NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3873 8.3044 120.3290 55.5452 32.2570 174.5069 2 V 3.8705 7.7872 122.8939 61.2758 33.1979 173.2887 3 Q 4.5708 8.6341 122.2433 53.7283 31.7481 175.7237 4 R 4.2776 8.1500 118.5189 58.9632 28.3537 176.6354 5 G 4.1400 8.5376 114.9841 45.5889 0.0000 172.2335 6 S 4.5770 7.7807 117.0933 56.9667 65.8831 173.3706 7 K 4.4718 8.4376 118.9014 55.1514 34.3639 175.9373 8 V 4.5829 7.9913 117.8055 59.3664 35.5630 175.9810 9 R 5.0641 8.5827 122.0752 55.4710 32.0953 175.3007 10 I 4.6702 8.0244 121.0372 59.4954 39.2889 176.5678 11 L 5.3005 8.4626 128.4692 55.1255 42.0772 177.7504 12 R 4.5823 8.5553 120.6453 53.3778 29.8587 173.5423 13 P 2.9700 0.0000 0.0000 64.3900 31.6050 177.9091 14 E 4.0359 7.8943 116.5222 58.6491 29.8714 177.3642 15 S 4.3822 8.3507 114.5064 57.7962 63.0615 174.3418 16 Y 3.6553 8.3647 127.6635 59.8298 38.6014 176.1378 17 W 5.2788 7.6366 118.1519 55.6798 29.7790 176.2772 18 F 4.5045 7.7642 119.9877 59.1624 39.4966 173.8124 19 Q 3.0334 6.7351 120.6668 56.9856 26.8703 173.6228 20 D 4.8250 7.5772 114.6161 52.6418 45.3745 176.0297 21 V 4.4472 7.8889 122.8506 61.3485 30.3140 175.6288 22 G 3.3538 7.9701 114.3732 45.3777 0.0000 169.1757 23 T 5.2621 7.3622 115.6114 60.7234 71.4479 174.4511 24 V 4.1826 8.1522 125.0388 62.9826 32.3944 175.8855 25 A 4.4019 8.5455 130.0349 53.6128 20.1779 176.8575 26 S 4.5475 7.4642 107.1257 57.9480 66.0988 174.2125 27 V 4.7941 8.4218 119.8002 61.1951 33.9661 174.5583 28 D 4.6686 9.1152 127.7456 52.7567 41.6835 175.7233 29 Q 4.3382 8.5716 127.5912 55.4284 28.1197 174.1810 30 S 4.7858 8.0675 118.7035 59.5860 70.0800 174.4000 31 G 3.7383 6.9679 115.8654 45.0144 0.0000 171.4758 32 I 4.7040 6.9250 117.4532 59.5973 40.6545 175.6777 33 K 3.8482 8.4548 117.2061 58.8241 33.0592 176.1726 34 Y 4.7961 7.3598 115.6442 55.5749 39.8909 172.3584 35 P 4.4812 0.0000 0.0000 65.4786 32.7050 176.6190 36 V 4.3149 7.8386 119.8394 62.1860 33.1853 174.7126 37 I 4.7604 8.6317 128.7823 60.0160 38.9412 174.6135 38 V 4.6678 8.6134 126.6971 61.1272 33.4676 174.9018 39 R 4.3752 8.6082 128.3786 55.5463 31.9643 174.8458 40 F 4.4530 8.2196 120.2785 55.8931 42.3267 175.0297 41 E 4.1106 8.9287 121.1242 58.4921 29.9389 177.1121 42 K 4.4462 7.9447 118.5738 55.7530 33.4971 174.3892 43 V 5.6629 8.3153 112.6839 58.6941 34.5566 173.1065 44 N 3.1400 7.6794 117.0919 50.8451 39.3400 174.2309 45 Y 4.1993 7.7576 113.9749 61.4488 37.5162 177.0325 46 S 4.3463 7.3434 116.4622 57.8915 64.3414 173.7608 47 G 4.1387 8.5044 120.7731 45.9126 0.0000 171.1258 *55 I 4.7679 7.0077 121.9801 62.1678 39.2002 176.4901 56 N 4.7649 8.2469 116.6817 52.4894 38.4414 174.3107 57 T 4.3571 7.8813 110.8500 62.3802 70.4618 171.5644 58 N 5.3163 8.8579 125.7442 51.3890 42.8377 172.8047 59 N 5.5701 8.3766 115.4989 52.0789 41.6212 174.3281 60 F 4.1213 9.6422 120.9273 55.3440 43.7864 173.9854 61 A 4.8852 8.6973 121.9348 50.7552 20.1178 178.6766 62 E 3.9791 9.0275 117.8302 59.1755 29.8542 179.2100 63 D 4.4229 8.2140 118.1693 55.6599 39.9375 176.2849 64 E 4.7363 8.4526 119.4649 56.0702 29.8843 174.9610 65 L 5.7134 7.6286 118.1176 52.2020 45.3891 176.1302 66 V 4.3869 8.3031 123.1904 60.9749 34.3667 174.3584 67 E 4.3704 8.7614 126.8037 55.5458 29.7613 177.9794 68 V 4.3460 7.5415 121.8777 60.4457 31.9590 175.5009 69 E 4.1333 7.7667 119.5671 55.3229 30.7850 175.1486 70 A 4.3926 8.0421 125.4015 50.0750 19.8603 175.3517 71 P 4.3651 0.0000 0.0000 63.2394 31.7770 176.2845 72 K 4.5447 8.1102 120.4891 54.4990 35.3892 175.3739 73 A 4.2844 8.5033 127.6827 51.5484 19.2969 177.2388 74 K 4.5405 8.2053 121.6898 53.4890 34.7319 173.9674 75 P 4.2262 0.0000 0.0000 62.9577 31.5060 176.6540 76 K 3.6240 8.2245 118.8142 56.7944 31.1753 175.5811 77 K 4.1392 8.3781 118.2830 56.8769 32.1567 175.8660 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 M 8.30 4.39 0.00 2.03 2.12 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 2.51 2.55 0.00 2 V 7.79 3.87 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 3 Q 8.63 4.57 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 4 R 8.15 4.28 0.00 1.77 1.90 0.00 3.23 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 5 G 8.54 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.78 4.58 0.00 3.89 3.78 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 7 K 8.44 4.47 0.00 1.72 1.65 0.00 1.51 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.31 7.81 8 V 7.99 4.58 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 0.83 0.00 0.00 0.83 0.00 0.00 9 R 8.58 5.06 0.00 1.69 1.73 0.00 3.01 0.00 0.00 3.15 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.38 0.00 10 I 8.02 4.67 2.03 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.94 0.00 0.00 11 L 8.46 5.30 0.00 1.80 1.83 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.56 4.58 0.00 2.18 2.15 0.00 3.09 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 13 P 0.00 2.97 0.00 1.69 1.35 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.33 0.00 14 E 7.89 4.04 0.00 1.95 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 2.27 2.25 