NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4464 8.4045 118.7933 52.6276 31.6465 176.1012 2 K 4.2541 8.1736 124.7772 55.9954 35.9376 174.5267 3 E 3.6453 8.2391 117.7056 56.4618 30.2936 174.1521 4 G 4.0957 8.6202 109.2744 48.7822 0.0000 176.0426 5 I 4.0040 7.8990 121.1881 62.9266 36.4362 180.3114 *6 H 4.6243 7.1046 117.5926 54.3829 27.0534 174.3141 7 P 5.1432 0.0000 0.0000 63.7579 36.9049 171.5937 8 K 4.2980 7.4401 119.0652 56.5798 37.4776 174.1844 9 L 4.3638 8.1282 120.9410 53.6564 49.8100 174.4238 10 V 3.6138 8.9282 119.0950 61.6108 30.9492 173.9424 11 P 5.0392 0.0000 0.0000 61.7249 33.8797 178.2489 12 A 4.6373 8.3377 123.0697 54.0352 19.5159 179.4577 13 R 4.4817 9.4036 120.8725 58.9951 29.7132 180.7626 14 I 3.8895 9.2492 111.3348 62.1591 36.0423 180.1975 15 I 4.2148 7.7602 122.1653 62.1611 33.8111 179.5621 16 C 3.2327 7.8259 113.0632 58.7268 41.1404 177.9038 17 G 3.8538 8.6448 111.8479 46.5222 0.0000 176.4864 18 C 4.5602 7.7792 114.9800 54.7948 40.6139 176.7871 19 G 3.8449 7.9714 115.4649 46.7416 0.0000 173.8783 20 N 4.4872 8.2172 122.8388 54.9344 38.1161 178.0118 21 V 3.8398 7.8004 115.6159 63.8672 31.9021 183.1992 22 I 3.8676 7.6696 118.8404 63.9419 35.5177 182.4800 23 E 5.2339 7.9225 126.1713 55.8497 33.1899 180.8443 24 T 4.7088 7.5099 119.5938 61.4906 72.3019 173.0141 *25 Y 4.7570 7.9567 129.2202 56.7064 35.6233 174.9362 26 S 4.7938 8.6623 114.1785 60.2285 63.7866 174.7559 27 T 3.8218 8.3801 118.8860 63.5687 66.7585 179.8744 28 K 4.3777 9.1817 124.7997 54.4260 34.1816 176.9429 29 P 4.2056 0.0000 0.0000 64.6870 27.8223 173.8222 30 E 3.9766 8.4356 117.7195 59.0947 29.7800 180.3646 31 I 3.6039 8.2310 116.5646 62.3890 34.8345 180.1639 *32 Y 4.6800 7.4845 125.2070 58.5311 37.3788 181.4668 33 V 4.6981 8.5628 117.7404 61.1789 35.1307 175.3246 34 E 4.8012 8.0152 120.5936 55.8492 30.0368 180.3486 35 V 3.7314 8.9961 117.9092 64.8639 33.1652 177.0243 36 C 4.4421 8.3372 119.8189 54.8123 42.5240 174.5285 37 S 4.4031 8.7438 128.2678 60.4289 66.6793 180.1579 38 K 4.6343 9.4272 122.1335 54.6293 34.6256 178.8685 39 C 4.3602 8.8701 115.2822 58.5853 40.5274 169.6979 *40 H 4.0994 8.2552 128.2421 53.7122 26.5180 174.4925 41 P 4.7375 0.0000 0.0000 61.3736 32.2268 172.2511 *42 F 4.2672 9.1207 128.2684 57.5666 36.5722 175.6870 *43 Y 4.1929 7.9480 119.8089 59.2891 36.7426 178.8074 44 T 4.4648 7.3682 108.9144 58.8305 68.7739 177.3735 45 G 3.9763 8.3707 116.3705 44.3296 0.0000 170.8374 46 Q 4.4224 8.5687 125.4142 54.6738 28.1150 174.8783 47 Q 4.1027 7.5483 118.0164 59.2299 29.4667 184.8186 48 R 4.6373 7.2444 123.2550 55.6790 30.7741 178.8217 *49 F 4.5704 8.4843 119.4770 58.0322 41.7510 173.8984 *50 V 3.9936 8.1708 114.5224 62.5804 32.1236 173.2761 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 1 M 8.40 4.45 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 K 8.17 4.25 0.00 1.76 1.69 0.00 1.86 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.19 1.07 7.81 3 E 8.24 3.65 0.00 1.96 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 2.25 1.86 0.00 4 G 8.62 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.90 4.00 1.87 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 1.16 0.76 0.91 0.00 0.00 *6 H 7.10 4.62 0.00 2.97 2.91 0.00 7.16 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 5.14 0.00 2.02 1.89 0.00 3.81 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 1.84 1.58 0.00 8 K 7.44 4.30 0.00 1.77 1.65 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.11 0.77 7.81 9 L 8.13 4.36 0.00 1.51 1.39 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.93 3.61 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 0.82 0.00 0.00 0.93 0.00 0.00 11 