NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1463 8.2549 117.2648 54.8906 30.7083 174.9428 2 P 4.1455 0.0000 0.0000 60.3641 31.8277 175.2094 3 D 4.4773 8.3211 119.8051 56.4181 40.4656 178.1077 4 F 4.5431 7.6873 116.5832 56.4239 36.9454 176.4528 *6 L 4.4057 7.8597 120.3796 55.3781 43.6131 177.4953 7 E 4.2704 7.7699 119.3305 54.8540 30.0877 175.0891 8 P 4.3664 0.0000 0.0000 61.6227 32.0165 174.4055 9 P 3.4411 0.0000 0.0000 62.8972 31.2401 175.0158 10 Y 4.6190 7.9343 123.5252 56.0852 39.4401 175.1852 11 T 4.1925 8.3028 125.5355 65.1701 68.8494 176.1769 12 G 3.6874 6.8835 104.9000 43.9888 0.0000 171.3256 13 P 4.3053 0.0000 0.0000 65.0002 31.8746 177.9082 14 C 4.4719 7.8901 116.3691 57.0090 40.6631 173.5322 15 K 4.5604 8.2454 119.6063 56.2667 32.0186 176.5621 16 A 4.2701 8.0262 122.0801 51.5089 20.5520 177.5955 17 R 4.5405 8.3551 119.4961 54.2510 30.6801 172.8870 18 I 4.4288 8.4663 124.4056 58.8508 39.9110 174.5672 19 I 4.3465 8.3462 128.6046 61.0668 37.5727 175.4888 20 R 4.7967 8.2589 125.4545 54.5247 34.5742 174.0157 21 Y 5.6101 9.3704 118.4463 56.8008 40.5751 175.0664 22 F 5.7409 9.3509 116.9105 55.8187 41.9690 172.7378 23 Y 4.4890 9.2074 120.3903 55.7973 40.3971 174.1387 24 N 4.7451 7.7764 125.6844 52.3495 39.8187 175.7961 25 A 4.0905 8.7285 129.3984 54.7061 19.2525 178.6203 26 K 4.0070 7.9919 116.6886 59.5364 32.3479 178.0674 27 A 4.0493 7.8493 119.5548 52.6379 18.8777 177.9483 28 G 3.8574 7.8025 102.8660 46.2986 0.0000 173.0063 29 L 4.5058 6.4913 125.2113 54.5746 41.7041 178.8588 *31 Q 4.4290 8.6272 117.7990 55.8922 30.2623 172.1249 32 T 5.2669 8.4249 109.8919 60.5914 71.1319 173.6625 33 F 5.0549 8.9643 117.2279 55.6508 42.2820 173.2183 34 V 4.1610 8.4342 119.5663 62.0138 32.0918 174.1725 35 Y 4.6879 8.7452 130.5028 56.1201 40.0941 176.7306 36 G 3.6797 8.3055 113.9329 47.1861 0.0000 174.6956 37 G 3.6338 5.7365 106.5817 45.4096 0.0000 172.3323 38 C 4.8726 7.1423 112.5464 54.6284 44.9391 173.2950 39 R 3.7482 8.7498 116.5295 57.3444 27.0825 176.9328 40 A 4.2748 7.9949 118.8786 52.2659 19.3870 178.0204 41 K 4.3888 8.2559 120.8044 54.7788 33.9065 177.3859 42 R 3.5399 8.1175 118.1996 58.7620 30.4529 177.4180 43 N 4.8816 7.7796 118.3505 51.7823 37.7631 175.1459 44 N 5.1443 6.8163 116.5103 52.6162 41.7955 172.9775 45 F 5.0327 9.3800 124.5665 55.5669 42.5291 176.6497 46 K 4.3087 8.9091 122.7930 58.4407 32.3718 177.2653 47 S 4.5268 7.7969 111.5141 55.8569 66.2044 174.7334 48 A 3.2762 7.7208 124.3099 54.8728 18.3218 179.1489 49 E 4.0087 7.8182 113.3867 58.8713 30.2686 177.0992 50 D 4.5483 7.3606 118.9950 54.9431 41.1536 177.6851 *52 M 4.3878 8.0694 118.8375 54.8212 34.0777 177.3740 53 R 3.9197 7.5955 118.2529 59.7341 30.2164 177.4616 54 T 4.0584 7.0809 109.4808 64.5317 68.5797 175.0181 *56 G 3.5182 7.9339 116.1483 45.6735 0.0000 172.9112 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 1 R 8.25 4.15 0.00 1.70 1.84 0.00 3.04 0.00 0.00 2.95 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 2 P 0.00 4.15 0.00 1.06 1.78 0.00 3.31 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.00 0.00 3 D 8.32 4.48 0.00 2.80 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 4 F 7.69 4.54 0.00 3.24 3.30 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 0.00 *6 L 7.86 4.41 0.00 1.72 1.85 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.77 4.27 0.00 2.17 1.90 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 2.61 2.44 0.00 8 P 0.00 4.37 0.00 2.12 2.03 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 9 P 0.00 3.44 0.00 0.82 0.49 0.00 3.43 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.77 0.00 10 Y 7.93 4.62 0.00 2.80 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 11 T 8.30 4.19 4.13 0.00 0.00 0.00 0.00 0.00 