NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.1619 8.3149 122.1495 53.2713 32.3164 174.9918 8 P 4.1347 0.0000 0.0000 61.2246 31.8275 176.3016 9 R 4.1050 8.6825 121.2105 56.2739 30.8732 174.2970 10 G 3.7522 8.2434 107.8554 44.6282 0.0000 173.9934 11 K 4.0209 7.7299 120.2071 56.6906 32.5900 176.2412 12 M 4.4034 8.0836 120.0723 53.0305 33.8438 176.3147 13 S 4.5391 8.3779 121.7686 57.9824 65.3101 175.0368 14 S 4.6293 8.7341 116.6257 61.9791 62.6360 175.8669 15 Y 3.2055 7.9692 122.4160 59.9190 38.6810 177.5195 16 A 3.6764 7.8841 121.7529 55.1110 18.4131 179.6407 17 F 4.0509 8.1498 116.3101 60.6271 38.9401 177.6667 18 F 3.0523 8.1101 120.6767 60.9090 39.0714 177.3728 19 V 2.9018 7.1873 117.7787 65.2646 31.1664 177.9542 20 Q 3.8368 7.6197 119.1804 59.4721 28.9565 178.2854 21 T 4.2430 7.9232 118.2465 66.3657 68.4716 176.5925 22 C 4.0829 7.9123 118.8750 62.5821 27.9769 176.0177 23 R 4.1179 8.0341 120.1818 58.9684 29.1085 178.4689 24 E 3.9534 8.1067 118.8002 59.3665 28.7201 178.8237 25 E 4.0390 8.3705 119.3746 59.4063 29.4329 178.2436 26 H 4.5920 8.1287 117.7507 58.5723 30.2351 176.9975 27 K 4.2036 8.0821 123.7490 60.1121 31.9200 179.5947 28 K 3.9593 7.8760 119.5445 56.9776 31.6560 179.4516 29 K 4.3880 7.5082 118.6395 58.4747 33.8417 177.6532 *30 H 4.8557 7.7652 116.5837 52.9258 28.9023 177.6564 31 P 4.4626 0.0000 0.0000 64.0259 31.2849 177.8617 32 D 4.5715 7.9928 116.6613 53.9033 40.6946 180.6004 33 A 3.8007 7.8256 121.8398 52.5936 17.3319 177.9987 34 S 4.0070 8.6281 120.8028 60.3777 62.8552 168.3957 35 V 3.1700 7.6630 133.6500 62.5407 29.6109 170.9688 36 N 4.8448 8.2494 125.3016 52.1551 40.5391 174.6513 37 F 4.4096 8.6021 127.3674 60.9943 39.2365 178.0166 38 S 4.1762 8.3018 112.4424 61.3208 62.2984 175.5795 39 E 4.1913 9.1386 120.1999 58.5785 29.7045 178.5713 40 F 4.1205 8.9115 122.6568 60.8381 39.4713 177.2238 41 S 4.0659 8.0092 113.0251 61.3459 62.2626 175.8916 42 K 3.8933 8.0065 121.3672 59.7049 31.9527 179.4753 43 K 4.4633 7.7169 119.8074 59.3340 32.4523 178.9605 44 C 4.1000 7.7237 118.3850 62.5870 27.6569 175.6886 45 S 4.6486 8.3561 115.0487 60.6536 62.7806 176.1171 46 E 3.8378 8.3603 122.8359 58.9514 29.1040 178.7961 47 R 4.0685 7.9455 118.6119 58.8651 29.7719 178.1983 48 W 4.0550 8.5649 128.1284 60.0743 30.3658 178.2173 49 K 3.9659 7.5030 118.1302 59.2671 31.6017 178.5081 50 T 4.2175 7.3411 106.8966 61.5739 69.1449 174.1446 51 M 4.5744 6.7063 120.2366 54.1143 33.9455 175.7173 52 S 4.5564 8.2033 115.6001 56.2430 65.1364 175.1572 53 A 3.9141 8.2055 124.3561 54.7306 18.1080 178.5821 54 K 4.5430 7.7911 112.1347 56.1492 33.9345 177.8096 55 E 3.9716 8.6059 119.0502 58.8739 29.5813 178.6604 56 K 4.5216 8.0009 118.4169 58.7946 32.2803 178.9668 57 G 3.9410 7.5018 105.9237 48.1293 0.0000 175.2505 58 K 3.7016 8.1273 121.0357 59.0634 32.0579 178.0321 59 F 4.3314 8.5174 117.4129 59.1847 39.4244 177.9037 60 E 4.2653 8.2352 117.9503 59.0318 29.3409 178.8087 61 D 4.3174 8.0984 119.3224 57.7314 40.9717 178.6341 62 M 3.7268 7.4288 118.5255 58.0320 31.7135 178.7755 63 A 4.5912 7.9383 123.1992 55.7598 18.6968 180.4879 64 K 4.0456 8.5991 122.4404 59.5722 31.6778 181.4150 65 A 4.1672 7.9939 120.8701 55.4895 18.3840 179.1784 66 D 4.5537 8.1669 115.6525 56.3690 41.1789 178.2905 67 K 4.0139 8.2003 120.4372 59.8039 32.3951 178.6021 68 A 4.5990 7.9169 121.9400 54.4566 18.2025 179.6546 69 R 3.8613 7.9917 117.5561 59.6929 30.1254 178.0020 70 Y 4.0541 7.8953 119.0448 60.8889 38.8699 177.9698 71 E 3.8849 8.0599 119.5319 59.5039 29.3579 179.4131 72 R 3.9147 7.6685 117.0982 59.3648 30.2902 178.0043 73 E 4.1570 8.1770 118.2922 59.0584 29.5732 178.9275 74 M 3.8550 7.9770 119.1246 58.1360 32.1096 177.9816 75 K 4.4615 7.7906 115.1296 57.2414 31.8210 177.3764 76 T 4.5734 7.6554 113.7253 62.8627 70.6180 173.4082 77 Y 4.2956 7.7964 127.3147 57.5805 38.7341 174.8159 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 K 8.31 4.16 0.00 1.79 1.73 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 8 P 0.00 4.13 0.00 1.86 1.86 0.00 3.07 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.97 0.00 9 R 8.68 4.11 0.00 1.83 1.73 0.00 3.26 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 10 G 8.24 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 11 K 7.73 4.02 0.00 1.59 1.73 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.31 0.86 7.81 12 M 8.08 4.40 0.00 1.04 1.59 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.68 0.00 13 S 8.38 4.54 0.00 4.17 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 14 S 8.73 4.63 0.00 4.49 4.44 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 0.00 0.00 0.00 0.00 15 Y 7.97 3.21 0.00 2.71 2.84 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 16 A 7.88 3.68 1.12 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 0.00 0.00 17 F 8.15 4.05 0.00 3.43 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 18 F 8.11 3.05 0.00 1.88 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 19 V 7.19 2.90 1.59 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 0.89 0.00 0.00 0.04 0.00 0.00 20 Q 7.62 3.84 0.00 2.19 2.23 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 2.52 2.34 0.00 21 T 7.92 