NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *12 F 4.6643 8.4245 119.0089 56.7515 39.9868 174.3571 13 Q 4.3727 8.3192 111.7733 56.4827 31.0685 172.7889 14 K 4.1570 8.8804 123.2029 59.9247 32.2990 182.8423 15 V 3.8345 7.7133 112.4986 64.3358 31.5163 178.5494 16 V 3.7493 7.8229 119.9900 66.8125 31.5528 178.4258 17 E 4.1085 8.3198 120.4216 61.6701 29.4506 181.6477 18 Q 4.2809 8.1764 123.6204 60.8542 28.2579 181.7293 19 K 4.3629 9.2998 129.5253 60.2980 31.6506 181.6547 20 Q 4.3369 8.8708 124.0185 61.0347 28.0542 181.8968 21 M 4.4284 8.0501 124.3454 60.2515 31.2294 181.5996 22 K 4.3738 8.4954 126.9307 60.1910 32.1846 181.1373 23 D 4.7700 8.4190 122.4958 58.4061 39.6255 180.7733 24 F 4.2752 8.4578 122.4632 61.3961 39.3086 177.1920 25 M 4.3356 8.5543 120.5228 58.8776 31.6190 179.1631 26 R 4.0025 7.9373 121.6706 60.8397 29.5448 182.8172 27 L 4.0774 7.8941 119.8369 58.4593 41.9404 178.3940 28 Y 4.2786 7.5241 118.7974 60.9595 38.6167 178.5051 29 S 3.7543 7.8532 113.3286 61.5772 62.4952 175.9204 30 N 4.2166 8.5126 119.4788 56.0083 38.1315 177.3122 31 L 3.5483 8.6480 122.8999 57.8942 42.1844 178.9846 32 V 3.3959 7.6311 118.5191 66.0995 31.4002 177.6025 33 E 3.8735 8.1844 119.0891 59.0501 29.4728 178.6923 34 R 3.6545 7.9987 119.0436 59.7710 30.1636 177.9874 35 C 4.3412 8.2362 116.0975 59.4240 34.3872 175.9329 36 F 4.0402 8.4476 122.9279 61.4063 38.7606 177.4087 37 T 3.8653 7.7730 114.4515 66.7561 68.3848 176.0449 38 D 4.4877 7.8627 118.7588 55.9455 41.0450 176.6093 39 C 4.4862 7.8218 115.5919 57.5840 41.9480 174.0307 40 V 4.0935 7.2665 119.3037 60.7660 29.7423 174.7561 41 N 4.7762 8.1836 122.3218 51.8266 38.5427 173.7824 42 D 4.7112 7.4049 118.8165 52.6522 42.8302 175.6955 43 F 4.9297 8.3273 126.5779 57.5037 40.0540 175.8345 44 T 4.2626 7.8268 110.3840 63.0096 69.3256 173.8557 45 T 4.7300 7.4146 117.1720 62.6641 72.6345 173.3360 46 S 4.7716 8.5975 115.7359 58.3967 63.4903 174.5307 47 K 4.7157 7.5192 119.1822 53.8760 35.2585 175.9850 48 L 4.2090 8.4284 122.5031 55.0969 42.5098 178.6000 49 T 4.2516 8.5618 114.1120 61.1360 71.8015 174.6895 50 N 4.3931 8.5240 117.3922 57.1398 38.9706 177.5110 51 K 4.1212 7.8379 120.7544 59.0221 32.0387 179.0656 52 E 3.9118 8.1616 118.8299 59.2654 29.2471 179.4592 53 Q 4.0187 7.7452 117.3893 58.8279 28.6628 178.5801 54 T 3.8066 7.8034 110.7413 65.0528 68.8404 175.3463 55 C 4.0891 8.3451 122.5108 59.4808 44.4810 175.8925 56 I 3.7652 7.9668 120.9203 64.1520 36.5710 178.2586 57 M 4.0070 8.1064 119.4617 58.5779 32.1946 178.3809 58 K 3.9581 8.3054 118.9230 59.5792 32.2029 178.3737 59 C 4.1990 8.6431 119.0157 59.8689 44.5707 175.5821 60 S 4.1748 8.2260 116.6896 61.7762 62.4359 176.3409 61 E 3.9168 8.2329 121.5148 59.2322 29.3832 178.4325 62 K 3.8620 8.5848 119.9193 59.6899 32.2072 178.4468 63 F 4.2355 8.6759 120.9645 61.3555 39.3579 177.0919 64 L 3.9217 8.3518 121.2190 58.1925 41.3332 180.2455 65 K 3.9219 8.4193 123.9712 60.0532 31.7285 180.1608 66 H 4.1895 8.4085 120.1072 59.4342 29.6004 177.2299 67 S 3.7491 8.2588 114.6563 60.7921 62.0263 175.8632 68 E 3.8448 8.0239 122.3396 59.0913 29.5095 178.3597 69 R 4.1495 8.0746 120.4471 59.0265 30.1114 178.5082 70 V 3.6820 7.7939 117.8634 65.9761 31.4986 178.2018 71 G 3.6776 7.7490 105.6581 47.7177 0.0000 175.8049 72 Q 4.0395 8.0793 120.3397 58.9709 28.8139 179.0919 73 R 4.1272 8.1419 119.0862 59.2343 29.8647 178.8572 74 F 4.2701 8.5331 120.0362 61.3462 39.2948 176.9197 75 Q 4.0237 7.9987 117.3406 58.6635 28.4622 177.9924 76 E 4.0484 8.1397 121.5853 60.2831 29.5705 180.0249 77 Q 4.1238 8.2151 119.8484 59.2835 27.9306 179.8609 78 N 4.2985 7.3465 115.6895 56.8890 39.1008 176.3713 79 A 4.0633 7.6717 120.5423 53.5921 18.5155 177.1271 80 A 4.2341 7.2759 124.5085 52.1387 19.2841 176.6402 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 *12 F 8.42 4.66 0.00 2.32 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 0.00 0.00 0.00 0.00 13 Q 8.32 4.37 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.87 0.00 0.00 0.00 0.00 0.00 2.24 1.99 0.00 14 K 8.88 4.16 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.10 7.81 15 V 7.71 3.83 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 0.81 0.00 0.00 0.91 0.00 0.00 16 V 7.82 3.75 2.28 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 1.04 0.00 0.00 0.94 0.00 0.00 17 E 8.32 4.11 0.00 2.04 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 2.24 2.20 0.00 18 Q 8.18 4.28 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 19 K 9.30 4.36 0.00 1.58 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.33 7.81 20 Q 8.87 4.34 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 21 M 8.05 4.43 0.00 2.05 2.10 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 2.53 2.42 0.00 22 K 8.50 4.37 0.00 1.81 1.76 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.32 7.81 23 D 8.42 4.77 0.00 2.66 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.46 4.28 0.00 3.27 3.26 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 25 M 8.55 4.34 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.66 