NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 4.0439 8.3393 109.7359 45.6371 0.0000 172.6408 -1 S 4.3847 7.8479 114.2600 57.1655 63.9624 171.8214 2 L 4.3446 8.7688 119.6073 54.9761 45.4184 174.9080 3 I 4.4464 8.5321 127.5784 59.4030 38.8489 174.7856 4 L 4.7355 8.1526 123.8238 54.8262 43.5706 174.7801 5 T 4.6709 8.2192 114.6633 61.7705 70.8478 174.4068 6 R 4.6926 8.2267 123.0028 54.6773 33.8042 175.4348 7 R 4.3755 9.6860 122.8104 54.4444 31.5218 176.0825 8 V 3.7738 8.1308 118.9884 65.1540 31.5825 176.4438 9 G 3.9920 9.5393 116.3141 45.0548 0.0000 173.2165 10 E 4.5828 8.2198 119.5890 55.8431 31.4131 175.5204 11 T 5.2847 8.3335 117.3329 62.0484 72.7418 173.6545 12 L 4.7184 8.3658 123.5907 54.6621 43.8342 175.2674 *14 I 3.9517 8.3673 119.3761 62.3127 38.1275 175.6792 15 G 4.2795 8.5159 116.6930 45.9194 0.0000 172.2596 16 D 4.7904 8.6922 118.5797 54.3623 41.8989 176.4473 17 E 4.5966 8.1071 116.7980 55.7105 30.9573 175.5630 18 V 4.8953 7.5096 118.4930 61.1259 34.2665 174.7957 19 T 4.9443 8.8928 116.8114 59.8733 72.4709 172.7521 20 V 4.7817 8.7883 123.5407 61.5017 34.6381 174.1750 21 T 5.0225 9.0975 124.4713 61.6103 72.0534 173.3719 22 V 4.1619 8.5449 126.4668 62.8224 31.8888 176.2063 23 L 4.0796 9.1399 128.5998 55.0694 42.9175 176.9486 24 G 4.1136 7.2545 105.6245 46.0053 0.0000 172.2190 25 V 4.8865 8.3101 119.6681 60.9043 34.8720 175.0727 26 K 4.3754 8.9789 128.4172 55.1778 34.6209 177.8312 27 G 3.8403 8.6146 120.1869 46.7942 0.0000 172.4060 28 N 4.8272 9.2749 119.6913 51.9432 37.9243 173.9811 29 Q 4.6103 7.9322 118.0609 54.5415 30.5432 174.3376 30 V 4.7278 8.1561 120.6525 61.0645 34.2015 174.3991 31 R 4.4137 9.1808 128.9359 55.5616 31.2127 174.9220 32 I 4.9767 8.4798 126.7302 59.4128 40.6158 174.9072 33 G 4.1837 9.1988 113.7176 44.4049 0.0000 172.3012 34 V 4.9621 8.3990 124.0383 61.0130 34.4264 174.0759 35 N 5.0819 9.1406 125.2622 51.5586 40.6313 173.6587 36 A 5.2430 8.3655 124.4099 49.4704 22.7858 173.8575 37 P 4.4021 0.0000 0.0000 62.2064 32.3331 177.5380 38 K 3.8111 8.8468 120.0948 59.9885 31.9325 177.6782 39 E 4.2275 8.1208 112.5360 56.3161 29.6358 175.9328 40 V 4.2289 7.7575 120.8065 61.0290 32.5119 175.5067 41 S 4.2355 8.4960 122.5108 57.9394 63.7522 173.6991 42 V 4.2732 8.0487 122.0369 61.4153 33.3242 174.3316 43 H 5.0538 8.4609 123.2565 53.4341 32.4561 173.7641 44 R 4.2771 8.4427 121.4581 55.3036 31.3765 176.9721 45 E 3.9949 9.0011 125.0216 59.7085 29.7781 178.9392 46 E 4.0609 8.2306 116.4561 59.1015 29.6003 178.9241 47 I 3.9232 7.6035 120.6640 64.2134 37.4503 177.2619 48 Y 3.9569 8.2305 120.4475 60.7680 38.5887 178.1766 49 Q 3.9384 8.3796 119.0590 58.8747 28.7875 178.9995 50 R 3.8859 7.5894 118.1144 59.2072 29.8960 179.0263 51 I 3.6006 7.3065 118.3659 64.5461 37.1684 178.1146 52 Q 3.8972 7.5929 117.2995 58.8602 28.8846 178.5234 53 A 4.1592 7.9447 121.9839 54.6742 18.1143 178.2894 54 E 4.2717 7.9276 114.2690 55.5742 31.7907 176.7423 55 K 3.5395 7.4857 122.1135 58.5033 30.4351 175.7442 *56 S 4.2830 7.9061 117.1922 57.8929 62.9091 174.6607 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 -2 G 8.34 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 -1 S 7.85 4.38 0.00 4.01 3.73 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 2 L 8.77 4.34 0.00 1.56 1.55 0.92 0.91 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 3 I 8.53 4.45 1.87 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 1.47 0.75 0.91 0.00 0.00 4 L 8.15 4.74 0.00 1.68 1.60 0.92 0.62 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 5 T 8.22 4.67 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 6 R 8.23 4.69 0.00 1.73 1.78 0.00 3.36 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 7 R 9.69 4.38 0.00 1.89 1.84 0.00 3.15 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 8 V 8.13 3.77 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 0.80 0.00 0.00 0.93 0.00 0.00 9 G 9.54 3.99 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 0.00 0.00 0.00 10 E 8.22 4.58 0.00 2.03 1.86 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 2.28 2.40 0.00 11 T 