NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.3335 8.0433 122.7540 54.9089 43.7408 175.3742 10 L 4.5223 8.4091 125.9824 53.2123 43.2260 174.3452 11 L 4.5200 7.8419 121.2786 54.2415 45.7929 172.6803 12 E 5.0941 8.3279 122.3546 54.7861 32.9039 174.5418 13 C 5.3026 8.5219 116.1214 57.4000 31.8659 173.0345 14 T 4.5385 7.7286 116.6455 59.8550 69.4801 174.3905 15 E 3.3927 8.1623 127.3509 55.7249 29.2238 175.8792 16 C 3.7894 8.3117 109.2741 60.1550 28.4342 172.5500 17 K 4.0434 10.3435 121.8389 56.1498 28.6947 176.1000 18 R 4.6453 7.1234 114.3430 55.3337 32.8836 175.7943 19 R 4.3231 7.9909 121.6398 54.1102 28.5061 177.2632 20 N 4.1721 9.0281 118.6551 53.0260 39.2626 171.5747 21 Y 5.8695 8.4084 116.9762 57.0475 42.1332 174.6062 22 A 4.3246 8.4603 122.5706 51.5339 21.2857 176.1838 23 T 3.6534 7.7452 102.7444 62.8299 67.9691 171.9367 24 E 4.4166 8.2478 130.5907 55.7921 28.3585 179.8980 25 K 5.0049 8.5190 135.0000 57.0474 33.6128 173.3817 26 N 4.6698 7.6955 125.6874 54.4843 39.0712 175.8670 27 K 4.3114 8.7642 114.4004 61.2927 33.5972 180.8074 28 R 3.2913 7.8113 117.5130 59.2069 30.5504 177.5755 29 N 3.9146 7.5926 111.2652 57.3740 39.0275 176.3303 30 T 4.2466 8.1600 108.5537 60.4341 70.2121 172.2544 31 P 4.0499 0.0000 0.0000 61.8412 31.7639 175.0509 32 N 4.4680 8.2601 123.2189 53.5224 40.8355 169.1993 33 K 3.9190 8.9141 123.9171 57.2256 32.4483 175.7453 34 L 3.4320 8.3455 119.7395 55.6782 38.3858 171.7612 35 E 4.3362 8.6498 118.4376 54.2844 29.7331 175.5517 36 L 4.7621 8.2371 126.3946 53.9413 42.7319 176.1092 37 R 4.6789 8.0913 122.1646 54.0407 34.4137 174.9826 38 K 4.1368 8.7097 124.4102 57.9431 32.6908 174.6836 39 Y 4.7377 8.6352 125.3684 57.0253 42.9368 172.4647 40 C 4.5370 7.1476 123.8292 56.7239 33.0341 172.5524 41 P 5.4004 0.0000 0.0000 61.6875 32.6228 175.1420 42 W 5.1179 8.8318 125.6729 57.6537 31.9179 175.4709 43 C 4.4820 7.7615 116.5793 58.7376 32.5504 171.8997 44 R 3.6619 8.7850 128.5820 55.7249 26.4341 176.3016 45 K 4.0947 8.4203 121.4469 56.7885 33.6578 177.6375 46 H 4.9496 8.3554 119.1556 56.2842 27.7356 173.8583 47 T 4.9173 9.2860 115.6826 62.0543 71.5210 173.9519 48 V 3.7534 8.5692 113.5246 63.2549 32.3459 175.8443 49 H 4.9702 8.1361 117.5242 55.0663 28.0539 174.1238 50 R 4.8597 7.6938 117.7835 55.7068 34.6291 174.3173 51 E 4.1687 8.9893 123.5424 56.8130 28.1549 179.3700 52 V 3.5366 8.9145 128.2102 63.7584 32.2941 171.3327 *53 K 4.1330 8.3926 123.0973 54.8597 32.2491 176.7914 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 1.74 1.60 0.92 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.41 4.52 0.00 1.64 1.56 0.91 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 7.84 4.52 0.00 1.63 1.42 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.33 5.09 0.00 2.15 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 2.63 0.00 13 C 8.52 5.30 0.00 2.80 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 14 T 7.73 4.54 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 15 E 8.16 3.39 0.00 2.08 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 2.27 2.21 0.00 16 C 8.31 3.79 0.00 3.17 2.96 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 0.00 0.00 0.00 17 K 10.34 4.04 0.00 1.91 2.10 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.33 7.81 18 R 7.12 4.65 0.00 1.83 1.87 0.00 3.18 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.85 0.00 19 R 7.99 4.32 0.00 1.95 1.16 0.00 3.24 0.00 0.00 3.28 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 20 N 9.03 4.17 0.00 2.93 2.69 0.00 0.00 6.67 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 8.41 5.87 0.00 3.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 4.32 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 3.65 4.23 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 1.23 0.00 0.00 24 E 8.25 4.42 0.00 1.93 1.12 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 2.12 2.25 0.00 25 K 8.52 5.00 0.00 1.73 1.75 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.16 1.47 7.81 26 N 7.70 4.67 0.00 2.80 2.79 0.00 0.00 6.82 7.49 0.00 0.00 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 8.76 4.31 0.00 1.72 1.72 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.35 7.81 28 R 7.81 3.29 0.00 1.84 2.11 0.00 3.25 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 29 N 7.59 3.91 0.00 2.79 2.82 0.00 0.00 6.92 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 8.16 4.25 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 2.07 2.01 0.00 3.67 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 2.02 2.13 0.00 32 N 8.26 4.47 0.00 2.71 2.58 0.00 0.00 7.26 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 8.91 3.92 0.00 1.96 1.85 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.39 7.81 34 L 8.35 3.43 0.00 1.73 1.66 0.92 0.92 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 35 E 8.65 4.34 0.00 1.95 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 2.25 2.26 0.00 36 L 8.24 4.76 0.00 1.74 1.60 0.93 0.68 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 37 R 8.09 4.68 0.00 1.68 1.82 0.00 3.33 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 38 K 8.71 4.14 0.00 1.79 1.77 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.69 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.64 7.81 39 Y 8.64 4.74 0.00 2.84 2.19 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 0.00 40 C 7.15 4.54 0.00 2.70 2.39 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 41 P 0.00 5.40 0.00 2.33 2.23 0.00 3.36 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 42 W 8.83 5.12 0.00 3.18 3.01 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 43 C 7.76 4.48 0.00 2.92 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 44 R 8.79 3.66 0.00 2.00 1.97 0.00 3.47 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 45 K 8.42 4.09 0.00 1.75 1.82 0.00 1.85 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.44 7.81 46 H 8.36 4.95 0.00 3.28 3.03 0.00 5.46 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 9.29 4.92 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 48 V 8.57 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 0.74 0.00 0.00 0.95 0.00 0.00 49 H 8.14 4.97 0.00 3.62 3.34 0.00 6.03 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.69 4.86 0.00 1.76 1.79 0.00 3.28 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 51 E 8.99 4.17 0.00 2.03 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 2.36 2.50 0.00 52 V 8.91 3.54 2.10 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 0.94 0.00 0.00 0.94 0.00 0.00 *53 K 8.39 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.00 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.