NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 K 4.3120 8.2729 122.1407 54.7678 34.6705 178.3983 4 Q 3.9838 8.0924 120.7176 59.7661 28.1236 178.0370 5 E 4.1555 8.2975 120.4164 60.7524 30.2797 180.0206 6 K 4.0017 8.1459 120.6441 59.8225 32.0052 178.5820 7 T 3.7938 8.0097 115.2001 66.6493 68.4409 176.3333 8 A 3.9915 8.1002 122.6874 55.2107 18.2689 179.3854 9 L 3.8915 8.3752 119.0313 58.3378 42.1902 178.6575 10 N 4.3035 8.1644 116.9495 57.0613 38.8018 176.7802 11 M 4.1407 8.4848 120.1634 58.2585 32.0132 178.5688 12 A 4.0194 8.5274 121.3801 55.1118 18.4901 179.5947 13 R 3.8264 8.2655 117.3839 59.5292 30.2049 178.4132 14 F 4.1286 8.2768 120.3232 61.4423 39.3972 177.1195 15 I 3.4919 8.2546 119.7241 64.2923 36.9412 178.3678 16 R 3.8227 8.2914 119.9232 59.4113 29.8905 178.4364 17 S 4.0222 8.2118 113.0942 61.6134 62.4259 176.2359 18 Q 3.8542 7.7825 120.6289 59.0911 28.2965 178.8951 19 T 3.8417 7.9468 116.8974 66.4160 68.4357 176.7318 20 L 3.9463 7.9297 120.8586 58.2335 41.6873 179.7345 21 T 3.8412 7.8415 115.6111 66.3845 68.2510 176.4821 22 L 3.9115 7.9920 122.2449 58.1944 42.1557 179.0565 23 L 3.9526 8.0436 118.9911 57.7859 41.3087 179.1236 24 E 3.9423 8.1235 118.3762 59.1441 29.9183 178.8081 25 K 4.1396 8.0919 118.6625 59.4147 32.1924 179.4106 26 L 4.0288 8.1672 119.4604 57.6100 41.3178 178.7877 27 N 4.4577 8.1837 115.7815 55.5465 38.8765 174.9593 28 E 4.4625 7.6528 117.5680 56.3114 29.9998 175.2810 29 L 4.8592 7.4846 118.8136 52.5228 44.7089 176.5215 30 D 4.5979 9.3918 120.2915 53.4792 42.6622 175.9430 31 P 4.2632 0.0000 0.0000 66.0455 31.4386 178.7100 32 D 4.3559 8.0460 117.2438 56.5498 39.3384 178.4285 33 E 3.9812 8.0718 119.5068 59.1485 29.5693 179.0064 34 Q 3.9911 8.2461 117.9120 58.8011 28.7780 178.7675 35 A 3.9638 8.1354 121.6852 55.3269 18.4795 179.3304 36 D 4.3180 7.8829 116.7642 57.7531 40.8534 179.2510 37 I 3.7507 7.8458 120.1285 64.6139 37.0227 178.3820 38 C 4.1596 8.3471 117.7686 62.5994 27.9311 175.7308 39 E 3.9170 8.3107 121.0559 59.3510 29.2584 178.8938 40 S 4.0555 8.1266 113.2309 61.2759 62.4679 176.1086 41 L 4.0494 8.2845 122.1691 58.0590 41.3561 179.0040 42 H 4.2268 8.4971 118.3491 59.2211 29.9072 177.0713 43 D 4.3259 8.1573 120.8300 57.7467 40.5543 178.5420 44 H 4.3438 8.1951 116.4798 58.6774 28.6376 177.6928 45 A 4.0318 8.1482 122.7243 55.2312 18.1689 179.4836 46 D 4.3474 8.1257 117.4953 57.5189 40.9449 178.8005 47 E 4.0037 8.1110 118.7117 59.2347 29.4555 179.1786 48 L 3.9544 8.3218 120.7279 58.2637 42.2258 178.2374 49 Y 4.2738 8.2622 119.5889 61.0642 38.7452 178.4628 50 R 3.7533 8.1792 118.7915 59.2142 29.9996 179.2949 51 S 4.0910 8.0134 114.9074 61.7977 62.6144 176.4966 52 C 4.1428 7.9501 118.2958 62.7435 28.1355 175.8076 53 L 3.9628 7.7912 120.3394 57.6327 40.9183 179.3509 54 A 3.9609 7.6050 119.6291 55.2453 18.4607 179.4340 55 R 4.0102 7.6649 116.1338 58.6530 30.3629 177.5211 *56 F 4.4282 7.7572 122.2361 56.7827 38.7864 180.2060 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 *3 K 8.27 4.31 0.00 1.70 1.85 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 4 Q 8.09 3.98 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.05 0.00 5 E 8.30 4.16 0.00 1.97 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 2.31 1.94 0.00 6 K 8.15 4.00 0.00 1.81 1.95 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.56 7.81 7 T 8.01 3.79 4.38 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 1.20 0.00 0.00 8 A 8.10 3.99 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 9 L 8.38 3.89 0.00 1.99 1.77 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.16 4.30 0.00 2.82 3.00 0.00 0.00 7.28 7.79 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 11 M 8.48 4.14 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.78 0.00 12 A 8.53 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.27 