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 12 G 6.88 3.69 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 0.00 0.00 0.00 13 P 0.00 4.31 0.00 2.17 2.19 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 14 C 7.89 4.47 0.00 2.83 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 15 K 8.25 4.56 0.00 1.66 1.73 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.34 7.81 16 A 8.03 4.27 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.36 4.54 0.00 1.73 1.77 0.00 3.17 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 18 I 8.47 4.43 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.45 0.97 0.00 0.00 19 I 8.35 4.35 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.70 0.00 0.00 20 R 8.26 4.80 0.00 0.99 1.91 0.00 3.44 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 21 Y 9.37 5.61 0.00 3.08 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 22 F 9.35 5.74 0.00 3.24 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 23 Y 9.21 4.49 0.00 3.01 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 24 N 7.78 4.75 0.00 2.40 2.32 0.00 0.00 6.69 8.42 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 25 A 8.73 4.09 1.35 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 0.00 0.00 0.00 26 K 7.99 4.01 0.00 1.69 1.95 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.38 7.81 27 A 7.85 4.05 1.19 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 0.00 0.00 28 G 7.80 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 0.00 0.00 0.00 29 L 6.49 4.51 0.00 1.56 0.44 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 *31 Q 8.63 4.43 0.00 1.62 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.62 0.00 0.00 0.00 0.00 0.00 2.28 2.14 0.00 32 T 8.42 5.27 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 0.69 0.00 0.00 33 F 8.96 5.05 0.00 2.96 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 34 V 8.43 4.16 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 0.71 0.00 0.00 0.91 0.00 0.00 35 Y 8.75 4.69 0.00 2.41 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 36 G 8.31 3.68 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 0.00 0.00 0.00 37 G 5.74 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 7.14 4.87 0.00 3.05 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 R 8.75 3.75 0.00 2.14 2.20 0.00 3.26 0.00 0.00 3.30 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 40 A 7.99 4.27 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.26 4.39 0.00 1.73 1.68 0.00 1.39 0.00 0.00 1.48 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.15 7.81 42 R 8.12 3.54 0.00 1.19 0.74 0.00 2.56 0.00 0.00 2.91 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.33 0.00 43 N 7.78 4.88 0.00 3.11 2.87 0.00 0.00 6.68 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 44 N 6.82 5.14 0.00 2.65 2.49 0.00 0.00 7.07 7.02 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 45 F 9.38 5.03 0.00 3.33 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 46 K 8.91 4.31 0.00 1.84 1.96 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.48 7.81 47 S 7.80 4.53 0.00 4.00 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 0.00 48 A 7.72 3.28 0.91 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 0.00 0.00 0.00 0.00 0.00 49 E 7.82 4.01 0.00 2.05 2.14 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 2.28 2.18 0.00 50 D 7.36 4.55 0.00 2.85 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 *52 M 8.07 4.39 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 53 R 7.60 3.92 0.00 1.75 1.84 0.00 3.24 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 54 T 7.08 4.06 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 *56 G 7.93 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.