NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9111 8.4545 109.7364 44.9705 0.0000 175.3610 3 K 3.8754 9.2742 122.2290 56.3843 33.4247 178.5755 4 G 4.0947 8.2008 111.2353 47.8361 0.0000 176.5494 5 T 3.1300 7.4607 110.6042 60.8283 70.7251 172.1745 6 P 4.3157 0.0000 0.0000 66.1236 32.7231 180.1887 7 S 4.8962 8.7802 123.3524 56.2617 60.4141 179.1706 *8 F 3.5477 8.9179 116.1705 59.8681 37.7320 175.5329 9 G 4.2439 7.7043 112.0142 46.0661 0.0000 173.8798 10 K 4.4999 7.6075 118.1690 54.7091 36.1180 178.6101 11 R 3.9217 7.7374 117.8527 59.3396 29.1288 181.6886 *12 H 4.6864 8.2912 120.2014 54.2290 30.6420 170.4568 13 N 5.1571 8.1924 120.3420 52.7186 40.9516 176.7480 14 K 4.7348 8.3671 117.0834 56.4357 35.7378 172.0306 15 S 4.9401 8.6258 111.8384 59.8794 65.6933 172.7245 *16 H 4.7183 8.5230 119.5565 56.0783 28.1476 178.6656 17 T 3.3517 10.2254 106.4079 62.7257 67.7787 176.3716 18 L 3.8701 7.8057 129.6892 56.9251 40.8563 180.4323 19 C 4.8070 8.1844 121.9584 56.2937 46.5063 175.5879 20 N 4.2879 8.2636 122.7228 54.0036 43.0585 175.6999 21 R 4.7064 7.6284 117.1421 55.8860 33.3634 183.3936 22 C 4.2283 10.4025 115.3384 54.5110 39.4279 175.2481 23 G 3.7325 9.3785 104.2873 47.3288 0.0000 174.7012 24 R 4.3943 7.5578 119.5772 56.7459 30.8601 177.0732 25 R 3.8099 8.1968 124.7810 58.6028 27.0686 179.2411 26 S 4.9552 8.0373 125.1777 58.2203 65.3365 174.8256 *27 F 4.7364 8.4545 125.1284 56.5766 40.7544 178.5558 *28 H 4.2367 9.5253 127.7739 56.2103 25.6966 175.2950 29 V 3.1987 7.5231 121.9009 63.7760 33.3838 178.5286 30 Q 4.2178 8.0319 120.9260 58.0804 28.4976 180.5668 31 K 4.0119 8.0590 121.1937 55.9282 32.1264 176.7712 32 K 3.9008 10.0070 130.0169 55.5929 31.3482 174.7856 33 T 3.4936 8.8784 127.1533 60.1258 68.5730 169.1535 34 C 4.9227 8.6208 123.7687 56.6368 46.0090 170.7265 35 S 3.6981 9.1459 110.5701 62.4645 62.4155 168.8674 36 S 4.6535 8.0371 117.2030 59.5825 69.0911 184.4524 37 C 4.7753 9.3972 112.4061 55.6992 37.4165 175.5684 38 G 3.8302 7.9851 116.6174 45.5775 0.0000 168.4377 *39 Y 3.9443 8.0899 121.9681 57.9416 37.2648 174.7607 40 P 5.0793 0.0000 0.0000 60.5608 34.2118 172.5687 41 A 3.5238 8.0577 113.7995 55.8697 16.8987 182.8520 42 A 3.2641 8.9170 117.2909 53.7504 20.4967 178.6815 43 K 3.8266 9.1632 119.0741 55.7788 30.0494 180.6211 44 T 3.5064 8.9055 119.6974 62.4808 67.4047 174.4151 45 R 3.9325 9.3405 124.1386 56.8492 27.1460 179.7860 46 S 4.9781 7.8081 126.4979 57.7125 63.9592 174.4449 *47 Y 4.6596 7.5374 122.5940 59.9400 39.9560 174.9301 48 N 4.8012 8.5383 118.3231 52.4508 38.8096 172.2316 *49 W 4.1395 8.7271 119.0197 55.6820 30.1643 174.6158 50 G 3.7745 7.2087 112.7618 45.1515 0.0000 172.1205 51 A 4.5150 7.7549 131.0534 51.0990 21.6730 176.9978 52 K 4.3241 8.5336 115.7184 55.3738 33.6702 170.2113 53 A 3.8049 9.0313 131.2367 52.9645 16.3878 178.9025 54 K 4.1003 8.3085 119.8490 54.4849 34.2029 183.3124 55 R 4.0127 8.9799 122.5634 56.2228 28.6318 178.0030 56 R 4.5638 8.4787 113.7471 57.2759 32.4109 170.7637 *57 H 4.8864 8.9976 121.9968 52.8385 31.0968 170.4868 58 T 3.8290 9.2413 109.6487 62.8697 67.6393 169.6448 59 T 4.5851 7.0855 113.8012 59.6740 70.1626 181.5124 60 G 3.5533 9.0913 106.8186 49.7835 0.0000 175.6539 61 T 4.0785 8.6800 110.6423 61.4684 67.8528 180.1149 62 G 3.9666 7.9279 112.2056 47.2734 0.0000 175.7575 63 R 4.2980 7.9167 119.4946 56.6557 30.9971 180.6245 64 M 3.8077 8.2691 115.7863 57.4843 30.0520 185.0000 65 R 3.3490 8.8101 115.3130 59.5901 31.4767 181.9284 *66 Y 4.2001 8.5243 120.9201 56.0785 36.1993 179.7517 67 L 6.3000 7.7248 130.3257 55.6473 45.1582 178.0227 68 K 4.1833 7.6903 124.0221 58.1425 30.4526 182.8126 *69 H 4.7489 9.5633 114.0998 56.6671 28.1419 177.8540 70 V 4.3179 7.7079 118.3592 61.4214 31.5755 181.5743 71 S 5.5474 7.5542 125.7402 60.0773 64.3399 182.5311 72 R 4.2422 8.3608 122.7135 59.6836 29.7002 182.1689 73 R 4.2551 7.6812 118.5538 57.4443 30.2505 178.5204 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 8.45 3.91 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 0.00 3 K 9.27 3.88 0.00 1.87 1.77 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.07 7.81 4 G 8.20 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.46 3.13 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 P 0.00 4.32 0.00 2.08 2.02 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 7 S 8.78 4.90 0.00 3.47 2.86 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 *8 F 8.92 3.55 0.00 2.29 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 0.00 0.00 0.00 0.00 9 G 7.70 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 0.00 0.00 0.00 0.00 10 K 7.61 4.50 0.00 1.72 1.64 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 0.99 7.81 11 R 7.74 3.92 0.00 1.84 1.82 0.00 3.27 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 *12 H 8.29 4.69 0.00 2.86 2.87 0.00 7.11 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.19 5.16 0.00 2.67 2.60 0.00 0.00 6.49 7.44 0.00 0.00 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 K 8.37 4.73 0.00 1.71 1.56 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.00 7.81 15 S 8.63 4.94 0.00 3.56 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 *16 H 8.52 4.72 0.00 2.77 2.54 0.00 7.30 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 10.23 3.35 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 18 L 7.81 3.87 0.00 1.72 0.71 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 19 C 8.18 4.81 0.00 2.68 1.89 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 20 N 8.26 4.29 0.00 2.64 2.67 0.00 0.00 6.73 7.55 0.00 0.00 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 R 7.63 4.71 0.00 1.70 1.79 0.00 3.36 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.15 0.00 22 C 10.40 4.23 0.00 2.83 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 23 G 9.38 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 0.00 0.00 0.00 24 R 7.56 4.39 0.00 1.82 1.78 0.00 3.42 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.15 0.00 25 R 8.20 3.81 0.00 1.97 1.86 0.00 3.28 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 26 S 8.04 4.96 0.00 3.36 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.45 4.74 0.00 2.03 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 0.00 0.00 0.00 0.00 *28 H 9.53 4.24 0.00 2.59 3.03 0.00 7.18 0.00 0.00 0.00 0.00 6.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.52 3.20 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 0.85 0.00 0.00 0.93 0.00 0.00 30 Q 8.03 4.22 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.07 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 31 K 8.06 4.01 0.00 1.77 1.75 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.00 7.81 32 K 10.01 3.90 0.00 1.97 1.83 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.25 1.24 7.81 33 T 8.88 3.49 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 34 C 8.62 4.92 0.00 2.68 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 35 S 9.15 3.70 0.00 3.74 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 36 S 8.04 4.65 0.00 3.58 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.40 4.78 0.00 2.72 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 38 G 7.99 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 *39 Y 8.09 3.94 0.00 2.34 2.18 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 40 P 0.00 5.08 0.00 1.95 1.96 0.00 3.84 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.54 0.00 41 A 8.06 3.52 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.92 3.26 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 43 K 9.16 3.83 0.00 1.80 1.79 0.00 1.96 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.23 7.81 44 T 8.91 3.51 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 45 R 9.34 3.93 0.00 2.00 1.87 0.00 3.19 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 46 S 7.81 4.98 0.00 3.59 3.28 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 *47 Y 7.54 4.66 0.00 2.34 1.65 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 0.00 0.00 0.00 0.00 48 N 8.54 4.80 0.00 2.66 2.59 0.00 0.00 6.23 7.96 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 *49 W 8.73 4.14 0.00 2.44 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 0.00 0.00 0.00 0.00 50 G 7.21 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.75 4.52 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 52 K 8.53 4.32 0.00 1.76 1.61 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.10 0.81 7.81 53 A 9.03 3.80 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.31 4.10 0.00 1.74 1.42 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.23 0.95 7.81 55 R 8.98 4.01 0.00 2.01 1.94 0.00 3.17 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.18 0.00 56 R 8.48 4.56 0.00 1.76 1.68 0.00 3.19 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 *57 H 9.00 4.89 0.00 2.89 2.88 0.00 7.16 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 9.24 3.83 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 59 T 7.09 4.59 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 60 G 9.09 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.68 4.08 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 62 G 7.93 3.97 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 0.00 0.00 0.00 63 R 7.92 4.30 0.00 1.87 1.83 0.00 3.30 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 64 M 8.27 3.81 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.38 0.00 65 R 8.81 3.35 0.00 1.80 1.95 0.00 3.22 0.00 0.00 3.37 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.18 0.00 *66 Y 8.52 4.20 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.72 6.30 0.00 1.69 1.57 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.69 4.18 0.00 1.71 1.18 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.28 7.81 *69 H 9.56 4.75 0.00 2.92 2.97 0.00 7.15 0.00 0.00 0.00 0.00 5.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.71 4.32 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 0.70 0.00 0.00 0.93 0.00 0.00 71 S 7.55 5.55 0.00 3.64 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.36 4.24 0.00 1.81 1.87 0.00 3.29 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 73 R 7.68 4.26 0.00 1.76 1.64 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.03 0.00 * Residues marked with a * may have inaccurate shift predictions.