7.8825 118.8375 59.2882 29.5667 178.7595 12 L 3.9895 7.7093 117.4867 57.8867 41.7789 179.0802 13 L 4.1400 7.9336 117.9979 57.8175 41.9517 179.5733 14 S 4.4643 8.3085 114.1938 61.4333 62.8995 177.7344 15 K 4.1431 7.9403 119.6547 56.7657 31.1723 178.3887 *17 Y 4.7132 7.8109 118.7658 58.5126 40.0005 177.0960 18 H 4.2833 8.2362 118.3127 59.1490 29.8758 177.2003 19 L 3.8755 8.2892 121.1832 57.9821 41.5174 179.3393 20 E 3.9943 8.1681 117.8489 59.5669 29.4247 179.1195 21 N 4.4035 7.9433 115.7429 56.2274 38.5123 177.4031 22 E 3.9211 8.0104 120.1023 59.3806 29.5349 179.6019 23 V 3.5553 7.9277 118.0927 65.6760 31.3485 177.7492 24 A 3.9759 7.8392 119.6654 55.3364 18.5604 179.3152 25 R 3.9776 7.9048 116.9345 59.6460 29.7893 178.7592 26 L 4.0733 8.3205 118.9987 57.5065 41.8912 179.3890 27 K 4.1249 8.2490 118.0594 58.1895 31.8672 178.9839 28 K 4.1480 7.8546 118.8911 58.1428 32.4836 179.4013 29 L 4.5664 6.9932 112.3346 54.8138 42.4558 177.1169 30 V 4.4529 8.8241 120.1702 62.9492 31.5081 178.0761 31 G 3.8289 9.0758 111.4778 43.3095 0.0000 170.9514 32 E 3.7197 9.4046 127.4404 56.5591 29.0636 178.1646 33 R 3.9373 7.8225 118.1790 55.9410 31.1752 176.1450 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 8.11 4.29 0.00 1.89 2.04 0.00 3.10 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 2 M 7.96 3.85 0.00 2.21 2.06 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 2.67 2.72 0.00 3 K 8.18 4.14 0.00 1.90 1.80 0.00 1.73 0.00 0.00 1.94 0.00 0.00 3.33 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.66 7.81 4 Q 8.20 4.22 0.00 2.36 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 5 L 7.54 3.92 0.00 1.98 1.77 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.32 4.03 0.00 2.07 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 2.33 2.59 0.00 7 D 9.37 4.39 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.46 3.83 0.00 2.13 2.02 0.00 1.53 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.53 7.81 9 V 7.95 3.64 2.15 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 1.06 0.00 0.00 0.98 0.00 0.00 10 E 8.16 4.02 0.00 2.04 2.00 0.00 0.00 0.00 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 2.47 0.00 11 E 7.88 3.91 0.00 2.29 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 0.00 2.31 2.36 0.00 12 L 7.71 3.99 0.00 1.84 1.71 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.93 4.14 0.00 1.85 1.91 1.06 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.31 4.46 0.00 4.09 4.30 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.94 4.14 0.00 1.84 1.89 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.72 7.81 *17 Y 7.81 4.71 0.00 3.39 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.24 4.28 0.00 3.27 3.52 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.29 3.88 0.00 1.71 1.67 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.17 3.99 0.00 2.21 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 0.00 2.36 2.34 0.00 21 N 7.94 4.40 0.00 2.95 2.88 0.00 0.00 7.01 7.54 0.00 0.00 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 E 8.01 3.92 0.00 2.06 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 2.21 2.26 0.00 23 V 7.93 3.56 2.21 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 1.00 0.00 0.00 0.91 0.00 0.00 24 A 7.84 3.98 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 3.98 0.00 1.92 2.15 0.00 3.10 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 26 L 8.32 4.07 0.00 1.85 1.70 0.91 0.84 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 27 K 8.25 4.12 0.00 2.01 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.59 7.81 28 K 7.85 4.15 0.00 1.81 1.83 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.65 7.81 29 L 6.99 4.57 0.00 1.70 1.69 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.82 4.45 2.08 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 0.77 0.00 0.00 0.98 0.00 0.00 31 G 9.08 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.40 3.72 0.00 1.97 2.01 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 2.33 2.35 0.00 33 R 7.82 3.94 0.00 2.04 2.24 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 * Residues marked with a * may have inaccurate shift predictions.