NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4804 8.3344 116.8056 58.3371 64.8155 173.0276 8 D 4.8696 7.9896 120.1117 51.5632 43.1324 173.8735 9 F 5.5344 8.8323 117.6614 55.2796 42.1600 173.5554 10 V 4.6572 9.1023 112.3020 59.6052 35.5646 174.8745 11 V 4.7688 8.5922 124.3068 61.4930 33.4919 174.4613 12 I 4.9652 8.9687 129.0002 59.4432 40.3949 174.1878 13 K 5.0387 9.3808 129.1623 54.4551 34.5217 174.7879 14 A 4.6304 8.7848 129.9521 51.8300 19.3247 177.5473 15 L 4.6113 9.0066 122.7317 55.0422 42.6574 175.7859 16 E 4.7827 7.7261 115.6612 54.7007 33.0924 174.5776 17 D 4.6100 8.7139 119.4139 54.9435 41.5699 176.0666 18 G 3.8591 8.3613 106.9012 46.7625 0.0000 174.4351 19 V 3.9997 7.8198 119.1230 62.2848 33.2993 174.1515 20 N 5.0879 9.3198 125.6738 51.8479 41.3457 173.1724 21 V 4.5598 8.6882 127.2481 61.5554 33.2926 173.9816 22 I 4.6559 8.9146 130.4199 59.6269 39.2899 175.2592 23 G 4.2890 9.5250 116.1347 45.1869 0.0000 172.6553 24 L 4.8431 8.8990 124.4531 54.3438 45.2063 176.4213 25 T 4.1264 8.8141 111.2559 63.6659 68.5277 175.2758 *30 T 4.2822 8.2041 115.2291 62.5165 70.8540 174.6034 31 R 3.4459 7.8992 119.6591 55.7983 30.6189 177.0722 32 F 4.6111 7.5926 120.6805 58.0600 38.1063 174.7053 33 H 4.7549 8.6513 121.9510 56.7008 29.9935 174.7912 34 H 4.8343 8.4345 118.8980 54.6918 32.4358 172.1121 35 S 4.8769 8.6472 120.5897 57.2070 64.5301 173.3424 36 E 4.4563 8.4344 127.1164 55.5683 32.3831 174.8984 37 K 4.8301 8.6671 131.0618 54.9770 33.0469 172.8601 38 L 4.9990 8.9944 123.1763 52.6608 45.6967 175.5333 39 D 5.1623 10.1329 123.3017 51.8375 44.0499 175.6715 40 K 4.0174 8.6570 121.9355 59.1398 32.0810 176.9282 41 G 4.0160 9.3777 116.1885 45.0147 0.0000 173.1226 42 E 4.3196 8.3387 119.8869 56.1485 30.9632 175.9158 43 V 4.9378 8.2577 121.4209 61.0393 34.4187 174.2224 44 L 4.7178 9.0743 129.7381 53.2979 44.8369 174.9891 45 I 4.8661 8.4575 126.5056 59.8377 38.6992 174.3982 46 A 4.6567 9.0997 130.3950 50.1295 20.9756 175.2382 47 Q 4.9846 8.4899 123.5051 54.3459 31.4689 174.8545 48 F 4.5219 8.7349 124.2777 57.5466 39.6263 175.8654 49 T 4.5814 8.4778 114.7310 59.7891 71.1433 174.3042 50 E 4.1701 8.7739 118.6459 59.8249 29.8166 177.8327 51 H 4.1009 8.5035 115.5543 57.9027 28.8328 174.8807 52 T 4.8042 7.6016 115.4316 61.8080 69.0741 174.0012 53 S 4.5204 8.9487 122.4214 60.5354 63.8652 174.5996 54 A 5.1214 8.0608 120.6911 49.6618 22.8784 174.7003 55 I 4.9221 8.4768 119.4200 59.4123 40.5135 174.7919 56 K 4.5337 9.2116 128.8190 54.5428 34.6386 174.9004 57 V 4.8117 8.3434 126.2810 61.2983 33.7848 174.5006 58 R 4.4880 9.0515 127.9496 54.8991 32.1714 175.3976 59 G 4.1439 8.8941 109.1856 43.0644 0.0000 173.0302 60 K 5.0663 9.3439 119.2372 55.5747 32.7153 176.5942 61 A 5.1086 8.7094 126.2906 50.6245 23.5330 173.6559 62 Y 4.9970 9.2531 121.4427 56.0908 41.0184 174.5961 63 I 4.9392 8.4968 127.2236 59.5527 41.0539 174.2054 64 Q 4.9489 9.0862 126.4851 54.3070 31.3014 174.9321 65 T 4.7676 8.5934 112.9734 59.3472 72.4204 174.7088 66 R 3.9232 8.5269 121.7214 59.5665 29.8509 176.4435 67 H 4.7117 7.5293 112.2355 55.3328 29.1020 173.4663 68 G 3.6906 7.9562 106.7118 44.1958 0.0000 173.5794 69 V 4.5619 7.8339 111.5834 60.4806 33.7678 175.4226 70 I 4.3644 8.1144 120.4468 60.1853 41.8886 172.4345 71 E 5.2492 8.7693 128.2469 54.4030 31.7631 174.9995 72 S 4.6576 9.0749 122.4303 56.6133 65.0690 174.7331 73 E 5.0359 8.3493 123.7636 55.5801 30.0985 176.1981 74 G 3.7479 8.0222 111.9624 45.9558 0.0000 173.5170 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 7 S 8.33 4.48 0.00 3.93 4.03 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 0.00 0.00 0.00 0.00 8 D 7.99 4.87 0.00 2.81 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.83 5.53 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.10 4.66 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 0.66 0.00 0.00 0.86 0.00 0.00 11 V 8.59 4.77 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 1.02 0.00 0.00 1.16 0.00 0.00 12 I 8.97 4.97 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.60 0.92 0.00 0.00 13 K 9.38 5.04 0.00 1.87 1.81 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.78 4.63 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.01 4.61 0.00 1.60 1.72 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.73 4.78 0.00 1.91 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 2.17 2.34 0.00 17 D 8.71 4.61 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.36 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 19 V 7.82 4.00 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 1.04 0.00 