NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.3342 8.0433 122.7538 54.7379 43.7980 175.4520 10 L 4.1939 8.6129 126.9850 53.6224 42.4003 174.6013 11 L 4.9049 9.3429 126.0758 53.4071 46.2772 174.2346 12 E 5.1287 8.5320 120.6997 55.0275 34.8461 174.6198 13 C 4.7980 8.6217 117.9397 58.2071 31.3691 173.2248 14 T 4.1137 8.2990 119.2375 60.0190 68.4001 174.7286 15 E 3.6942 7.7185 128.8037 56.4556 29.6308 176.0666 16 C 3.4407 8.1687 112.6645 59.7059 24.4627 172.9004 17 K 4.1814 8.0616 121.6615 55.9297 33.1768 176.0380 18 R 4.5033 7.2168 113.7194 54.3832 32.1850 175.4905 19 R 4.0599 8.1258 113.5316 57.5090 30.4811 172.8166 20 N 4.4115 8.9907 119.3650 54.2489 40.1616 173.0823 21 Y 5.2557 8.2669 120.8365 56.9470 40.1123 174.9695 22 A 4.2556 9.2098 130.2101 52.0394 22.0368 174.7659 23 T 4.1290 8.1737 106.6147 61.3788 69.8152 170.7904 24 E 4.6163 7.6279 125.4924 55.4636 32.8977 179.0953 25 K 4.4082 8.2583 127.0762 57.9832 33.6553 173.7648 26 N 4.7862 8.5153 126.1063 52.2331 40.8596 176.0029 27 K 4.5851 8.3380 118.2142 55.9996 36.2041 179.5289 28 R 3.3636 8.9948 118.3335 57.4015 29.8051 177.1425 29 N 4.2414 9.5182 120.7568 57.4082 39.2177 175.4682 30 T 4.1722 8.0800 105.8324 61.1868 69.7407 173.7124 31 P 4.0545 0.0000 0.0000 62.4852 28.0315 173.9162 32 N 4.7108 7.1815 117.9697 51.0758 42.0236 173.7592 33 K 4.7558 9.1232 133.4572 57.0537 34.6835 172.1851 34 L 3.6809 8.5732 130.7419 54.0746 41.4164 174.1757 35 E 4.6123 8.3017 120.6020 54.7420 32.3197 173.5059 36 L 5.2390 7.9548 126.9780 52.9148 43.0083 175.9949 37 R 4.3099 8.5290 118.2173 55.2053 33.9113 174.1116 38 K 4.2143 9.0615 126.2920 57.6810 32.6490 175.6684 39 Y 4.8159 7.9696 123.5395 56.1740 42.2979 173.8781 40 C 4.1279 7.9648 126.7040 58.3813 32.2928 171.1339 41 P 4.8694 0.0000 0.0000 60.8091 32.9798 176.3092 42 W 4.9109 8.7298 128.9025 60.4022 31.0913 176.2298 43 C 4.2700 8.1030 118.8703 60.1879 28.7854 173.9557 44 R 4.0747 8.8761 125.4257 55.2922 30.0810 173.1399 45 K 4.6891 8.7028 119.1981 56.7470 29.7247 178.3985 46 H 4.6283 8.1531 121.4926 56.3433 27.2421 177.1429 47 T 3.7934 8.8569 103.4166 62.1371 66.6377 173.8923 48 V 3.7523 8.2025 115.5851 62.6735 32.5352 173.9005 49 H 4.7240 8.0725 118.3526 55.2255 27.1892 174.3987 50 R 5.3092 8.3059 122.6466 54.3104 32.7328 175.4419 51 E 5.3976 8.3945 118.5762 55.2646 31.8491 174.5570 52 V 4.3520 7.8739 120.5262 62.2504 35.1951 175.4390 *53 K 4.1303 8.5057 121.6348 54.8930 32.3038 171.5475 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 9 L 8.04 4.33 0.00 1.71 1.61 0.92 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.61 4.19 0.00 1.64 1.57 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 11 L 9.34 4.90 0.00 1.64 1.44 0.90 1.02 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 12 E 8.53 5.13 0.00 2.13 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 2.26 2.35 0.00 13 C 8.62 4.80 0.00 2.70 2.81 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 14 T 8.30 4.11 3.87 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 1.16 0.00 0.00 15 E 7.72 3.69 0.00 1.77 1.87 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 2.26 2.25 0.00 16 C 8.17 3.44 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 17 K 8.06 4.18 0.00 1.99 2.04 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.33 7.81 18 R 7.22 4.50 0.00 1.93 1.93 0.00 3.22 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 19 R 8.13 4.06 0.00 2.10 2.22 0.00 3.18 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 20 N 8.99 4.41 0.00 3.01 2.83 0.00 0.00 6.69 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 21 Y 8.27 5.26 0.00 2.81 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.21 4.26 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.17 4.13 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 24 E 7.63 4.62 0.00 1.78 1.39 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 2.07 2.12 0.00 25 K 8.26 4.41 0.00 1.68 1.66 0.00 1.58 0.00 0.00 0.61 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.21 7.81 26 N 8.52 4.79 0.00 2.62 2.89 0.00 0.00 6.93 7.61 0.00 0.00 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 K 8.34 4.59 0.00 1.67 1.73 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.38 7.81 28 R 8.99 3.36 0.00 1.86 1.54 0.00 3.25 0.00 0.00 3.22 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 29 N 9.52 4.24 0.00 2.69 2.90 0.00 0.00 6.84 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 30 T 8.08 4.17 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 31 P 0.00 4.05 0.00 2.09 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 2.01 2.13 0.00 32 N 7.18 4.71 0.00 2.63 3.00 0.00 0.00 7.10 6.68 0.00 0.00 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 K 9.12 4.76 0.00 1.81 1.73 0.00 1.98 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.18 1.15 7.81 34 L 8.57 3.68 0.00 1.84 1.67 0.92 0.87 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 35 E 8.30 4.61 0.00 2.07 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 36 L 7.95 5.24 0.00 1.65 1.61 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.53 4.31 0.00 1.79 1.81 0.00 3.34 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 38 K 9.06 4.21 0.00 1.73 1.83 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.50 7.81 39 Y 7.97 4.82 0.00 2.75 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 7.96 4.13 0.00 2.88 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.87 0.00 2.49 2.26 0.00 3.86 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 42 W 8.73 4.91 0.00 3.22 3.14 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 0.00 0.00 0.00 0.00 43 C 8.10 4.27 0.00 3.05 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 44 R 8.88 4.07 0.00 1.95 2.05 0.00 3.35 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 45 K 8.70 4.69 0.00 1.97 2.02 0.00 2.22 0.00 0.00 2.21 0.00 0.00 3.15 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.45 1.58 7.81 46 H 8.15 4.63 0.00 3.29 3.06 0.00 5.49 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 47 T 8.86 3.79 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 48 V 8.20 3.75 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 0.80 0.00 0.00 0.95 0.00 0.00 49 H 8.07 4.72 0.00 3.56 3.30 0.00 6.08 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.31 5.31 0.00 1.70 1.85 0.00 3.55 0.00 0.00 3.48 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.39 0.00 51 E 8.39 5.40 0.00 1.97 1.97 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 2.22 2.14 0.00 52 V 7.87 4.35 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.00 0.00 0.00 *53 K 8.51 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.