NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9075 8.4545 109.7364 44.9456 0.0000 175.3636 3 K 3.8366 9.4644 122.4132 56.4046 33.2296 178.1517 4 G 4.0526 8.2789 111.3853 48.2187 0.0000 176.7617 5 T 2.9844 7.6171 109.2146 60.1619 71.1934 171.4697 6 P 4.3057 0.0000 0.0000 66.1907 32.7361 180.1606 7 S 4.8987 9.2202 123.4637 55.9621 60.4863 177.7895 *8 F 3.6904 8.8900 117.0780 59.7567 37.2280 175.3005 9 G 4.1601 7.7353 112.0603 46.0804 0.0000 174.0785 10 K 4.4920 7.5595 117.3987 54.3755 35.6352 178.7737 11 R 3.9533 7.8484 118.3057 59.3702 29.1265 182.2265 *12 H 4.6728 8.3475 119.9213 54.4648 30.5334 170.3925 13 N 5.1896 8.1610 120.5424 52.6651 40.8927 176.7001 14 K 4.7368 8.3578 117.1544 56.4478 35.7586 172.1269 15 S 4.9200 8.6094 111.4847 59.9425 65.7960 172.4284 *16 H 4.6456 8.5908 119.9313 55.9826 28.3365 178.9258 17 T 3.3450 10.0849 106.4512 62.7339 67.6841 176.2523 18 L 3.8294 7.6808 129.4692 56.9354 41.0736 180.4214 19 C 4.8423 8.1670 121.9705 56.3402 46.4952 174.8184 20 N 4.2719 7.8243 123.7756 53.9099 42.6538 176.1329 21 R 4.7057 7.5633 117.4510 55.7895 33.3887 183.1078 22 C 4.1991 10.4961 115.5484 54.7811 39.5421 175.6841 23 G 3.8301 9.4877 104.4957 47.4925 0.0000 174.7498 24 R 4.3860 7.5075 114.9980 56.8376 30.7861 177.7869 25 R 3.7631 8.1669 123.4099 58.8226 27.2418 179.2165 26 S 5.0286 7.8759 125.0221 58.3843 65.4310 175.1521 *27 F 4.7265 8.5181 124.9369 56.5702 40.9350 178.5099 *28 H 4.3298 9.4113 127.5067 55.6162 26.0358 174.7341 29 V 3.4470 7.9181 123.8639 64.0621 32.6228 178.3194 30 Q 4.2103 8.1730 120.6566 58.1727 28.3367 180.2629 31 K 4.0282 8.0301 121.5328 55.8890 32.1187 177.0516 32 K 3.9436 9.8991 128.7673 55.8282 31.7550 174.7210 33 T 3.4412 8.8751 127.0505 60.3270 68.6327 168.9616 34 C 4.8955 8.6463 124.2853 56.5230 45.8301 171.5512 35 S 3.8986 9.1294 110.8954 62.2168 62.3183 168.4766 36 S 4.5528 8.5873 120.0162 59.6868 70.0800 183.8224 37 C 4.7773 9.4447 112.5403 55.5538 37.5568 175.3246 38 G 3.8746 7.8974 117.1919 45.4525 0.0000 168.9588 *39 Y 3.9310 7.9551 120.6958 57.8385 37.1608 175.2995 40 P 4.9910 0.0000 0.0000 59.9400 34.4681 172.4893 41 A 3.5923 7.8311 114.6819 55.6664 16.8904 182.6581 42 A 3.2105 8.9713 118.9204 54.6781 20.2364 179.4882 43 K 4.0488 8.9887 118.0689 55.8597 29.9462 179.2792 44 T 3.6293 8.4393 120.5086 62.4919 67.8203 174.3290 45 R 3.9292 7.9338 125.2809 56.6406 26.5724 179.3218 46 S 4.9740 7.9449 126.9800 57.6359 64.3035 173.8567 *47 Y 4.6485 7.5388 122.8790 59.8891 39.8859 174.9997 48 N 4.7858 8.5536 120.3459 52.7522 38.9161 172.6153 *49 W 4.0608 8.7705 118.6695 55.4607 30.2497 173.9682 50 G 3.7425 7.2004 111.6962 45.1581 0.0000 171.9406 51 A 4.5648 7.7726 130.8168 50.8968 21.7292 176.8179 52 K 4.3198 8.5187 115.2284 55.3354 33.5294 170.1637 53 A 3.8020 9.0188 131.0374 52.9046 16.2342 178.8892 54 K 4.1520 8.1597 119.6352 54.1460 34.6004 183.8382 55 R 4.0261 8.8949 123.0871 56.3961 28.4384 178.0801 56 R 4.6164 8.4960 113.5366 57.3077 32.8684 170.7168 *57 H 4.9244 8.9866 121.2727 52.9180 31.4035 170.9678 58 T 3.8138 9.1908 109.9081 62.8542 67.3842 169.8081 59 T 4.5971 7.0883 113.4744 59.4619 70.0939 181.9641 60 G 3.9782 9.0668 106.6162 49.8348 0.0000 175.4333 61 T 4.1000 9.0334 110.7623 61.4853 67.9608 180.1018 62 G 4.0127 7.9764 111.8884 47.5004 0.0000 175.8787 63 R 4.2812 7.8797 119.4924 56.8418 31.0925 180.9837 64 M 3.9063 8.4358 116.0350 57.2634 29.9599 185.0000 65 R 3.4425 8.9640 115.8341 59.5794 31.1933 181.9051 *66 Y 4.3275 8.5612 120.8544 55.8875 36.2073 179.9282 67 L 6.3000 7.7591 131.4337 55.6828 45.0504 177.9760 68 K 4.2189 7.5425 123.6487 57.9286 30.5449 183.0531 *69 H 4.5916 9.5140 114.6676 56.8762 27.9432 177.5547 70 V 4.3019 7.7002 118.5743 61.4007 31.5009 181.9349 71 S 5.9264 7.5708 127.1377 60.2242 64.2714 182.3757 72 R 4.2624 8.3886 123.2413 59.6627 29.7372 181.9909 73 R 4.2555 7.6777 118.6450 57.3912 30.2447 178.3358 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 9.46 3.84 0.00 1.87 1.78 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.07 7.81 4 G 8.28 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.62 2.98 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 4.31 0.00 2.08 2.01 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 9.22 4.90 0.00 3.63 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 *8 F 8.89 3.69 0.00 2.32 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 9 G 7.74 4.16 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 0.00 0.00 0.00 10 K 7.56 4.49 0.00 1.72 1.64 0.00 1.83 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 1.25 0.99 7.81 11 R 7.85 3.95 0.00 1.85 1.81 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 1.47 0.00 *12 H 8.35 4.67 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 8.16 5.19 0.00 2.68 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 8.36 4.74 0.00 1.71 1.56 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.00 7.81 15 S 8.61 4.92 0.00 3.56 3.67 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 *16 H 8.59 4.65 0.00 2.78 2.54 0.00 7.31 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 10.08 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 7.68 3.83 0.00 1.71 0.74 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 19 C 8.17 4.84 0.00 2.68 1.99 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 20 N 7.82 4.27 0.00 2.62 2.67 0.00 0.00 6.75 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 21 R 7.56 4.71 0.00 1.70 1.80 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 1.54 1.15 0.00 22 C 10.50 4.20 0.00 2.83 2.77 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 23 G 9.49 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 24 R 7.51 4.39 0.00 1.82 1.79 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 1.46 1.16 0.00 25 R 8.17 3.76 0.00 1.96 1.84 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 1.46 1.17 0.00 26 S 7.88 5.03 0.00 3.37 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 8.52 4.73 0.00 2.02 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 9.41 4.33 0.00 2.59 3.03 0.00 7.18 0.00 0.00 0.00 0.00 6.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.92 3.45 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 8.17 4.21 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.07 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 31 K 8.03 4.03 0.00 1.77 1.75 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.00 7.81 32 K 9.90 3.94 0.00 1.95 1.87 0.00 1.89 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 1.23 7.81 33 T 8.88 3.44 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 8.65 4.90 0.00 2.68 2.97 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 35 S 9.13 3.90 0.00 3.76 3.85 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 0.00 0.00 0.00 36 S 8.59 4.55 0.00 3.51 3.07 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 37 C 9.44 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 7.90 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 0.00 0.00 0.00 *39 Y 7.96 3.93 0.00 2.34 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 0.00 0.00 0.00 40 P 0.00 4.99 0.00 1.95 1.95 0.00 3.80 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 7.83 3.59 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 42 A 8.97 3.21 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 43 K 8.99 4.05 0.00 1.88 1.69 0.00 1.94 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.23 7.81 44 T 8.44 3.63 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 7.93 3.93 0.00 1.99 1.88 0.00 3.18 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 46 S 7.94 4.97 0.00 3.58 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 *47 Y 7.54 4.65 0.00 2.34 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 0.00 0.00 0.00 0.00 48 N 8.55 4.79 0.00 2.66 2.59 0.00 0.00 6.25 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 8.77 4.06 0.00 2.45 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 7.20 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 4.56 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 8.52 4.32 0.00 1.75 1.61 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.10 0.81 7.81 53 A 9.02 3.80 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 54 K 8.16 4.15 0.00 1.74 1.43 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 0.95 7.81 55 R 8.89 4.03 0.00 2.00 1.93 0.00 3.18 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 1.43 1.18 0.00 56 R 8.50 4.62 0.00 1.75 1.66 0.00 3.18 0.00 0.00 3.26 7.33 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 8.99 4.92 0.00 2.88 2.87 0.00 7.16 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 9.19 3.81 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 4.60 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 9.07 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 61 T 9.03 4.10 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 7.98 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 0.00 0.00 0.00 63 R 7.88 4.28 0.00 1.87 1.83 0.00 3.29 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.44 0.00 64 M 8.44 3.91 0.00 1.98 1.84 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 8.96 3.44 0.00 1.80 1.88 0.00 3.22 0.00 0.00 3.37 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.17 0.00 *66 Y 8.56 4.33 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 7.76 6.30 0.00 1.70 1.58 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.54 4.22 0.00 1.71 1.11 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.28 7.81 *69 H 9.51 4.59 0.00 2.93 2.97 0.00 7.16 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 70 V 7.70 4.30 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 0.69 0.00 0.00 0.93 0.00 0.00 71 S 7.57 5.93 0.00 3.65 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 72 R 8.39 4.26 0.00 1.79 1.86 0.00 3.28 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 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 1.04 0.00 * Residues marked with a * may have inaccurate shift predictions.