NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 H 4.7257 8.3033 117.8473 55.7485 30.3939 172.9323 -3 T 3.6996 8.5906 115.4881 66.4754 67.8997 174.7850 -2 L 4.0637 8.0216 122.1361 58.0623 42.7925 178.1124 -1 K 3.8378 8.1739 119.1152 60.1551 31.8541 178.5731 0 T 3.9119 8.1157 115.5124 66.4577 68.4479 176.4436 1 A 4.0688 8.7622 123.8686 55.5467 18.3978 179.5396 2 N 4.3858 8.5453 115.0867 56.3904 38.6062 177.9141 3 S 4.1341 8.2212 116.6511 61.6500 62.9553 175.8348 4 Y 4.1044 7.7909 122.2981 61.3009 38.5352 178.4481 5 T 3.7868 7.8354 115.8176 66.8133 68.5660 176.3479 6 D 4.3336 8.1871 120.6976 57.3006 40.7895 179.0798 7 V 3.5569 7.7091 118.7754 66.0742 31.5549 178.3251 8 T 3.6210 8.0827 115.7708 66.5416 68.2933 176.8320 9 V 3.5335 8.0482 120.4349 66.0166 31.0944 177.9063 10 S 4.0578 8.0619 112.7610 61.6367 62.2445 176.0031 11 N 4.3748 7.9814 118.6321 56.0424 38.1558 177.4439 12 S 4.0778 8.0541 114.9232 61.5285 62.4304 176.3385 13 T 3.8584 7.9474 118.5016 66.5667 68.1217 176.8405 14 K 3.9593 7.7321 119.8976 59.1555 32.0367 179.2472 15 K 3.8529 8.1976 119.7167 59.6064 32.1624 178.7467 16 A 3.9984 8.2858 121.3654 55.0226 18.1662 179.7538 17 I 3.6144 7.8904 118.3785 64.4433 37.2483 178.2760 18 R 3.8750 8.0877 119.7126 59.9486 29.8846 178.4054 19 E 4.0866 8.2076 117.8803 59.1439 29.4170 179.5575 20 S 4.1500 8.1908 115.5046 61.7485 62.8424 176.4751 21 N 4.3826 8.5001 119.4649 56.2403 38.3620 177.3983 22 Q 3.8916 8.1265 119.6005 59.2519 28.9341 178.5114 23 Y 3.9524 8.0227 120.3703 60.8940 38.8553 178.1297 24 T 3.9060 7.9523 116.7888 66.7261 68.4737 176.4944 25 D 4.3281 8.2748 121.0266 57.5735 40.8429 178.0697 26 H 4.1221 7.8266 116.3703 59.1876 28.7422 177.7334 27 K 4.1183 7.7645 120.6931 58.8846 31.8380 179.3030 28 F 4.2848 8.2265 120.8615 61.6445 39.2221 177.1215 29 H 4.5299 8.5821 117.5553 58.2677 27.8848 177.9137 30 Q 3.9653 7.9501 120.1344 58.7107 28.5897 178.3031 31 L 3.9374 7.8688 121.4324 58.0865 42.0202 178.7037 32 E 3.7701 8.2235 118.9701 59.4720 29.3229 179.1436 33 N 4.2931 7.8619 116.4638 56.3640 38.0655 177.6313 34 R 3.9072 7.7354 118.9979 59.0068 30.0966 178.7884 35 L 4.0415 7.7895 120.0410 57.6810 42.2838 178.2695 36 D 4.3534 8.3237 119.3596 57.4559 40.9307 178.8654 37 K 3.8573 8.0083 118.5020 59.7381 32.1521 179.4051 38 L 3.9672 7.5410 117.7718 57.7166 41.5835 178.9350 39 E 3.9060 8.2271 119.3187 59.4760 29.3418 178.9776 40 K 3.9762 7.9978 119.1746 59.4105 32.3705 178.8390 41 R 3.9043 7.8716 118.8578 59.0247 29.8355 178.6203 42 L 4.0053 7.9332 119.0314 57.6401 41.7935 179.0398 43 L 3.8808 7.9003 118.8965 57.7869 41.5388 179.7699 44 K 3.9370 7.7910 118.2513 59.6741 32.0469 179.3963 45 L 4.0329 7.7937 118.6640 57.8175 41.4683 179.7274 46 L 4.0013 8.7590 119.6872 57.5910 41.5573 179.2986 47 A 4.0929 8.1708 120.9623 54.8523 18.5866 179.8246 48 S 4.1532 8.1761 113.1774 61.3770 63.2373 176.8476 49 S 4.1756 8.0334 117.3764 61.0190 62.5399 176.2978 50 A 4.0001 8.0892 124.1716 54.7895 17.9733 179.5029 51 A 4.0249 8.0460 119.4710 55.2454 18.1938 179.8464 52 L 3.9825 8.0580 117.1779 57.5638 41.4030 179.3493 53 N 4.4653 8.1159 118.4726 56.4357 38.5172 177.5445 54 S 4.4647 7.4442 117.9505 62.3072 62.7874 179.7080 55 L 4.3801 8.1506 123.6565 58.0979 41.4981 177.9047 *56 F 4.3505 7.5750 119.9032 56.6523 38.1525 177.1111 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 -4 H 8.30 4.73 0.00 3.21 3.33 0.00 5.61 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 T 8.59 3.70 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 1.21 0.00 0.00 -2 L 8.02 4.06 0.00 1.76 1.67 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 -1 K 8.17 3.84 0.00 1.89 2.07 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.57 7.81 0 T 8.12 3.91 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 1.22 0.00 0.00 1 A 8.76 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.55 4.39 0.00 2.94 2.89 0.00 0.00 7.06 8.15 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 3 S 8.22 4.13 0.00 4.02 3.96 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 4 Y 7.79 4.10 0.00 3.05 3.22 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 0.00 5 T 7.84 3.79 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 1.21 0.00 0.00 6 D 8.19 4.33 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.71 3.56 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 