NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1114 8.0549 120.3130 60.9327 32.7622 175.1984 3 L 3.9526 8.3241 122.7601 52.8055 42.2912 176.4101 4 S 4.3701 8.6090 117.4947 58.1455 65.9685 174.9171 5 Q 3.9335 8.5695 123.3516 59.2634 28.9319 178.2771 6 R 3.9027 8.0647 119.2347 59.9410 30.0295 178.3748 7 Q 4.0654 8.1708 117.5114 58.8863 28.6270 178.6758 8 R 3.9307 8.4405 120.2508 59.5317 30.1289 178.3557 9 D 4.3465 8.5721 119.2003 57.2660 40.7238 178.6586 10 E 4.0631 8.1982 118.8827 59.2394 29.4304 179.0182 11 L 4.0132 8.1511 120.4540 58.3720 42.0908 178.8217 12 N 4.5857 8.4641 116.5397 56.5262 38.4786 177.7040 13 R 3.7896 8.0631 119.2846 58.9430 29.9903 178.9414 14 A 4.1968 8.1146 120.7824 55.1592 18.3006 179.8014 15 I 3.6002 8.1787 118.3965 64.3394 37.1800 178.2945 16 A 4.3483 8.4775 121.9561 55.5915 17.8016 179.1662 17 D 4.2693 8.3620 116.3647 57.5266 41.2862 177.6794 18 Y 4.1188 8.2216 119.9993 60.8095 38.8712 178.1962 19 L 4.0966 8.3139 119.9903 57.8373 41.6254 179.6214 20 R 3.6881 7.8828 120.0945 58.7404 29.7309 178.6364 21 S 4.1115 7.9537 112.5670 60.2732 63.2408 175.0083 22 N 4.4822 7.5326 118.1816 52.5336 38.6466 175.6703 23 G 3.7134 7.4821 109.3548 45.3436 0.0000 174.9742 24 Y 4.5225 7.0697 119.7344 57.1097 34.0145 175.8763 25 E 4.1407 7.8675 122.8776 59.2821 30.3845 178.8530 26 E 4.0371 8.2414 118.0994 59.4067 29.5955 179.0898 27 A 4.0884 8.0871 120.4046 55.0574 18.4380 178.6989 28 Y 4.3034 8.3713 118.2709 61.0906 38.7398 178.3492 29 S 3.8406 8.1834 113.7943 61.4525 62.4498 176.3900 30 V 3.5650 7.7396 120.6421 65.9109 31.2756 177.7437 31 F 4.1654 8.6664 120.8672 61.3113 39.2131 177.2452 32 K 3.7029 8.1869 118.2652 59.0457 31.4073 179.5197 33 K 3.8398 7.6577 118.6417 59.5538 31.8095 179.3170 34 E 3.8215 8.1607 117.4045 59.3524 29.4168 178.1691 35 A 3.8825 7.7837 118.9199 51.9856 19.1209 176.6569 36 E 3.6561 7.2847 114.4876 57.2016 27.0901 174.2639 37 L 4.6178 8.2769 118.9882 53.1863 45.3988 175.1518 38 D 4.7376 8.3090 124.8211 52.4219 43.6904 174.7659 *40 N 4.5839 8.1149 117.1409 52.9428 39.5576 174.5161 41 E 3.9311 8.5061 119.3777 59.1914 29.5043 178.0458 42 E 3.9460 8.2219 118.9485 59.3980 29.7937 178.6681 43 L 4.1984 8.9432 119.2374 57.9039 41.4687 179.0840 44 D 4.6988 8.1629 119.4349 56.8954 40.9998 178.9763 45 K 4.1630 8.2536 118.7341 59.2849 31.8500 179.4296 46 K 3.8841 8.1999 119.1055 59.1233 32.5107 177.5298 47 Y 4.4324 8.1987 114.4852 56.3929 38.0022 175.0887 48 A 4.4760 6.6024 124.4634 53.0565 18.7276 178.5788 49 G 4.0448 9.0943 111.2261 46.0994 0.0000 175.0524 50 L 3.9631 8.0161 121.8041 58.0594 42.0137 178.5259 51 L 3.9868 7.9906 119.8492 58.1903 41.9044 178.3636 52 E 3.9676 8.1983 117.6479 58.9775 29.8275 178.0905 53 K 4.0983 8.4440 120.0140 59.6910 32.2967 178.9080 54 K 4.0180 8.3351 118.6824 59.2608 31.7880 179.0226 55 W 4.3152 8.4400 128.0854 60.0709 30.5364 177.0481 56 T 4.4230 7.4808 106.9114 61.7884 68.8305 175.7276 57 S 4.5779 7.8272 117.8448 59.0524 63.5507 176.2325 58 V 3.5155 7.5302 121.5892 66.2352 31.2461 177.8074 59 I 3.6767 7.5785 118.9064 64.2411 37.0159 178.2018 60 R 3.8578 7.9212 119.1434 59.4784 29.8342 178.4372 61 L 4.0509 8.2504 119.0289 57.5669 41.4300 179.2684 62 Q 3.9726 8.0864 117.5049 59.0020 28.7599 178.7585 63 K 4.0732 7.9951 118.2645 59.3707 32.2941 179.0498 64 K 4.1275 7.9999 119.8629 59.2959 32.0529 178.9921 65 V 3.6204 7.7613 115.9646 64.3962 31.6482 176.7448 *67 E 4.2348 8.0725 119.3706 56.0877 31.4508 177.8997 68 L 3.9613 8.2806 118.7930 57.9261 41.6488 179.1619 69 E 3.9343 8.4738 118.9222 