NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1P F 4.5225 8.4245 122.8248 58.1241 40.5239 174.8526 *1O H 4.2219 7.6711 124.8485 51.9110 28.2472 171.1961 1N T 4.5739 8.5974 116.2688 60.3334 70.5645 173.9387 1M F 4.3434 9.2769 127.0392 58.2599 40.7547 175.5046 1L F 4.4729 8.0724 117.4935 55.5168 41.0019 174.5836 1K N 4.6903 8.4741 121.0025 52.0636 38.8856 175.1472 1J E 4.2154 9.0300 128.1081 59.2677 29.7721 179.1685 1I K 4.2062 8.6078 117.4957 58.4612 32.3542 177.6588 1H T 4.4895 8.2861 107.9384 62.7390 70.5686 175.3794 1G F 4.0230 8.3786 123.1588 58.9361 39.6765 175.0881 1F G 3.8197 7.8981 105.3175 44.0985 0.0000 172.4036 1E L 4.2882 7.8644 118.5660 54.5498 42.6216 176.5571 1D G 4.0967 9.3411 107.2188 46.0106 0.0000 175.1164 1C E 3.9593 8.4568 119.2355 59.8774 29.9197 178.7319 1B A 4.0506 8.1169 121.1849 54.9765 18.6373 177.5957 1A D 4.6242 7.4728 111.6066 53.7207 41.4704 175.9626 1 C 3.8832 7.2522 113.7973 59.8806 29.7321 175.6054 2 G 3.8899 8.5444 106.7639 45.8704 0.0000 173.4813 3 L 4.5080 7.3320 120.0639 52.9302 42.6871 176.3130 4 R 4.3117 8.9343 124.2573 54.7938 30.5588 175.7355 5 P 4.1739 0.0000 0.0000 65.4063 31.3969 177.0522 6 L 4.3404 7.8368 114.3030 54.3505 41.6640 176.4213 7 F 4.6829 7.8474 116.0582 58.2266 42.2488 176.7262 8 E 4.0411 8.8122 120.6828 59.9695 30.0606 180.0323 9 K 4.0502 8.1596 115.7569 58.5769 32.1757 177.7318 10 K 4.3909 7.8280 115.5191 55.3273 32.5200 175.9076 11 S 3.8270 7.9397 113.6373 59.5883 60.9085 171.9551 12 L 4.9066 8.1059 118.4291 52.8354 44.1096 176.3544 13 K 4.9828 8.3500 119.9427 54.3487 34.9390 176.1598 14 D 4.7655 8.5742 122.0970 53.0528 40.0255 177.4118 14A T 3.9535 8.5482 116.7594 66.3715 68.4937 175.2197 14B T 4.5542 8.2613 108.6831 60.6753 69.8493 175.2012 14C E 3.8535 8.0872 122.9728 59.8836 29.3911 178.8982 14D K 3.7055 8.0465 118.7803 59.8185 31.9114 177.7651 14E E 3.8546 7.5506 117.7957 59.4642 29.6209 178.8428 14F L 3.9044 7.6733 118.6424 57.7524 41.8053 179.3216 14G L 3.2192 7.4698 118.2334 57.6462 41.4064 179.0740 14H D 4.3967 8.3985 117.9185 56.2546 40.7850 177.8033 14I S 4.5473 7.3643 113.1135 58.4998 64.0093 173.4128 14J Y 4.8762 7.5929 120.8576 58.1062 38.1197 176.9570 14K I 3.8189 8.1384 122.0940 64.5089 37.6357 176.0576 14L D 4.4100 8.2259 121.8296 54.0917 41.5953 175.9458 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 1P F 8.42 4.52 0.00 3.05 3.05 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 0.00 0.00 0.00 *1O H 7.67 4.22 0.00 3.05 2.86 0.00 7.25 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 1N T 8.60 4.57 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 1M F 9.28 4.34 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1L F 8.07 4.47 0.00 2.32 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1K N 8.47 4.69 0.00 2.71 2.76 0.00 0.00 6.48 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1J E 9.03 4.22 0.00 2.13 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 2.45 2.62 0.00 1I K 8.61 4.21 0.00 2.11 1.90 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.54 7.81 1H T 8.29 4.49 4.33 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 1.26 0.00 0.00 1G F 8.38 4.02 0.00 3.07 3.20 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 0.00 1F G 7.90 3.82 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 0.00 0.00 0.00 1E L 7.86 4.29 0.00 1.66 1.65 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 1D G 9.34 4.10 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 0.00 0.00 0.00 1C E 8.46 3.96 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 1B A 8.12 4.05 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 1A D 7.47 4.62 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.25 3.88 0.00 3.04 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.54 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.33 4.51 0.00 1.57 1.63 1.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.93 4.31 0.00 2.24 2.09 0.00 3.14 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 5 P 0.00 4.17 0.00 2.04 2.14 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 6 L 7.84 4.34 0.00 1.24 1.20 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.85 4.68 0.00 3.04 2.95 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 0.00 0.00 0.00 8 E 8.81 4.04 0.00 2.13 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 2.44 2.46 0.00 9 K 8.16 4.05 0.00 1.92 1.88 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.42 7.81 10 K 7.83 4.39 0.00 1.75 1.75 0.00 1.75 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.56 7.81 11 S 7.94 3.83 0.00 4.03 3.95 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 0.00 0.00 0.00 12 L 8.11 4.91 0.00 1.52 1.58 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.35 4.98 0.00 1.74 1.78 0.00 1.94 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.43 7.81 14 D 8.57 4.77 0.00 2.64 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14A T 8.55 3.95 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 14B T 8.26 4.55 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 1.18 0.00 0.00 14C E 8.09 3.85 0.00 2.01 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 2.25 2.60 0.00 14D K 8.05 3.71 0.00 1.78 1.78 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.22 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.48 7.81 14E E 7.55 3.85 0.00 1.91 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 2.28 2.34 0.00 14F L 7.67 3.90 0.00 1.72 1.46 0.88 0.61 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 14G L 7.47 3.22 0.00 1.55 1.63 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14H D 8.40 4.40 0.00 2.63 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 14I S 7.36 4.55 0.00 4.03 4.01 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 0.00 0.00 0.00 14J Y 7.59 4.88 0.00 3.08 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14K I 8.14 3.82 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.49 0.93 0.00 0.00 14L D 8.23 4.41 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.