P 0.00 5.04 0.00 1.92 1.97 0.00 3.70 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 1.55 0.00 12 A 8.34 4.64 1.33 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 0.00 0.00 13 R 9.40 4.48 0.00 1.64 1.39 0.00 3.27 0.00 0.00 3.20 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 14 I 9.25 3.89 1.87 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 1.27 1.10 0.91 0.00 0.00 15 I 7.76 4.21 1.87 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 1.16 1.10 0.91 0.00 0.00 16 C 7.83 3.23 0.00 2.73 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.64 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 18 C 7.78 4.56 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 19 G 7.97 3.84 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 0.00 0.00 0.00 20 N 8.22 4.49 0.00 2.66 2.83 0.00 0.00 6.88 7.67 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 21 V 7.80 3.84 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 0.86 0.00 0.00 0.93 0.00 0.00 22 I 7.67 3.87 1.87 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 1.16 1.10 0.91 0.00 0.00 23 E 7.92 5.23 0.00 1.96 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 2.01 1.91 0.00 24 T 7.51 4.71 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 *25 Y 7.96 4.76 0.00 2.32 1.43 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 0.00 26 S 8.66 4.79 0.00 3.62 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 27 T 8.38 3.82 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 28 K 9.18 4.38 0.00 1.77 1.65 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 0.99 7.81 29 P 0.00 4.21 0.00 2.11 2.08 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.56 0.00 30 E 8.44 3.98 0.00 1.98 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 2.24 1.90 0.00 31 I 8.23 3.60 1.87 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 1.16 0.95 0.91 0.00 0.00 *32 Y 7.48 4.68 0.00 2.28 1.43 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 0.00 33 V 8.56 4.70 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 0.90 0.00 0.00 0.93 0.00 0.00 34 E 8.02 4.80 0.00 1.92 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 2.11 1.83 0.00 35 V 9.00 3.73 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 0.86 0.00 0.00 0.93 0.00 0.00 36 C 8.34 4.44 0.00 2.80 2.29 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.74 4.40 0.00 3.56 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 38 K 9.43 4.63 0.00 1.74 1.61 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 0.97 7.81 39 C 8.87 4.36 0.00 2.72 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 H 8.26 4.10 0.00 3.10 3.03 0.00 7.16 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.74 0.00 2.08 1.85 0.00 3.79 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 1.88 1.57 0.00 *42 F 9.12 4.27 0.00 2.38 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.95 4.19 0.00 2.32 2.25 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 44 T 7.37 4.46 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 G 8.37 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 46 Q 8.57 4.42 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.01 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00 47 Q 7.55 4.10 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.75 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 48 R 7.24 4.64 0.00 1.75 1.13 0.00 3.26 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 *49 F 8.48 4.57 0.00 2.24 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 0.00 0.00 0.00 0.00 *50 V 8.17 3.99 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 0.82 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.