NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3393 8.3049 120.3284 54.8582 33.2848 174.3591 2 K 3.9564 8.2671 121.6982 55.8332 30.7772 175.0426 3 R 4.3422 8.3399 123.3665 55.1711 32.2218 176.8769 4 T 3.8819 8.5801 113.5369 64.7163 67.3235 173.8353 5 W 4.6175 8.1124 131.4576 56.3566 30.8024 175.6172 6 Q 4.1392 7.4868 125.4607 51.9948 28.8042 171.9946 7 P 3.3872 0.0000 0.0000 63.0998 31.6767 176.7619 8 N 4.6848 8.2020 119.7661 50.8609 41.6429 174.5632 9 R 3.9571 8.6678 127.8242 59.5639 30.2389 178.8891 10 R 3.8935 7.9277 117.7176 59.2454 30.1384 178.1560 11 K 3.8639 7.9860 118.9535 59.5584 32.2220 178.5145 12 R 3.9973 8.2209 118.7319 59.2922 30.0481 178.4092 13 A 4.0259 8.1130 120.5134 55.3191 18.3000 179.9100 14 K 4.0433 8.1837 115.4204 59.2010 32.0541 179.1797 15 T 4.2146 7.7130 115.5075 65.4759 68.9427 175.4238 16 H 4.7972 7.9188 115.0281 55.3725 29.1568 175.4626 17 G 3.9386 7.8141 110.4538 45.3010 0.0000 175.2183 18 F 4.1813 8.9017 120.1198 61.3803 39.5232 177.1258 19 R 3.7024 8.1760 116.9578 59.1447 28.4110 178.4997 20 A 3.9432 7.9992 119.8225 55.5691 18.4002 179.8062 21 R 4.0857 8.1023 116.1680 59.4720 29.7768 179.3149 22 M 3.8834 7.3893 118.0441 57.9649 32.0224 178.3993 23 R 4.0095 7.4737 117.0797 58.5177 30.8456 177.0916 24 T 4.1609 6.9646 113.4376 60.5773 68.3477 173.5535 25 P 4.3161 0.0000 0.0000 66.0100 31.1049 178.9795 26 G 3.6751 8.0270 105.3858 47.5502 0.0000 176.0234 27 G 4.1148 7.7820 109.1390 47.3035 0.0000 175.7187 28 R 3.8944 8.1676 120.9324 58.9168 30.0313 179.1037 29 K 3.9794 7.8994 118.9787 59.2513 32.0788 178.8551 30 V 3.5468 7.6062 118.3312 66.2127 31.5014 177.7071 31 L 4.0025 8.0993 118.5206 58.0197 41.5025 179.4893 32 K 3.9262 8.0992 119.1574 59.5761 32.2642 178.7875 33 R 3.9511 8.6073 118.3802 59.4706 30.1024 179.2687 34 R 3.8850 8.2886 117.7411 59.3870 29.9327 178.8335 35 R 3.9260 7.8015 116.9805 59.8768 30.0882 177.9739 36 Q 4.1122 8.1147 117.5579 58.3347 29.1113 177.2386 37 K 4.2450 7.6548 119.9180 57.6006 32.4108 177.1307 38 G 4.2432 8.2436 105.9460 45.0818 0.0000 173.9629 39 R 4.0459 8.0512 117.9068 56.5556 30.5134 176.8499 40 W 4.5043 8.8089 120.7195 58.4048 29.5770 176.5824 41 R 4.6264 7.8476 116.5998 54.1309 31.1217 175.4750 42 L 4.2339 8.7170 124.2001 57.0321 42.0449 177.6629 43 T 4.7035 7.4795 112.4517 60.4199 71.8891 171.4809 44 P 4.1345 0.0000 0.0000 62.6932 31.2077 176.4242 45 A 4.1241 8.4746 127.3185 52.0919 18.7235 176.8680 46 V 4.4363 8.1997 122.3343 61.6593 34.6608 173.3684 47 R 4.6613 8.4932 123.3325 54.4789 31.5028 175.3778 48 K 4.6001 8.1886 120.7698 55.2788 35.6414 177.2300 *49 R 4.1415 8.4439 117.0263 57.0859 30.0213 171.0883 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 8.30 4.34 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 2 K 8.27 3.96 0.00 1.83 1.81 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.52 7.81 3 R 8.34 4.34 0.00 1.86 1.94 0.00 3.41 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.60 0.00 4 T 8.58 3.88 4.30 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 0.00 0.00 0.00 1.28 0.00 0.00 5 W 8.11 4.62 0.00 3.40 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 6 Q 7.49 4.14 0.00 1.77 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 7 P 0.00 3.39 0.00 2.21 2.37 0.00 3.46 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.05 0.00 8 N 8.20 4.68 0.00 2.60 2.53 0.00 0.00 7.20 7.65 0.00 0.00 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 R 8.67 3.96 0.00 1.91 2.00 0.00 3.20 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 10 R 7.93 3.89 0.00 1.87 1.91 0.00 3.18 