59.6361 29.4033 179.5079 70 S 4.1001 8.0304 112.5330 61.0319 62.5377 176.2656 71 K 3.9703 7.9781 121.3971 59.5378 31.6455 179.3241 72 L 4.0359 7.9184 117.9786 57.7310 41.4772 179.2110 73 N 4.5036 8.2787 116.8741 56.3029 38.3665 177.3647 74 E 4.1128 8.1354 117.2296 58.9134 29.8891 178.3634 75 A 4.2654 7.8384 120.1212 53.2190 18.5533 177.7819 76 K 4.5576 7.4874 115.1862 56.0799 33.1193 176.1782 77 E 4.2573 8.2439 124.0386 56.5500 29.6536 176.0367 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 V 8.05 4.11 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 0.92 0.00 0.00 0.94 0.00 0.00 3 L 8.32 3.95 0.00 1.76 1.67 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.61 4.37 0.00 4.06 4.01 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 5 Q 8.57 3.93 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 6 R 8.06 3.90 0.00 1.93 1.95 0.00 3.26 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.78 0.00 7 Q 8.17 4.07 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 8 R 8.44 3.93 0.00 1.99 2.21 0.00 3.17 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 9 D 8.57 4.35 0.00 2.92 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.06 0.00 2.29 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 2.54 2.55 0.00 11 L 8.15 4.01 0.00 1.81 1.85 0.96 0.57 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 12 N 8.46 4.59 0.00 2.86 2.95 0.00 0.00 7.08 7.93 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 13 R 8.06 3.79 0.00 1.08 0.75 0.00 2.89 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.62 0.00 14 A 8.11 4.20 1.55 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 15 I 8.18 3.60 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.76 0.24 0.00 0.00 16 A 8.48 4.35 1.73 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 17 D 8.36 4.27 0.00 3.01 2.81 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 18 Y 8.22 4.12 0.00 3.12 3.12 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 0.00 19 L 8.31 4.10 0.00 2.05 2.05 0.86 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.88 3.69 0.00 0.67 1.50 0.00 2.98 0.00 0.00 3.01 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 0.00 21 S 7.95 4.11 0.00 3.95 3.88 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 0.00 0.00 0.00 22 N 7.53 4.48 0.00 2.11 2.34 0.00 0.00 7.23 7.70 0.00 0.00 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 7.48 3.71 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 0.00 0.00 0.00 24 Y 7.07 4.52 0.00 3.17 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 25 E 7.87 4.14 0.00 2.01 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 2.50 2.33 0.00 26 E 8.24 4.04 0.00 2.04 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 2.45 2.36 0.00 27 A 8.09 4.09 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 28 Y 8.37 4.30 0.00 3.15 3.24 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 29 S 8.18 3.84 0.00 3.96 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 3.57 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 1.01 0.00 0.00 31 F 8.67 4.17 0.00 3.23 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 32 K 8.19 3.70 0.00 1.56 1.82 0.00 1.51 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.29 1.23 7.81 33 K 7.66 3.84 0.00 1.83 1.79 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.53 7.81 34 E 8.16 3.82 0.00 1.86 1.97 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 2.31 2.43 0.00 35 A 7.78 3.88 0.59 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 0.00 0.00 36 E 7.28 3.66 0.00 2.02 1.92 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 2.17 2.30 0.00 37 L 8.28 4.62 0.00 1.31 1.24 0.