NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 5.0823 8.4293 117.7892 56.0255 30.1830 172.0507 1 M 4.8134 9.3570 120.0943 51.6382 35.2344 172.5064 2 Q 5.0936 8.2579 117.7480 54.7200 31.7867 175.6230 3 I 4.6703 8.4409 114.6246 59.1289 41.7425 173.7272 4 F 5.3379 8.9266 121.5160 55.8141 41.6989 175.0413 5 V 4.6831 9.0025 123.5896 61.1821 33.5581 174.0670 6 K 5.0372 9.5670 130.8077 54.9015 34.7939 175.1271 7 T 5.0776 8.1775 115.7108 59.6395 71.5705 175.3431 8 L 4.0038 8.6183 121.4399 57.4721 41.6930 178.4053 9 T 4.1608 7.3376 107.1084 61.5947 69.1146 175.4689 10 G 4.0041 8.3196 111.8400 45.4304 0.0000 174.2837 11 K 3.9304 7.6126 121.7247 57.1922 32.5162 175.3651 12 T 5.2997 8.4014 122.0873 61.6758 72.0138 173.2184 13 I 4.8266 8.6794 117.6696 59.3844 40.9406 174.5826 14 T 4.9823 8.4784 113.6695 60.7570 71.0086 173.7363 15 L 4.7242 8.4309 121.4056 53.3911 46.7351 174.9325 16 E 4.9026 8.7117 122.0262 55.2241 30.7170 175.7075 17 V 4.7508 9.2898 117.5024 59.7676 36.8549 174.2570 18 E 4.8961 9.0530 120.8862 53.9111 32.0415 176.0076 19 P 4.2126 0.0000 0.0000 65.3483 31.5860 178.4386 20 S 4.3226 7.8263 110.7027 59.2174 64.0784 174.3331 21 D 4.3772 7.9256 122.9841 54.7621 41.3275 176.4732 22 T 4.7204 8.2464 113.9646 61.2012 71.3394 175.8623 23 I 3.7746 8.6147 122.7761 64.3811 36.9619 178.5497 24 E 3.9484 8.1289 119.9632 59.1148 29.4763 178.3730 25 N 4.2860 8.1851 116.6530 56.4783 38.6024 177.4471 26 V 3.5793 7.6481 118.9364 66.0283 31.5960 178.0623 27 K 4.1600 8.3167 119.2882 58.8569 31.8067 179.1448 28 A 3.9940 8.1111 121.0138 55.1546 18.2297 179.9073 29 K 3.9593 8.0884 117.0268 59.5382 32.0434 179.7532 30 I 3.7578 8.2015 120.7470 64.0995 36.9144 178.2230 31 Q 4.0869 8.2707 120.5493 59.5146 28.7586 177.9460 32 D 4.3522 8.0114 118.4130 57.2038 40.8571 178.4977 33 K 4.3112 7.6290 117.2016 57.4209 32.7825 177.2458 34 E 4.5169 8.3855 115.4583 54.8077 31.2775 175.6833 35 G 3.8517 8.6527 107.1515 46.9917 0.0000 174.3736 36 I 4.4052 7.5892 119.1327 58.1488 39.5758 174.4351 37 P 4.3331 0.0000 0.0000 62.1716 32.0427 175.7237 38 P 4.3086 0.0000 0.0000 65.6885 31.4632 178.4241 39 D 4.4145 8.0769 116.3032 55.7138 39.6986 176.8009 40 Q 4.6818 8.0173 117.1958 54.8507 28.7998 174.2632 41 Q 4.9385 7.8966 118.0475 53.9522 31.7905 174.4800 42 R 4.7794 9.0096 123.8932 54.4684 33.3038 173.8992 43 L 5.1644 8.4874 125.5837 53.2730 44.2299 175.2276 44 I 4.9841 9.0787 124.5038 59.4395 40.8244 174.3796 45 F 5.1061 9.1058 128.3837 56.7625 42.7426 174.4824 46 A 3.5582 8.9799 128.5214 53.1581 15.8135 176.8304 47 G 3.8478 8.3640 103.6165 47.5870 0.0000 174.2670 48 K 4.5392 7.6736 119.1937 53.9705 35.3054 175.1898 49 Q 4.5528 8.6405 125.0761 56.0108 29.4063 175.3512 50 L 4.2768 8.4993 123.8723 53.3731 43.5617 175.8598 51 E 4.5354 9.0908 122.7497 54.9980 31.1239 176.9616 52 D 4.4364 9.1871 124.0198 57.6864 41.1448 179.4572 53 G 3.7007 7.9944 106.1757 47.7041 0.0000 174.2919 54 R 4.1108 8.0880 119.1680 56.0058 31.0580 176.0060 55 T 4.9216 7.9699 110.3692 59.9702 70.9437 176.0265 56 L 4.1590 8.3168 121.6399 57.7505 41.9954 180.2640 57 S 4.1598 8.3992 113.7768 61.2316 63.1402 176.1079 58 D 4.2726 7.6375 119.7696 56.8554 40.5321 176.8908 59 Y 4.6863 7.2676 113.0205 56.9152 38.0816 175.0569 60 N 4.1290 8.2453 116.4077 54.1872 36.7643 175.1180 61 I 3.6280 8.0211 119.7285 60.9640 36.8814 176.4240 62 Q 4.4502 8.1596 125.9288 53.4570 30.4539 175.5244 63 K 3.9819 8.2511 118.0200 58.8525 32.5792 176.8440 64 E 3.7780 9.2296 120.2550 56.8290 27.7934 174.9098 65 S 4.5253 7.8702 115.7772 59.0423 64.2851 173.3717 66 T 5.1585 8.6442 119.3533 