0.00 1.05 0.00 0.00 20 N 9.32 5.09 0.00 2.80 2.61 0.00 0.00 6.66 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 V 8.69 4.56 2.05 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 0.87 0.00 0.00 0.91 0.00 0.00 22 I 8.91 4.66 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.41 0.94 0.00 0.00 23 G 9.53 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.90 4.84 0.00 1.81 1.58 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.81 4.13 4.33 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 1.40 0.00 0.00 *30 T 8.20 4.28 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 31 R 7.90 3.45 0.00 1.69 1.63 0.00 3.13 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.45 0.00 32 F 7.59 4.61 0.00 3.04 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 33 H 8.65 4.75 0.00 3.13 3.64 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.43 4.83 0.00 3.36 3.24 0.00 5.76 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.65 4.88 0.00 3.92 3.72 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 0.00 0.00 0.00 0.00 36 E 8.43 4.46 0.00 2.00 1.78 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 2.18 2.28 0.00 37 K 8.67 4.83 0.00 1.58 1.57 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.64 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.35 1.04 7.81 38 L 8.99 5.00 0.00 1.52 1.53 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 39 D 10.13 5.16 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.66 4.02 0.00 1.83 1.79 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.51 7.81 41 G 9.38 4.02 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 0.00 0.00 0.00 42 E 8.34 4.32 0.00 2.09 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 2.32 2.26 0.00 43 V 8.26 4.94 2.09 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.07 4.72 0.00 1.74 1.46 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.46 4.87 1.72 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.91 0.59 0.00 0.00 46 A 9.10 4.66 1.10 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 0.00 0.00 47 Q 8.49 4.98 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 48 F 8.73 4.52 0.00 3.07 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 49 T 8.48 4.58 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 50 E 8.77 4.17 0.00 2.12 2.16 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 2.35 2.36 0.00 51 H 8.50 4.10 0.00 3.16 3.49 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.60 4.80 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 53 S 8.95 4.52 0.00 3.92 4.03 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 0.00 0.00 0.00 0.00 54 A 8.06 5.12 1.26 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 0.00 0.00 0.00 55 I 8.48 4.92 1.80 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.59 0.83 0.00 0.00 56 K 9.21 4.53 0.00 1.66 1.54 0.00 1.35 0.00 0.00 1.46 0.00 0.00 2.71 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.28 7.81 57 V 8.34 4.81 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 0.87 0.00 0.00 0.91 0.00 0.00 58 R 9.05 4.49 0.00 1.76 1.80 0.00 3.15 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 1.53 1.52 0.00 59 G 8.89 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 60 K 9.34 5.07 0.00 1.90 1.79 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.25 7.81 61 A 8.71 5.11 1.23 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 0.00 0.00 0.00 62 Y 9.25 5.00 0.00 2.95 2.83 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 63 I 8.50 4.94 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.58 0.90 0.00 0.00 64 Q 9.09 4.95 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.63 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 65 T 8.59 4.77 4.12 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 0.00 0.00 1.17 0.00 0.00 66 R 8.53 3.92 0.00 1.57 1.77 0.00 3.18 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 67 H 7.53 4.71 0.00 3.19 3.25 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.96 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 69 V 7.83 4.56 1.54 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 0.65 0.00 0.00 0.99 0.00 0.00 70 I 8.11 4.36 1.83 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 1.10 1.15 0.90 0.00 0.00 71 E 8.77 5.25 0.00 2.10 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 72 S 9.07 4.66 0.00 3.92 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 73 E 8.35 5.04 0.00 1.94 1.95 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 2.21 2.27 0.00 74 G 8.02 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.