8.33 5.28 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 1.25 0.00 0.00 12 L 8.37 4.72 0.00 1.70 1.73 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 *14 I 8.37 3.95 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.02 0.90 0.00 0.00 15 G 8.52 4.28 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 0.00 0.00 0.00 16 D 8.69 4.79 0.00 2.65 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 17 E 8.11 4.60 0.00 1.91 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 2.19 2.24 0.00 18 V 7.51 4.90 2.25 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 0.84 0.00 0.00 0.92 0.00 0.00 19 T 8.89 4.94 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 20 V 8.79 4.78 2.07 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 1.04 0.00 0.00 0.92 0.00 0.00 21 T 9.10 5.02 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 1.25 0.00 0.00 22 V 8.54 4.16 2.23 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 0.93 0.00 0.00 0.93 0.00 0.00 23 L 9.14 4.08 0.00 1.62 1.70 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.25 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.31 4.89 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 0.81 0.00 0.00 0.93 0.00 0.00 26 K 8.98 4.38 0.00 1.75 1.62 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.36 7.81 27 G 8.61 3.84 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 0.00 0.00 0.00 28 N 9.27 4.83 0.00 2.82 2.90 0.00 0.00 5.78 7.39 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 29 Q 7.93 4.61 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 30 V 8.16 4.73 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 0.84 0.00 0.00 0.93 0.00 0.00 31 R 9.18 4.41 0.00 1.93 1.87 0.00 3.13 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 32 I 8.48 4.98 1.87 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 1.28 0.79 0.91 0.00 0.00 33 G 9.20 4.18 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 0.00 34 V 8.40 4.96 2.07 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 0.84 0.00 0.00 0.92 0.00 0.00 35 N 9.14 5.08 0.00 2.64 2.69 0.00 0.00 6.25 7.72 0.00 0.00 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 A 8.37 5.24 1.15 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 0.00 0.00 0.00 37 P 0.00 4.40 0.00 2.57 2.18 0.00 3.73 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 38 K 8.85 3.81 0.00 1.76 1.95 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.47 7.81 39 E 8.12 4.23 0.00 2.07 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 2.27 2.23 0.00 40 V 7.76 4.23 2.20 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 0.81 0.00 0.00 0.92 0.00 0.00 41 S 8.50 4.24 0.00 3.89 3.84 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 42 V 8.05 4.27 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 0.84 0.00 0.00 0.89 0.00 0.00 43 H 8.46 5.05 0.00 3.06 3.19 0.00 5.75 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.44 4.28 0.00 1.90 2.20 0.00 3.18 0.00 0.00 3.43 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 45 E 9.00 3.99 0.00 2.04 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 2.43 2.45 0.00 46 E 8.23 4.06 0.00 2.22 2.22 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 2.38 2.36 0.00 47 I 7.60 3.92 2.06 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 1.56 0.83 0.95 0.00 0.00 48 Y 8.23 3.96 0.00 3.00 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 49 Q 8.38 3.94 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 50 R 7.59 3.89 0.00 2.11 1.94 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 51 I 7.31 3.60 1.73 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.53 0.75 0.00 0.00 52 Q 7.59 3.90 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 1.44 2.19 0.00 53 A 7.94 4.16 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 54 E 7.93 4.27 0.00 2.12 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 2.47 2.28 0.00 55 K 7.49 3.54 0.00 1.88 1.80 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.34 7.81 *56 S 7.91 4.28 0.00 3.64 3.66 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.