62.1383 69.9200 174.1604 67 L 4.6470 9.4543 127.7172 54.2278 44.1362 175.4785 68 H 5.3495 9.2655 119.2556 54.1708 30.9554 173.3202 69 L 4.8902 9.0285 126.8252 53.9310 43.0856 175.8882 70 V 4.5247 8.8199 125.9339 60.4267 35.0241 174.2895 71 L 4.0980 8.7335 128.4767 56.1833 42.5165 176.8083 72 R 4.5237 8.8277 126.1162 53.9498 30.9689 173.7228 73 L 4.1201 8.3806 126.5834 54.9609 42.5191 178.3696 *74 R 4.1791 8.5153 120.4521 56.4649 29.4636 173.6537 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 0 H 8.43 5.08 0.00 3.01 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 9.36 4.81 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 2 Q 8.26 5.09 0.00 1.99 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 2.42 1.80 0.00 3 I 8.44 4.67 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.81 0.79 0.00 0.00 4 F 8.93 5.34 0.00 3.04 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 5 V 9.00 4.68 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.93 0.00 0.00 6 K 9.57 5.04 0.00 1.81 1.63 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.36 7.81 7 T 8.18 5.08 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 8 L 8.62 4.00 0.00 1.66 1.78 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.34 4.16 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 1.22 0.00 0.00 10 G 8.32 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 3.93 0.00 1.80 1.73 0.00 1.47 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.48 7.81 12 T 8.40 5.30 4.27 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 1.38 0.00 0.00 13 I 8.68 4.83 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.31 0.99 0.00 0.00 14 T 8.48 4.98 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 1.31 0.00 0.00 15 L 8.43 4.72 0.00 1.51 1.48 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.71 4.90 0.00 1.80 1.86 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 2.19 2.21 0.00 17 V 9.29 4.75 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 0.75 0.00 0.00 0.91 0.00 0.00 18 E 9.05 4.90 0.00 1.81 1.72 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 1.86 2.05 0.00 19 P 0.00 4.21 0.00 2.14 2.08 0.00 3.52 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 20 S 7.83 4.32 0.00 3.95 3.95 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 21 D 7.93 4.38 0.00 2.87 2.63 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 22 T 8.25 4.72 4.43 0.00 0.00 0.00 0.00 0.00 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 23 I 8.61 3.77 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.18 0.93 0.00 0.00 24 E 8.13 3.95 0.00 2.22 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 2.31 2.40 0.00 25 N 8.19 4.29 0.00 3.07 2.86 0.00 0.00 6.66 7.30 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 26 V 7.65 3.58 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 1.09 0.00 0.00 0.96 0.00 0.00 27 K 8.32 4.16 0.00 2.05 1.86 0.00 1.83 0.00 0.00 1.93 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.53 7.81 28 A 8.11 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.09 3.96 0.00 1.98 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.68 7.81 30 I 8.20 3.76 2.12 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.92 0.00 0.00 31 Q 8.27 4.09 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 32 D 8.01 4.35 0.00 2.85 2.73 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 33 K 7.63 4.31 0.00 1.69 1.86 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.60 7.81 34 E 8.39 4.52 0.00 1.97 1.94 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 2.23 2.36 0.00 35 G 8.65 