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.31 4.74 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.11 4.58 0.00 3.05 3.05 0.00 0.00 5.59 7.66 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 41 E 8.51 3.93 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 2.39 2.45 0.00 42 E 8.22 3.95 0.00 2.10 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 2.42 2.43 0.00 43 L 8.94 4.20 0.00 1.85 1.85 0.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.16 4.70 0.00 2.87 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 45 K 8.25 4.16 0.00 1.96 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.71 7.81 46 K 8.20 3.88 0.00 1.81 1.94 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.92 1.30 7.81 47 Y 8.20 4.43 0.00 3.39 3.06 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 0.00 0.00 0.00 0.00 48 A 6.60 4.48 1.35 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 49 G 9.09 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 50 L 8.02 3.96 0.00 1.93 1.90 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.99 3.99 0.00 1.98 1.63 0.90 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.20 3.97 0.00 2.19 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 0.00 2.40 2.49 0.00 53 K 8.44 4.10 0.00 2.03 2.00 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.52 7.81 54 K 8.34 4.02 0.00 2.06 1.91 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.67 7.81 55 W 8.44 4.32 0.00 3.44 3.32 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 56 T 7.48 4.42 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 1.42 0.00 0.00 57 S 7.83 4.58 0.00 4.06 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 58 V 7.53 3.52 1.96 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 1.08 0.00 0.00 0.81 0.00 0.00 59 I 7.58 3.68 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 0.89 0.00 0.00 60 R 7.92 3.86 0.00 1.86 2.09 0.00 3.17 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 61 L 8.25 4.05 0.00 1.76 1.68 0.91 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.09 3.97 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 63 K 8.00 4.07 0.00 1.85 1.87 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.54 7.81 64 K 8.00 4.13 0.00 1.90 1.94 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.44 7.81 65 V 7.76 3.62 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 1.01 0.00 0.00 0.98 0.00 0.00 *67 E 8.07 4.23 0.00 2.17 2.13 0.00 0.00 0.00 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 2.34 0.00 68 L 8.28 3.96 0.00 1.86 1.69 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.47 3.93 0.00 1.98 2.00 0.00 0.00 0.00 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 2.43 0.00 70 S 8.03 4.10 0.00 3.88 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 71 K 7.98 3.97 0.00 2.02 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.62 7.81 72 L 7.92 4.04 0.00 1.81 1.73 0.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.28 4.50 0.00 2.86 2.85 0.00 0.00 6.72 7.18 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 74 E 8.14 4.11 0.00 2.13 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 0.00 2.63 2.32 0.00 75 A 7.84 4.27 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.49 4.56 0.00 1.76 1.77 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.46 7.81 77 E 8.24 4.26 0.00 2.08 1.84 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 2.36 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.