NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3180 8.3044 120.3601 55.3523 33.3944 174.0685 2 Q 4.3349 8.2033 124.0679 54.3358 30.2789 173.1779 3 Y 4.6525 8.8486 122.3380 55.9255 41.6282 174.2979 4 K 4.7067 8.7683 125.2542 54.3537 34.7604 175.0349 5 V 4.3922 8.3835 124.5197 60.9408 33.9774 174.3651 6 I 4.3794 8.2269 127.2033 59.3064 39.1206 174.8007 7 L 4.4038 8.0684 124.5628 53.8099 44.1028 174.8438 8 N 3.7478 8.7134 118.8684 54.1624 36.5778 174.2073 *19 E 4.0666 8.4812 122.9590 56.2614 31.5009 177.0255 20 A 4.4420 7.8788 119.9661 50.7860 17.9419 177.9856 21 V 4.0019 7.1262 121.1674 61.1482 33.5326 175.2441 22 D 4.5278 8.5537 125.9498 53.4425 42.1027 176.6669 23 A 3.9408 8.6349 129.1243 55.3707 18.5247 178.9967 24 A 3.9434 7.9775 118.6914 55.6493 18.4617 179.8621 25 T 3.8533 8.3720 114.3393 66.5520 68.4575 176.7306 26 F 4.0643 8.1064 122.1361 61.2379 39.3646 176.9315 27 E 3.6271 8.2334 118.1402 59.1911 29.2506 179.0335 28 K 3.9061 8.1155 119.5247 59.7919 32.2355 178.7589 29 V 3.5816 8.1800 118.6028 66.0083 31.4011 178.2090 30 V 3.5503 7.8046 117.9802 65.7839 31.3436 177.7976 31 K 4.0195 8.6519 119.8675 59.5853 31.9342 178.2503 32 Q 3.9673 8.2935 119.7503 59.4097 28.7682 178.0122 33 F 4.0367 8.0828 119.9841 61.5175 39.4735 176.9181 34 F 3.9900 8.1146 117.0637 60.6178 38.8078 177.4105 35 N 4.4524 8.5539 116.4360 56.4483 38.1317 176.7227 36 D 4.5501 8.1984 118.4476 55.6815 40.9388 176.6040 37 N 4.6141 7.8997 116.1193 52.6145 39.1827 175.3424 38 G 3.8056 8.1788 106.1284 45.3918 0.0000 173.4842 39 V 4.1964 7.5384 118.8978 60.7489 32.8796 174.2328 40 D 4.7648 8.2888 126.8190 52.7616 42.6031 175.1517 41 G 3.8665 7.7499 112.7215 45.4549 0.0000 171.7875 42 E 4.5410 8.0289 117.1825 54.1737 33.3711 175.7912 43 W 4.4982 8.7042 121.6220 56.1246 29.0563 176.1212 44 T 4.7086 8.2355 113.7986 59.7799 70.3740 174.0344 45 Y 4.2052 8.5188 121.4257 57.9839 38.6392 175.6138 46 D 4.7790 8.5642 124.0636 53.5349 42.0947 176.0288 47 D 4.5696 8.3869 120.4017 53.7098 41.5764 176.5892 48 A 4.2099 8.4311 124.6252 52.8705 18.9608 177.2300 49 T 4.8044 8.1398 109.4331 59.7833 72.0703 173.4022 50 K 4.7633 8.4481 120.8870 55.0014 35.6405 175.8940 51 T 4.6424 8.1147 116.7784 61.6592 72.1465 173.7057 52 F 4.3653 8.7890 126.8610 57.5296 39.3166 175.0931 53 T 4.2432 7.6573 125.7181 61.7444 69.1968 175.0950 54 V 3.5794 8.0567 126.9849 62.8559 32.1336 176.3990 55 T 4.0339 8.2158 124.0104 63.3676 67.0383 174.5651 56 E 4.0978 8.4593 124.4495 56.6723 29.4432 174.7460 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 4.32 0.00 1.87 1.98 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 2.28 1.97 0.00 2 Q 8.20 4.33 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 3 Y 8.85 4.65 0.00 3.04 2.92 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 0.00 0.00 0.00 4 K 8.77 4.71 0.00 1.72 1.69 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.42 7.81 5 V 8.38 4.39 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 1.08 0.00 0.00 6 I 8.23 4.38 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.74 0.86 0.00 0.00 7 L 8.07 4.40 0.00 1.37 1.37 0.35 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.71 3.75 0.00 2.75 2.77 0.00 0.00 7.08 7.66 0.00 0.00 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 E 8.48 4.07 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 2.18 2.29 0.00 20 A 7.88 4.44 1.23 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 0.00 0.00 21 V 7.13 4.00 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 0.79 0.00 0.00 0.91 0.00 0.00 22 D 8.55 4.53 0.00 2.75 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.63 3.94 1.25 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 0.00 0.00 24 A 7.98 3.94 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 25 T 8.37 3.85 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 1.24 0.00 0.00 26 F 8.11 4.06 0.00 3.12 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.23 3.63 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.19 0.00 28 K 8.12 3.91 0.00 1.97 2.04 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.50 7.81 29 V 8.18 3.58 2.03 0.00 0.00 0.00 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 1.01 0.00 0.00 30 V 7.80 3.55 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 1.36 0.00 0.00 0.26 0.00 0.00 31 K 8.65 4.02 0.00 2.08 2.07 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.48 1.44 7.81 32 Q 8.29 3.97 0.00 2.41 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.51 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 33 F 8.08 4.04 0.00 2.87 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 34 F 8.11 3.99 0.00 3.31 3.15 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 35 N 8.55 4.45 0.00 2.88 2.86 0.00 0.00 7.10 8.07 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 36 D 8.20 4.55 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.90 4.61 0.00 2.37 2.58 0.00 0.00 7.05 7.26 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 38 G 8.18 3.81 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 0.00 0.00 0.00 39 V 7.54 4.20 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 0.70 0.00 0.00 0.98 0.00 0.00 40 D 8.29 4.76 0.00 2.61 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.75 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 42 E 8.03 4.54 0.00 1.86 1.81 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 2.15 2.25 0.00 43 W 8.70 4.50 0.00 3.25 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.71 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 45 Y 8.52 4.21 0.00 3.02 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 46 D 8.56 4.78 0.00 2.75 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.39 4.57 0.00 2.70 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 48 A 8.43 4.21 1.26 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 0.00 0.00 49 T 8.14 4.80 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 1.29 0.00 0.00 50 K 8.45 4.76 0.00 1.75 1.74 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.43 7.81 51 T 8.11 4.64 4.25 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 1.25 0.00 0.00 52 F 8.79 4.37 0.00 2.98 3.02 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 0.00 0.00 0.00 53 T 7.66 4.24 4.04 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 54 V 8.06 3.58 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 0.81 0.00 0.00 1.02 0.00 0.00 55 T 8.22 4.03 4.21 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 1.19 0.00 0.00 56 E 8.46 4.10 0.00 2.11 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 2.19 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.