4.24 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 22 C 7.91 4.08 0.00 2.68 2.72 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 23 R 8.03 4.12 0.00 1.87 2.10 0.00 2.91 0.00 0.00 2.40 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.58 0.00 24 E 8.11 3.95 0.00 2.25 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 2.45 0.00 25 E 8.37 4.04 0.00 2.30 2.17 0.00 0.00 0.00 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 2.37 0.00 26 H 8.13 4.59 0.00 3.36 3.52 0.00 6.00 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.08 4.20 0.00 2.00 1.95 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.41 7.81 28 K 7.88 3.96 0.00 1.83 1.73 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.26 7.81 29 K 7.51 4.39 0.00 2.31 1.96 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.24 7.81 *30 H 7.77 4.86 0.00 2.82 2.93 0.00 7.20 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.46 0.00 2.01 2.09 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.32 0.00 32 D 7.99 4.57 0.00 2.69 2.56 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 0.00 0.00 0.00 0.00 33 A 7.83 3.80 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 34 S 8.63 4.01 0.00 3.65 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 35 V 7.66 3.17 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 0.56 0.00 0.00 0.81 0.00 0.00 36 N 8.25 4.84 0.00 2.80 2.71 0.00 0.00 7.09 7.71 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 37 F 8.60 4.41 0.00 3.05 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 38 S 8.30 4.18 0.00 3.97 4.07 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 39 E 9.14 4.19 0.00 2.23 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 0.00 2.63 2.39 0.00 40 F 8.91 4.12 0.00 3.11 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 41 S 8.01 4.07 0.00 3.98 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 42 K 8.01 3.89 0.00 1.87 2.03 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.62 7.81 43 K 7.72 4.46 0.00 1.89 2.04 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.13 7.81 44 C 7.72 4.10 0.00 3.05 2.92 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 45 S 8.36 4.65 0.00 4.10 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 0.00 46 E 8.36 3.84 0.00 2.22 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 0.00 2.34 2.40 0.00 47 R 7.95 4.07 0.00 2.06 2.42 0.00 3.25 0.00 0.00 3.49 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.79 0.00 48 W 8.56 4.06 0.00 3.59 3.25 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 49 K 7.50 3.97 0.00 1.94 1.81 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.68 7.81 50 T 7.34 4.22 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 1.27 0.00 0.00 51 M 6.71 4.57 0.00 1.77 1.68 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.43 0.00 52 S 8.20 4.56 0.00 3.96 3.90 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 53 A 8.21 3.91 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 54 K 7.79 4.54 0.00 1.80 1.77 0.00 1.54 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.45 7.81 55 E 8.61 3.97 0.00 2.06 2.03 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 2.35 2.32 0.00 56 K 8.00 4.52 0.00 1.67 2.07 0.00 1.23 0.00 0.00 0.96 0.00 0.00 2.13 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.30 1.10 7.81 57 G 7.50 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.13 3.70 0.00 1.62 1.48 0.00 1.47 0.00 0.00 1.20 0.00 0.00 2.45 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.47 1.18 7.81 59 F 8.52 4.33 0.00 3.59 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.24 4.27 0.00 2.11 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 2.54 2.64 0.00 61 D 8.10 4.32 0.00 2.87 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 62 M 7.43 3.73 0.00 0.59 1.25 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.26 0.00 63 A 7.94 4.59 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.60 4.05 0.00 1.74 1.84 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 65 A 7.99 4.17 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 66 D 8.17 4.55 0.00 3.34 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 67 K 8.20 4.01 0.00 2.11 2.06 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.50 7.81 68 A 7.92 4.60 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.99 3.86 0.00 2.11 2.21 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 70 Y 7.90 4.05 0.00 3.08 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 71 E 8.06 3.88 0.00 2.05 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 2.43 2.60 0.00 72 R 7.67 3.91 0.00 2.07 2.07 0.00 3.42 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 73 E 8.18 4.16 0.00 2.05 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 2.30 2.54 0.00 74 M 7.98 3.86 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.63 0.00 75 K 7.79 4.46 0.00 1.78 1.83 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.64 7.81 76 T 7.66 4.57 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 1.23 0.00 0.00 77 Y 7.80 4.30 0.00 2.92 2.69 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 * Residues marked with a * may have inaccurate shift predictions.