NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6114 8.3493 120.1906 53.0988 42.5651 175.8944 2 L 5.0121 7.5716 130.0583 56.9921 40.6431 174.0299 3 T 4.0077 7.4082 112.8010 64.5230 68.7123 176.4173 *5 H 4.8347 8.1553 123.3652 56.0864 33.1402 175.1794 6 L 4.2816 9.0135 117.6189 55.6213 40.7034 180.6290 7 L 3.5217 9.7314 127.3477 53.7868 44.4264 179.6148 8 R 3.3675 9.0955 128.7919 57.9701 30.1129 177.1612 9 E 3.6221 9.2200 122.4539 60.1489 30.1151 179.7509 10 V 3.7225 8.8354 118.9568 65.3220 31.9556 176.7661 11 L 4.0556 7.8865 119.1399 58.2046 41.7154 178.1298 12 E 4.2237 9.0793 116.9340 56.8426 29.3476 178.1454 *14 A 3.8681 7.9538 124.6102 52.3136 20.5742 180.1459 15 R 3.8599 8.8724 115.2163 59.1964 30.1327 177.9123 16 A 4.2767 7.8852 118.1205 53.3382 19.2992 177.4047 17 E 4.4160 7.7675 113.9606 56.3885 30.6681 176.7784 18 Q 4.4461 7.7175 122.0313 55.7485 28.1079 176.1555 *20 A 4.3882 7.9181 123.7934 52.5843 21.1361 178.8751 21 Q 3.8664 7.7678 116.0119 60.2243 28.9281 178.2825 22 E 3.7968 8.5211 118.3892 59.8791 29.1855 178.1627 23 A 3.9554 8.0088 122.3328 56.4316 18.7071 178.0261 24 H 4.0869 8.9884 117.9111 58.3628 29.5696 177.0836 25 K 3.8996 9.2429 121.9703 60.1803 32.1952 179.0302 26 N 4.4093 8.7974 118.2787 56.3338 38.2848 177.3558 27 R 4.0670 8.1039 118.3346 58.2230 30.0914 178.1800 28 K 4.4327 7.1920 115.9143 57.4703 33.4082 179.1440 29 L 4.0520 8.5678 119.3543 55.8710 39.7094 177.1323 *31 E 4.0344 8.0554 115.8857 57.1067 30.9066 176.0633 *33 I 3.9339 7.8506 117.0742 61.2157 37.9120 175.1278 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 8.35 4.61 0.00 2.63 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.57 5.01 0.00 1.88 1.76 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 3 T 7.41 4.01 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 1.22 0.00 0.00 *5 H 8.16 4.83 0.00 3.09 3.47 0.00 5.93 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.01 4.28 0.00 1.75 1.20 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.73 3.52 0.00 1.78 1.36 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 8 R 9.10 3.37 0.00 2.04 1.74 0.00 3.30 0.00 0.00 3.37 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 9 E 9.22 3.62 0.00 2.06 2.11 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 2.53 2.32 0.00 10 V 8.84 3.72 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 0.73 0.00 0.00 1.00 0.00 0.00 11 L 7.89 4.06 0.00 1.78 1.75 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 12 E 9.08 4.22 0.00 2.21 1.93 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 2.32 2.25 0.00 *14 A 7.95 3.87 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.87 3.86 0.00 1.83 2.00 0.00 3.32 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.72 0.00 16 A 7.89 4.28 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.77 4.42 0.00 2.02 1.96 0.00 0.00 0.00 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 2.26 0.00 18 Q 7.72 4.45 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 *20 A 7.92 4.39 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.77 3.87 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.10 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 22 E 8.52 3.80 0.00 2.12 1.88 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 2.39 2.47 0.00 23 A 8.01 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.99 4.09 0.00 3.42 3.24 0.00 5.81 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 9.24 3.90 0.00 1.98 2.10 0.00 1.38 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.69 1.51 7.81 26 N 8.80 4.41 0.00 2.90 2.90 0.00 0.00 7.02 8.33 0.00 0.00 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 R 8.10 4.07 0.00 1.78 1.97 0.00 3.08 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 28 K 7.19 4.43 0.00 1.87 1.84 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.45 7.81 29 L 8.57 4.05 0.00 1.57 1.97 0.92 0.97 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 *31 E 8.06 4.03 0.00 2.11 2.06 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 2.21 2.44 0.00 *33 I 7.85 3.93 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.41 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.