NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 C 4.6549 8.4549 115.4515 55.5954 41.4291 173.5484 5 I 3.9445 7.3656 119.6936 59.9426 35.5445 174.1771 6 A 4.6155 8.9411 125.4342 51.7726 20.0820 177.1132 7 E 4.4759 7.7387 116.7144 55.8541 30.5769 175.7548 8 D 4.5924 8.5076 120.5710 55.5802 41.5672 176.6050 9 Y 4.1987 8.4276 118.7607 57.6331 35.9685 170.3755 10 G 3.7932 7.6004 108.5694 45.6647 0.0000 173.5081 11 K 4.4915 8.5815 124.9131 57.3127 32.9907 174.7022 12 C 5.0531 8.4722 118.7005 55.1981 44.7627 172.7363 13 T 4.8025 8.0224 113.2268 62.3134 73.0264 174.1604 14 W 4.5874 8.9919 125.8432 60.3486 27.8083 176.0970 15 G 4.2093 8.9193 111.0809 45.1499 0.0000 173.0245 16 G 4.0817 7.2352 106.6969 45.5527 0.0000 176.8493 17 T 3.9161 8.5826 126.1201 63.2370 67.8553 173.5943 18 K 4.6643 8.3168 128.1321 54.9262 34.7371 175.8735 19 C 4.6698 8.5262 122.9544 56.3351 44.6879 173.4573 20 C 4.3969 8.0574 121.8040 58.8661 40.0415 172.9978 21 R 4.3095 8.4931 122.8155 57.2196 28.5768 176.7637 22 G 4.2168 6.9730 105.5267 46.3078 0.0000 173.3413 23 R 4.6257 7.3927 117.2377 53.4384 32.7458 175.1090 24 P 4.4318 0.0000 0.0000 63.2681 32.6971 175.4993 25 C 4.9945 8.7667 119.9331 55.6236 40.3281 173.4993 26 R 4.5781 8.6372 124.3466 55.7124 31.9387 174.2744 27 C 5.2171 8.3365 118.9583 55.6029 43.0566 173.7235 28 S 4.5628 8.2839 113.5986 59.4956 62.7745 175.5949 29 M 3.2477 8.3173 116.6794 55.9320 29.3511 177.4115 30 I 4.2977 7.1349 109.5112 59.2221 39.4391 174.9503 31 G 3.5465 8.0673 108.4034 46.7616 0.0000 172.8957 32 T 4.3109 7.1605 103.9817 61.8814 70.7342 174.9805 33 N 4.5667 8.3669 126.6498 51.6985 38.4823 173.7573 34 C 5.3148 8.1814 119.7578 55.2324 42.0790 172.2886 35 E 5.1046 8.5886 123.2673 54.6277 32.2029 175.7960 36 C 4.7338 8.7097 123.7048 56.8854 44.9617 172.1829 37 T 4.3599 7.9624 125.0266 61.6528 70.0426 173.6748 *38 P 4.1764 0.0000 0.0000 62.3174 31.5453 173.4101 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 4 C 8.45 4.65 0.00 3.10 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.37 3.94 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.33 0.98 0.00 0.00 6 A 8.94 4.62 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 7 E 7.74 4.48 0.00 2.00 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 2.30 2.34 0.00 8 D 8.51 4.59 0.00 2.84 2.82 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 0.00 0.00 0.00 9 Y 8.43 4.20 0.00 3.04 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 10 G 7.60 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.58 4.49 0.00 1.80 1.75 0.00 1.93 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 12 C 8.47 5.05 0.00 3.19 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 8.02 4.80 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 1.26 0.00 0.00 14 W 8.99 4.59 0.00 3.21 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.92 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 0.00 0.00 0.00 0.00 16 G 7.24 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 0.00 0.00 0.00 0.00 17 T 8.58 3.92 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 1.22 0.00 0.00 18 K 8.32 4.66 0.00 1.82 1.66 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.71 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.41 7.81 19 C 8.53 4.67 0.00 3.15 2.99 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 20 C 8.06 4.40 0.00 2.95 3.02 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 21 R 8.49 4.31 0.00 1.96 2.20 0.00 3.18 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 22 G 6.97 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.39 4.63 0.00 1.77 1.95 0.00 3.21 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 24 P 0.00 4.43 0.00 2.12 2.17 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 25 C 8.77 4.99 0.00 3.03 3.25 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 26 R 8.64 4.58 0.00 1.86 1.74 0.00 3.02 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 27 C 8.34 5.22 0.00 2.79 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 28 S 8.28 4.56 0.00 3.84 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 29 M 8.32 3.25 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 30 I 7.13 4.30 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.61 0.88 0.00 0.00 31 G 8.07 3.55 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 0.00 32 T 7.16 4.31 4.20 0.00 0.00 0.00 0.00 0.00 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 33 N 8.37 4.57 0.00 2.72 2.83 0.00 0.00 6.81 7.66 0.00 0.00 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 C 8.18 5.31 0.00 2.84 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 35 E 8.59 5.10 0.00 1.93 1.91 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 2.56 2.33 0.00 36 C 8.71 4.73 0.00 3.03 2.93 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 0.00 0.00 0.00 37 T 7.96 4.36 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 0.89 0.00 0.00 *38 P 0.00 4.18 0.00 1.86 1.89 0.00 3.46 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 1.94 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.