0.00 15 S 8.35 4.38 0.00 4.14 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 16 Y 8.36 3.66 0.00 2.46 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.64 5.28 0.00 3.15 3.08 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 18 F 7.76 4.50 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 19 Q 6.74 3.03 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.20 0.00 0.00 0.00 0.00 0.00 1.16 2.17 0.00 20 D 7.58 4.82 0.00 2.96 2.66 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 21 V 7.89 4.45 2.02 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 1.12 0.00 0.00 0.87 0.00 0.00 22 G 7.97 3.35 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 0.00 23 T 7.36 5.26 4.05 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 1.15 0.00 0.00 24 V 8.15 4.18 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 1.04 0.00 0.00 0.87 0.00 0.00 25 A 8.55 4.40 1.24 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 0.00 0.00 0.00 26 S 7.46 4.55 0.00 3.86 3.93 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 0.00 0.00 0.00 27 V 8.42 4.79 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 0.84 0.00 0.00 0.95 0.00 0.00 28 D 9.12 4.67 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 4.34 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 30 S 8.07 4.79 0.00 4.02 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 31 G 6.97 3.74 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 0.00 0.00 0.00 32 I 6.92 4.70 1.85 0.00 0.00 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 1.48 0.80 0.95 0.00 0.00 33 K 8.45 3.85 0.00 1.17 1.70 0.00 1.34 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.24 1.12 7.81 34 Y 7.36 4.80 0.00 2.97 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 35 P 0.00 4.48 0.00 2.14 2.16 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 36 V 7.84 4.31 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.99 0.00 0.00 37 I 8.63 4.76 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.89 1.05 0.00 0.00 38 V 8.61 4.67 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 0.12 0.00 0.00 0.94 0.00 0.00 39 R 8.61 4.38 0.00 1.74 1.55 0.00 2.99 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 40 F 8.22 4.45 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.93 4.11 0.00 1.98 2.02 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 0.00 2.27 2.24 0.00 42 K 7.94 4.45 0.00 1.95 2.20 0.00 1.91 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.62 1.59 7.81 43 V 8.32 5.66 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 0.97 0.00 0.00 0.87 0.00 0.00 44 N 7.68 3.14 0.00 1.98 1.45 0.00 0.00 5.84 7.58 0.00 0.00 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 Y 7.76 4.20 0.00 3.01 3.02 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 0.00 0.00 0.00 0.00 46 S 7.34 4.35 0.00 4.14 3.81 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 47 G 8.50 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 *55 I 7.01 4.77 2.22 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.40 1.05 0.00 0.00 56 N 8.25 4.76 0.00 2.90 2.97 0.00 0.00 5.44 7.22 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 57 T 7.88 4.36 4.26 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 0.00 0.00 0.00 1.20 0.00 0.00 58 N 8.86 5.32 0.00 2.80 2.73 0.00 0.00 6.60 7.15 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 59 N 8.38 5.57 0.00 2.64 3.01 0.00 0.00 6.66 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 9.64 4.12 0.00 2.94 2.90 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 61 A 8.70 4.89 1.68 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 62 E 9.03 3.98 0.00 2.20 2.29 0.00 0.00 0.00 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 2.36 0.00 63 D 8.21 4.42 0.00 2.86 2.91 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 64 E 8.45 4.74 0.00 2.37 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 2.44 2.41 0.00 65 L 7.63 5.71 0.00 1.61 1.50 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.30 4.39 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.94 0.00 0.00 67 E 8.76 4.37 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 68 V 7.54 4.35 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 0.64 0.00 0.00 0.91 0.00 0.00 69 E 7.77 4.13 0.00 1.88 1.83 0.00 0.00 0.00 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 2.34 0.00 70 A 8.04 4.39 1.24 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 0.00 0.00 0.00 71 P 0.00 4.37 0.00 2.04 2.01 0.00 3.62 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 72 K 8.11 4.54 0.00 1.61 1.59 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.47 7.81 73 A 8.50 4.28 1.24 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 0.00 0.00 0.00 74 K 8.21 4.54 0.00 1.73 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.42 7.81 75 P 0.00 4.23 0.00 2.03 2.04 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 76 K 8.22 3.62 0.00 1.85 1.82 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.46 7.81 77 K 8.38 4.14 0.00 1.70 1.66 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.