3.83 0.00 2.03 2.16 0.00 3.14 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 14 F 8.28 4.13 0.00 3.20 3.28 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 0.00 0.00 0.00 0.00 15 I 8.25 3.49 1.90 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.82 0.90 0.00 0.00 16 R 8.29 3.82 0.00 2.06 1.90 0.00 3.09 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 17 S 8.21 4.02 0.00 3.92 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.78 3.85 0.00 1.70 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 1.23 2.12 0.00 19 T 7.95 3.84 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 20 L 7.93 3.95 0.00 2.00 1.68 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.84 3.84 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 1.19 0.00 0.00 22 L 7.99 3.91 0.00 1.73 1.81 0.91 0.46 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 23 L 8.04 3.95 0.00 1.86 1.69 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.12 3.94 0.00 2.03 2.12 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 2.31 2.34 0.00 25 K 8.09 4.14 0.00 2.02 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.61 7.81 26 L 8.17 4.03 0.00 1.81 1.71 0.91 0.56 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 27 N 8.18 4.46 0.00 2.92 3.01 0.00 0.00 7.16 7.26 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 28 E 7.65 4.46 0.00 2.12 1.95 0.00 0.00 0.00 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 2.45 0.00 29 L 7.48 4.86 0.00 1.61 1.79 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 30 D 9.39 4.60 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.26 0.00 2.15 2.11 0.00 3.60 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 2.11 2.16 0.00 32 D 8.05 4.36 0.00 2.94 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.07 3.98 0.00 2.03 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 2.40 2.62 0.00 34 Q 8.25 3.99 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 35 A 8.14 3.96 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 0.00 0.00 0.00 0.00 0.00 36 D 7.88 4.32 0.00 3.02 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 37 I 7.85 3.75 1.99 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 1.53 0.73 0.92 0.00 0.00 38 C 8.35 4.16 0.00 3.15 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 39 E 8.31 3.92 0.00 2.22 2.05 0.00 0.00 0.00 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 2.36 0.00 40 S 8.13 4.06 0.00 3.94 3.98 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 41 L 8.28 4.05 0.00 1.96 1.73 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.50 4.23 0.00 3.27 3.42 0.00 5.59 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 43 D 8.16 4.33 0.00 2.93 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.20 4.34 0.00 3.23 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.15 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.13 4.35 0.00 2.86 2.74 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 47 E 8.11 4.00 0.00 2.42 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 2.33 2.19 0.00 48 L 8.32 3.95 0.00 1.93 1.86 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.26 4.27 0.00 3.15 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.18 3.75 0.00 2.04 1.92 0.00 3.17 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 51 S 8.01 4.09 0.00 4.07 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 C 7.95 4.14 0.00 3.05 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 53 L 7.79 3.96 0.00 1.64 1.54 0.40 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.60 3.96 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.66 4.01 0.00 2.00 1.98 0.00 3.31 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 *56 F 7.76 4.43 0.00 2.03 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.