NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9055 8.3544 109.7369 45.5596 0.0000 172.6297 1 M 4.1497 8.3706 118.7119 53.3880 32.9057 174.4405 2 S 4.6126 8.3704 118.1444 57.1067 67.1128 172.2786 3 Q 4.5172 8.3663 122.0545 54.2678 30.0770 175.4814 4 V 3.9097 8.1888 119.0877 60.3424 32.5298 176.0235 5 K 4.0000 8.4943 125.4049 56.6038 32.6470 176.3081 6 S 4.4672 8.2737 120.3932 57.3822 63.2085 173.7157 7 S 4.5385 8.2512 117.2695 57.7412 63.5561 174.3095 8 Y 3.2795 7.2461 117.4740 58.8671 35.5726 169.8331 9 S 4.3634 7.2212 115.0670 57.1297 62.0193 172.7631 10 Y 5.0877 7.8985 125.1151 56.2896 40.2057 176.6897 11 D 4.7420 8.6255 122.6612 52.6237 39.4664 174.9318 12 A 4.3580 7.2908 122.3830 49.7964 22.3816 174.7425 13 P 4.3008 0.0000 0.0000 63.0843 31.3819 176.8802 14 S 4.6657 8.4836 118.2325 58.0942 64.0575 174.0079 15 D 4.4901 7.8984 121.7133 53.5236 41.0139 175.7858 16 F 3.9780 8.8583 126.0262 58.7572 39.7864 174.1030 17 I 4.1166 6.6802 125.4687 58.7229 40.5445 174.2405 18 N 4.5004 8.2876 125.7191 52.4641 39.0114 174.6968 19 F 4.1310 8.8095 125.8574 60.1884 39.2690 175.6693 20 S 4.4801 8.0651 119.2225 58.2396 62.7572 173.6579 21 S 5.1051 7.6151 121.9513 59.1034 66.2038 171.3203 22 L 4.3450 7.9934 117.3783 56.9353 45.3158 172.1434 *30 N 4.8931 8.9390 110.7630 53.4665 39.8507 171.4383 31 I 4.5487 7.5978 107.7399 60.8889 38.2282 176.1269 32 D 4.9953 8.0646 120.4004 54.4570 40.0100 178.0114 33 S 4.8900 8.0592 117.2131 59.9370 63.0029 175.5038 34 W 4.3766 7.8293 131.6635 61.0106 30.3439 177.7885 35 F 4.1110 7.9608 115.9405 60.6248 38.4341 177.6259 36 E 4.0822 8.2023 117.8151 59.2435 29.1204 179.0984 37 E 3.9317 8.3320 118.5312 59.2116 29.6642 178.9617 38 K 3.7774 7.7595 118.5548 59.0426 32.3946 178.4657 39 A 4.1300 7.7559 120.9187 54.8111 18.1384 178.4770 40 N 4.7382 7.5812 111.3910 52.7709 38.8187 175.3071 41 L 4.0662 7.0776 123.4322 55.1800 42.3017 177.6313 42 E 4.2199 8.6773 118.4901 56.0569 29.8090 172.9833 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 G 8.35 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 1 M 8.37 4.15 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 2 S 8.37 4.61 0.00 3.96 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 3 Q 8.37 4.52 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 4 V 8.19 3.91 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 0.72 0.00 0.00 0.92 0.00 0.00 5 K 8.49 4.00 0.00 1.72 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.57 7.81 6 S 8.27 4.47 0.00 3.61 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 7 S 8.25 4.54 0.00 4.03 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 8 Y 7.25 3.28 0.00 3.00 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 9 S 7.22 4.36 0.00 3.61 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 10 Y 7.90 5.09 0.00 3.01 2.75 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 11 D 8.63 4.74 0.00 2.84 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 12 A 7.29 4.36 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.01 1.97 0.00 3.55 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 14 S 8.48 4.67 0.00 3.84 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.90 4.49 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.86 3.98 0.00 2.95 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 17 I 6.68 4.12 1.50 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.50 0.39 0.00 0.00 18 N 8.29 4.50 0.00 2.77 2.70 0.00 0.00 7.11 7.02 0.00 0.00 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 F 8.81 4.13 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.07 4.48 0.00 4.00 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 S 7.62 5.11 0.00 3.60 3.63 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 L 7.99 4.35 0.00 1.60 1.41 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *30 N 8.94 4.89 0.00 2.76 2.81 0.00 0.00 6.31 7.72 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 31 I 7.60 4.55 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.65 0.91 0.00 0.00 32 D 8.06 5.00 0.00 3.14 3.10 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 33 S 8.06 4.89 0.00 4.13 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 0.00 34 W 7.83 4.38 0.00 3.41 2.87 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 35 F 7.96 4.11 0.00 3.33 3.11 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 36 E 8.20 4.08 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 37 E 8.33 3.93 0.00 1.91 1.91 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 2.33 2.46 0.00 38 K 7.76 3.78 0.00 0.97 1.33 0.00 0.61 0.00 0.00 0.64 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.11 1.05 7.81 39 A 7.76 4.13 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.58 4.74 0.00 2.80 2.83 0.00 0.00 7.09 7.20 0.00 0.00 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 L 7.08 4.07 0.00 1.63 1.56 0.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.68 4.22 0.00 1.98 1.71 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 0.00 2.19 1.86 0.00 * Residues marked with a * may have inaccurate shift predictions.