NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0608 8.0501 120.3947 62.5122 33.4699 175.0016 2 A 4.3786 7.8218 119.4996 53.6179 21.3829 174.8945 3 P 4.3691 0.0000 0.0000 66.3250 32.6334 177.0200 4 T 4.3159 7.8381 111.5773 64.2863 68.6576 176.2263 5 L 4.0411 7.8960 125.4957 58.2048 42.3278 178.6066 6 T 3.9558 8.0130 109.0051 64.9094 68.2780 175.6624 7 A 4.0245 8.0059 122.7907 55.2386 18.6275 179.3510 8 R 3.9362 8.0775 116.2270 59.5270 30.1291 179.1413 9 L 4.1083 8.4827 118.9394 58.1275 41.6465 178.9956 10 Y 4.3666 8.2019 119.1295 60.9549 38.6345 177.7673 11 S 4.0271 8.3014 115.1017 61.8262 63.1948 176.5668 12 L 4.2987 7.6761 118.2946 56.2574 41.7872 177.4453 13 L 4.5376 7.8484 114.6911 54.7485 47.1392 177.4420 14 F 4.8163 7.8328 115.4852 58.6103 40.0562 177.1075 15 R 3.4656 7.7229 120.8987 59.0242 30.0239 176.7011 16 R 4.2749 7.5842 116.7223 55.6645 31.1923 177.9932 17 T 3.9537 8.4843 118.9328 67.2021 68.4259 175.7381 18 S 4.1111 8.4542 116.5039 61.8203 62.5398 176.2327 19 T 3.8023 7.9179 111.8017 65.4599 68.7715 175.8907 20 F 4.0800 8.7252 125.6835 60.1923 39.3540 177.2361 21 A 3.9893 8.3558 119.9845 54.7961 18.3539 179.1572 22 L 3.8593 7.9482 118.9591 58.5270 41.9765 179.2572 23 T 3.7135 8.4353 113.4104 65.1904 67.2885 176.1658 24 I 3.1446 7.1865 114.5230 64.0530 36.8489 178.1676 25 V 3.6139 7.6786 119.9330 65.7199 30.9829 178.1039 26 V 3.9385 8.0628 117.8239 65.2865 31.2967 177.9312 27 G 3.4956 8.8604 105.9386 46.8771 0.0000 175.7335 28 A 4.1443 7.7509 123.2251 54.7169 18.2308 179.1906 29 L 3.8364 7.3925 116.7761 58.4550 42.4550 179.0877 30 F 4.1271 7.7664 117.0142 60.6478 38.9311 177.2333 31 F 4.0983 8.2773 119.9502 61.5509 38.9488 176.6218 32 E 4.0100 9.0622 119.0766 59.7241 29.2699 178.5422 33 R 3.8971 8.1298 118.5721 58.9438 30.2314 177.9179 34 A 3.7525 7.9717 119.8812 55.2842 18.2720 179.3844 35 F 3.7287 7.9437 118.8743 61.3836 39.4880 176.9545 36 D 4.1586 7.8273 117.4835 57.3740 40.9788 178.2478 37 Q 3.9760 8.8911 119.4056 58.9921 28.9629 178.6302 38 G 3.6811 7.9597 106.4176 47.8141 0.0000 175.4770 39 A 3.7268 7.8590 122.9197 55.0672 18.3300 179.1219 40 D 4.3558 7.9451 117.1975 57.8346 40.9825 179.2807 41 A 4.1520 8.0348 120.8135 55.3708 18.4161 179.7812 42 I 3.8259 7.6684 117.7817 64.3748 36.9275 177.8534 43 Y 4.3477 8.0557 119.8806 60.0043 38.8822 176.9266 44 E 4.1629 8.5632 121.0575 59.7373 29.6753 178.2089 45 H 4.1795 8.1492 115.1977 58.8952 28.8445 176.5849 46 I 4.1715 7.0500 116.0655 59.1552 38.0087 174.4917 47 N 4.7008 8.6386 115.7419 52.5282 38.0884 175.2296 48 E 2.0000 9.5155 120.9827 57.0012 26.3654 175.2885 49 G 3.8480 7.6832 108.8163 46.2331 0.0000 175.0239 50 K 4.2708 8.3722 120.0569 56.5677 33.4065 177.4614 51 L 3.8455 7.2109 123.6562 55.4538 39.3068 178.0664 52 W 4.5020 9.7293 123.1794 58.6357 30.0602 179.1384 53 K 4.1740 8.3487 125.5974 59.8167 30.9887 183.8348 *54 H 4.5785 8.3229 118.8467 60.5867 27.8048 182.9943 55 I 4.1229 7.1512 119.3994 65.4514 35.1602 182.2473 56 K 4.1333 8.5887 120.0159 57.4770 31.7440 178.7846 57 H 3.8615 8.6373 123.1262 60.0538 30.0571 176.4416 58 K 4.3741 7.5264 121.0073 54.9728 33.4133 178.5942 59 Y 3.8188 8.6993 114.6077 60.2815 38.8978 170.2381 60 E 4.4934 8.2298 121.4977 56.9869 30.0693 176.5669 61 N 4.5439 7.9969 120.7442 52.6175 37.7473 177.1049 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 V 8.05 4.06 2.09 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 0.98 0.00 0.00 0.94 0.00 0.00 2 A 7.82 4.38 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 3 P 0.00 4.37 0.00 2.19 2.11 0.00 3.60 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 2.12 2.12 0.00 4 T 7.84 4.32 4.26 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 1.23 0.00 0.00 5 L 7.90 4.04 0.00 1.69 1.67 0.97 0.74 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 6 T 8.01 3.96 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 7 A 8.01 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 8 R 8.08 3.94 0.00 2.18 2.06 0.00 3.17 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 1.89 0.00 9 L 8.48 4.11 0.00 2.01 2.30 1.15 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.20 4.37 0.00 3.17 3.21 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 0.00 11 S 8.30 4.03 0.00 3.91 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 