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 0.00 0.00 0.00 36 I 7.59 4.41 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.90 0.92 0.00 0.00 37 P 0.00 4.33 0.00 2.39 1.99 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 38 P 0.00 4.31 0.00 2.18 2.17 0.00 3.60 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.08 4.41 0.00 2.79 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 40 Q 8.02 4.68 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 41 Q 7.90 4.94 0.00 2.18 1.98 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 2.27 2.45 0.00 42 R 9.01 4.78 0.00 1.83 1.84 0.00 3.07 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 43 L 8.49 5.16 0.00 1.61 1.54 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 I 9.08 4.98 1.92 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 1.11 0.68 0.94 0.00 0.00 45 F 9.11 5.11 0.00 2.93 2.74 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 46 A 8.98 3.56 0.75 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 47 G 8.36 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 0.00 0.00 0.00 48 K 7.67 4.54 0.00 1.75 1.75 0.00 1.64 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.41 7.81 49 Q 8.64 4.55 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.53 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 50 L 8.50 4.28 0.00 1.41 1.37 0.78 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.09 4.54 0.00 2.08 1.93 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 0.00 2.34 2.42 0.00 52 D 9.19 4.44 0.00 2.72 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 53 G 7.99 3.70 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 0.00 0.00 0.00 54 R 8.09 4.11 0.00 2.02 1.54 0.00 3.21 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 55 T 7.97 4.92 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 1.25 0.00 0.00 56 L 8.32 4.16 0.00 1.86 1.70 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.40 4.16 0.00 3.97 4.15 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 0.00 0.00 0.00 58 D 7.64 4.27 0.00 2.59 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 0.00 0.00 0.00 59 Y 7.27 4.69 0.00 3.08 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 60 N 8.25 4.13 0.00 2.93 2.96 0.00 0.00 6.93 7.13 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 61 I 8.02 3.63 1.80 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.11 0.58 0.00 0.00 62 Q 8.16 4.45 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 63 K 8.25 3.98 0.00 1.83 1.81 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.49 7.81 64 E 9.23 3.78 0.00 2.22 2.42 0.00 0.00 0.00 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 2.49 0.00 65 S 7.87 4.53 0.00 3.73 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 66 T 8.64 5.16 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 1.19 0.00 0.00 67 L 9.45 4.65 0.00 1.57 1.59 0.85 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.27 5.35 0.00 3.23 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.03 4.89 0.00 1.60 1.59 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.82 4.52 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 0.98 0.00 0.00 0.94 0.00 0.00 71 L 8.73 4.10 0.00 1.68 1.58 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.83 4.52 0.00 1.89 1.85 0.00 3.26 0.00 0.00 3.45 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 73 L 8.38 4.12 0.00 1.68 1.60 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 *74 R 8.52 4.18 0.00 1.83 1.69 0.00 3.30 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 1.53 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.