0.00 26 R 7.94 4.00 0.00 1.85 1.89 0.00 3.30 0.00 0.00 3.09 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 27 L 7.89 4.08 0.00 1.68 1.50 1.02 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 7.52 4.28 0.00 2.75 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 29 S 7.85 3.75 0.00 4.14 3.89 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 30 N 8.51 4.22 0.00 2.92 2.85 0.00 0.00 6.75 6.55 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 31 L 8.65 3.55 0.00 1.90 1.83 1.08 0.92 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 32 V 7.63 3.40 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 0.82 0.00 0.00 0.18 0.00 0.00 33 E 8.18 3.87 0.00 1.96 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 2.26 2.29 0.00 34 R 8.00 3.65 0.00 1.49 1.60 0.00 2.89 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.40 0.00 35 C 8.24 4.34 0.00 2.97 3.09 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 36 F 8.45 4.04 0.00 3.19 3.04 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 37 T 7.77 3.87 4.37 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 1.20 0.00 0.00 38 D 7.86 4.49 0.00 2.61 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.82 4.49 0.00 3.02 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 40 V 7.27 4.09 1.04 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 0.67 0.00 0.00 0.77 0.00 0.00 41 N 8.18 4.78 0.00 2.76 2.74 0.00 0.00 6.07 8.06 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 42 D 7.40 4.71 0.00 2.43 2.32 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 0.00 43 F 8.33 4.93 0.00 3.05 3.03 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 44 T 7.83 4.26 4.25 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 1.26 0.00 0.00 45 T 7.41 4.73 4.23 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 1.25 0.00 0.00 46 S 8.60 4.77 0.00 3.87 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.52 4.72 0.00 1.69 1.67 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.43 7.81 48 L 8.43 4.21 0.00 1.63 1.60 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.56 4.25 4.20 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 0.00 0.00 0.00 1.15 0.00 0.00 50 N 8.52 4.39 0.00 2.76 2.82 0.00 0.00 6.94 6.01 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 51 K 7.84 4.12 0.00 1.76 1.80 0.00 1.99 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.30 7.81 52 E 8.16 3.91 0.00 1.97 1.91 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 2.38 2.24 0.00 53 Q 7.75 4.02 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 54 T 7.80 3.81 4.23 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 1.26 0.00 0.00 55 C 8.35 4.09 0.00 3.05 3.33 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 56 I 7.97 3.77 2.02 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 1.40 0.72 0.93 0.00 0.00 57 M 8.11 4.01 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.63 0.00 58 K 8.31 3.96 0.00 1.93 1.85 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.64 7.81 59 C 8.64 4.20 0.00 2.95 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 60 S 8.23 4.17 0.00 4.15 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 61 E 8.23 3.92 0.00 2.08 2.15 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 2.33 2.34 0.00 62 K 8.58 3.86 0.00 1.89 2.08 0.00 1.61 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.59 7.81 63 F 8.68 4.24 0.00 3.21 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 64 L 8.35 3.92 0.00 1.93 1.70 0.97 0.88 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 65 K 8.42 3.92 0.00 1.73 1.82 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 66 H 8.41 4.19 0.00 3.20 3.53 0.00 5.75 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.26 3.75 0.00 3.23 3.65 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 68 E 8.02 3.84 0.00 2.15 2.12 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 2.28 2.30 0.00 69 R 8.07 4.15 0.00 1.90 2.00 0.00 3.41 0.00 0.00 3.18 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 70 V 7.79 3.68 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 0.89 0.00 0.00 0.81 0.00 0.00 71 G 7.75 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 72 Q 8.08 4.04 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.72 0.00 73 R 8.14 4.13 0.00 1.88 2.01 0.00 3.30 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 74 F 8.53 4.27 0.00 3.05 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 75 Q 8.00 4.02 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.82 2.58 0.00 76 E 8.14 4.05 0.00 2.14 1.98 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 2.32 2.64 0.00 77 Q 8.22 4.12 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 78 N 7.35 4.30 0.00 2.46 2.73 0.00 0.00 7.12 7.68 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 79 A 7.67 4.06 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 80 A 7.28 4.23 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 * Residues marked with a * may have inaccurate shift predictions.