12 L 7.68 4.30 0.00 1.68 1.67 0.91 0.94 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 13 L 7.85 4.54 0.00 1.50 1.03 0.71 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.83 4.82 0.00 3.26 3.37 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 15 R 7.72 3.47 0.00 1.19 1.69 0.00 3.07 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.40 0.00 16 R 7.58 4.27 0.00 1.90 1.81 0.00 3.15 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 17 T 8.48 3.95 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 1.22 0.00 0.00 18 S 8.45 4.11 0.00 3.86 3.79 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 19 T 7.92 3.80 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 20 F 8.73 4.08 0.00 3.41 3.33 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 21 A 8.36 3.99 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 3.86 0.00 1.76 1.81 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.44 3.71 4.05 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 0.90 0.00 0.00 24 I 7.19 3.14 1.71 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.53 0.41 0.00 0.00 25 V 7.68 3.61 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.00 0.00 0.00 26 V 8.06 3.94 2.22 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 1.09 0.00 0.00 0.97 0.00 0.00 27 G 8.86 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.75 4.14 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.39 3.84 0.00 1.63 1.73 0.82 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.77 4.13 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.28 4.10 0.00 3.28 3.27 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 0.00 32 E 9.06 4.01 0.00 2.12 2.22 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 2.32 2.37 0.00 33 R 8.13 3.90 0.00 1.88 1.96 0.00 3.13 0.00 0.00 3.13 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 34 A 7.97 3.75 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 35 F 7.94 3.73 0.00 1.88 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 36 D 7.83 4.16 0.00 3.10 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.89 3.98 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 38 G 7.96 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 39 A 7.86 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.95 4.36 0.00 2.82 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 41 A 8.03 4.15 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.67 3.83 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.37 0.95 0.00 0.00 43 Y 8.06 4.35 0.00 2.98 3.28 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 44 E 8.56 4.16 0.00 2.27 2.23 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 2.83 2.81 0.00 45 H 8.15 4.18 0.00 3.31 3.36 0.00 5.90 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.05 4.17 1.86 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 1.47 0.72 0.88 0.00 0.00 47 N 8.64 4.70 0.00 2.48 1.89 0.00 0.00 7.12 7.46 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 48 E 9.52 2.00 0.00 1.45 1.31 0.00 0.00 0.00 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 1.47 0.00 49 G 7.68 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 50 K 8.37 4.27 0.00 1.90 1.90 0.00 1.84 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.59 1.52 7.81 51 L 7.21 3.85 0.00 1.73 1.64 0.94 0.98 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 52 W 9.73 4.50 0.00 3.24 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.35 4.17 0.00 1.76 1.82 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.07 7.81 *54 H 8.32 4.58 0.00 3.00 3.03 0.00 7.17 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.15 4.12 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 1.52 1.10 0.91 0.00 0.00 56 K 8.59 4.13 0.00 1.61 1.55 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.51 7.81 57 H 8.64 3.86 0.00 3.15 3.43 0.00 5.89 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.53 4.37 0.00 1.57 1.73 0.00 1.90 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.24 7.81 59 Y 8.70 3.82 0.00 3.05 3.13 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 60 E 8.23 4.49 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 61 N 8.00 4.54 0.00 2.74 2.58 0.00 0.00 6.78 7.56 0.00 0.00 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.