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 11 K 7.99 3.86 0.00 1.94 1.90 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.54 7.81 12 R 8.22 4.00 0.00 2.18 2.17 0.00 3.55 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 13 A 8.11 4.03 1.42 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 0.00 0.00 0.00 0.00 0.00 14 K 8.18 4.04 0.00 1.81 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.62 7.81 15 T 7.71 4.21 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 0.93 0.00 0.00 16 H 7.92 4.80 0.00 3.21 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.81 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 18 F 8.90 4.18 0.00 3.14 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 R 8.18 3.70 0.00 1.91 1.96 0.00 3.27 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 20 A 8.00 3.94 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 21 R 8.10 4.09 0.00 1.94 1.93 0.00 3.30 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 22 M 7.39 3.88 0.00 1.78 1.96 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 23 R 7.47 4.01 0.00 1.77 1.97 0.00 3.13 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 24 T 6.96 4.16 4.22 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 0.00 0.00 0.00 1.27 0.00 0.00 25 P 0.00 4.32 0.00 2.29 2.30 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 26 G 8.03 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.78 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.17 3.89 0.00 1.99 1.98 0.00 3.10 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.84 0.00 29 K 7.90 3.98 0.00 1.96 2.00 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 30 V 7.61 3.55 2.30 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 1.10 0.00 0.00 0.99 0.00 0.00 31 L 8.10 4.00 0.00 1.87 1.82 0.78 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.10 3.93 0.00 1.91 2.02 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 33 R 8.61 3.95 0.00 1.99 1.99 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 34 R 8.29 3.88 0.00 1.88 2.02 0.00 3.31 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 35 R 7.80 3.93 0.00 2.15 2.12 0.00 3.29 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 36 Q 8.11 4.11 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 37 K 7.65 4.24 0.00 1.84 1.98 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.45 7.81 38 G 8.24 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 0.00 0.00 0.00 0.00 39 R 8.05 4.05 0.00 1.88 2.09 0.00 3.36 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 40 W 8.81 4.50 0.00 3.21 3.23 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 0.00 41 R 7.85 4.63 0.00 1.83 1.89 0.00 3.25 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 42 L 8.72 4.23 0.00 1.72 1.84 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.48 4.70 4.35 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 1.39 0.00 0.00 44 P 0.00 4.13 0.00 2.11 2.07 0.00 3.95 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 45 A 8.47 4.12 1.28 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 0.00 0.00 46 V 8.20 4.44 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 0.87 0.00 0.00 1.01 0.00 0.00 47 R 8.49 4.66 0.00 1.94 1.91 0.00 3.10 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 48 K 8.19 4.60 0.00 1.73 1.78 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.24 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.35 7.81 *49 R 8.44 4.14 0.00 1.57 1.74 0.00 3.23 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 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.