0.94 0.00 0.00 0.91 0.00 0.00 8 T 8.08 3.62 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 1.06 0.00 0.00 9 V 8.05 3.53 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 0.97 0.00 0.00 0.97 0.00 0.00 10 S 8.06 4.06 0.00 4.13 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.98 4.37 0.00 2.70 2.81 0.00 0.00 6.70 8.67 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 12 S 8.05 4.08 0.00 3.86 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 0.00 13 T 7.95 3.86 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 1.19 0.00 0.00 14 K 7.73 3.96 0.00 1.92 1.84 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.58 7.81 15 K 8.20 3.85 0.00 1.90 1.95 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.43 1.55 7.81 16 A 8.29 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.89 3.61 1.86 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 1.39 0.79 0.90 0.00 0.00 18 R 8.09 3.88 0.00 2.07 1.94 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 19 E 8.21 4.09 0.00 2.08 1.99 0.00 0.00 0.00 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 2.35 0.00 20 S 8.19 4.15 0.00 4.09 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 21 N 8.50 4.38 0.00 2.76 2.84 0.00 0.00 7.06 8.75 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 22 Q 8.13 3.89 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 23 Y 8.02 3.95 0.00 3.21 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 24 T 7.95 3.91 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 25 D 8.27 4.33 0.00 2.57 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 7.83 4.12 0.00 3.17 3.20 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.76 4.12 0.00 1.75 1.82 0.00 1.66 0.00 0.00 1.14 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.24 1.23 7.81 28 F 8.23 4.28 0.00 3.12 3.14 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 0.00 0.00 0.00 0.00 29 H 8.58 4.53 0.00 3.32 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.95 3.97 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 31 L 7.87 3.94 0.00 1.88 1.56 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.22 3.77 0.00 1.76 1.74 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 1.73 1.47 0.00 33 N 7.86 4.29 0.00 2.77 2.82 0.00 0.00 7.02 7.99 0.00 0.00 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 R 7.74 3.91 0.00 1.98 1.95 0.00 3.10 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 35 L 7.79 4.04 0.00 1.95 1.76 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.32 4.35 0.00 2.83 2.68 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 37 K 8.01 3.86 0.00 1.94 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 38 L 7.54 3.97 0.00 1.71 1.70 0.97 0.79 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 39 E 8.23 3.91 0.00 2.02 2.04 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 2.30 2.32 0.00 40 K 8.00 3.98 0.00 2.08 1.88 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.43 7.81 41 R 7.87 3.90 0.00 1.95 2.01 0.00 3.13 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 42 L 7.93 4.01 0.00 1.88 1.68 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.90 3.88 0.00 1.74 1.72 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.79 3.94 0.00 1.89 1.85 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.52 7.81 45 L 7.79 4.03 0.00 1.87 1.72 0.97 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.76 4.00 0.00 1.86 1.71 0.92 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.17 4.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.18 4.15 0.00 4.08 4.13 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 0.00 0.00 0.00 0.00 49 S 8.03 4.18 0.00 4.05 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 50 A 8.09 4.00 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 51 A 8.05 4.02 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 52 L 8.06 3.98 0.00 1.83 1.73 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.12 4.47 0.00 2.98 2.87 0.00 0.00 6.84 7.53 0.00 0.00 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 S 7.44 4.46 0.00 3.75 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 55 L 8.15 4.38 0.00 1.71 1.76 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 *56 F 7.57 4.35 0.00 2.29 2.04 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 * Residues marked with a * may have inaccurate shift predictions.