NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2685 8.1733 122.0336 56.1774 33.9673 173.9711 3 K 4.9356 8.5623 126.5260 52.9968 33.9659 174.2511 4 I 4.8408 8.7991 118.1603 58.3968 41.8990 172.6980 5 P 4.7112 0.0000 0.0000 62.5719 32.4535 176.8027 6 L 3.9636 8.9031 123.2487 58.7176 41.8561 179.6892 7 S 4.1634 8.0617 114.3860 61.5999 62.7865 176.5355 8 K 3.9732 8.0028 121.7908 59.4369 31.9813 177.9448 9 Y 4.0201 8.2293 119.9403 60.9118 38.4799 178.3591 10 L 4.3056 7.9571 119.9291 57.1086 41.7877 178.9758 11 E 4.1022 8.2933 118.0062 58.8608 29.5596 178.3055 12 E 4.5092 8.1726 115.1203 56.3573 31.3562 176.5778 13 H 4.4788 8.1136 113.8207 56.6171 31.2614 173.0981 14 G 3.9703 6.8285 105.4931 43.9340 0.0000 171.1311 15 T 4.6639 8.1495 108.4669 59.1615 73.1251 174.5777 16 Q 4.0347 8.5272 119.8476 59.0909 28.6949 179.0607 17 S 4.0529 8.0639 113.3203 61.4961 62.5945 175.9631 18 A 4.0413 8.1074 123.4469 54.8683 18.0061 179.4124 19 L 3.8583 8.2396 118.6811 58.2067 42.2101 178.8054 20 A 3.9447 8.2055 120.6872 55.3763 18.2094 179.4119 21 A 3.9183 8.0106 118.8235 55.3915 18.2134 179.7489 22 A 3.9990 7.9084 118.2435 55.0499 18.5398 179.5446 23 L 4.1563 8.0667 117.1392 55.6606 41.7513 177.8264 24 G 3.8418 7.8675 106.3394 46.2547 0.0000 173.2476 25 V 4.5260 7.5222 111.0816 58.6011 35.3055 175.5671 26 N 4.5967 8.3055 118.1028 52.9652 39.3700 176.4251 27 Q 3.9854 8.7604 121.9586 59.3689 29.0714 178.6912 28 S 4.2302 8.3100 114.6569 61.6848 62.3161 176.5834 29 A 3.9617 7.8209 123.1727 55.1052 18.2680 179.3285 30 I 3.7985 7.6528 116.5548 64.5461 37.4352 178.3728 31 S 4.3321 8.6048 116.3773 61.4837 62.7739 177.4614 32 Q 4.1811 7.9643 119.8023 56.6582 28.6911 178.1899 *34 V 4.0178 7.7435 119.1685 62.5169 33.1040 177.7530 35 R 3.9152 8.1990 116.7565 58.3081 29.9230 177.2417 36 A 4.4862 7.7824 118.2511 51.0762 19.3573 176.6943 37 G 3.9469 7.8495 104.0203 46.6943 0.0000 174.9401 38 R 4.0497 7.9171 117.2342 55.9588 30.7625 177.2948 39 S 4.5866 8.3686 117.0881 57.5576 63.1916 172.1550 40 I 4.8605 8.0686 124.9697 59.1177 40.2198 173.8802 41 E 4.9363 9.3617 128.2221 54.4205 32.2510 174.3284 42 I 4.6951 8.8050 127.8926 59.9080 39.9012 174.5324 43 T 4.6996 8.9120 124.0122 61.7968 70.3576 173.2227 44 L 4.6763 8.5212 129.8178 53.6123 43.5312 175.5510 45 Y 4.6444 8.7251 124.5054 56.5972 39.7320 176.9324 46 E 4.0233 9.0825 120.6560 59.3768 29.6798 177.9680 47 D 4.5767 8.1309 115.6326 53.4052 39.9273 177.0626 48 G 4.0537 8.1879 109.2938 45.2584 0.0000 174.4331 49 R 4.3218 8.6295 119.2745 56.4614 31.3109 176.1347 50 V 5.1392 8.3639 113.6970 59.6344 35.5266 174.7280 51 E 4.9339 9.1791 120.4328 54.5158 33.2692 174.2541 52 A 5.1934 8.5274 121.4396 50.3555 22.0873 175.3083 53 N 5.0334 9.0798 117.4569 51.4454 43.3446 172.9887 54 E 4.8791 8.7326 122.8722 55.0365 31.2521 175.2848 55 I 4.1978 8.5700 128.7606 60.3306 37.8770 175.8239 56 R 4.4499 8.3798 127.6884 53.2448 30.8135 174.8162 57 P 4.3545 0.0000 0.0000 62.8520 31.7744 175.7871 58 I 4.4936 7.9916 121.0438 58.5800 39.7752 173.8118 59 P 4.4139 0.0000 0.0000 63.0565 31.0618 176.1114 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 2 K 8.17 4.27 0.00 1.83 1.69 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.47 7.81 3 K 8.56 4.94 0.00 1.71 1.66 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.43 7.81 4 I 8.80 4.84 1.92 0.00 0.00 0.93 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 1.15 0.93 0.00 0.00 5 P 0.00 4.71 0.00 2.15 2.22 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 6 L 8.90 3.96 0.00 1.85 1.73 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.06 4.16 0.00 3.93 3.92 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 8 K 8.00 3.97 0.00 1.85 2.00 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.51 7.81 9 Y 8.23 4.02 0.00 3.17 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 10 L 7.96 4.31 0.00 1.87 1.76 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.29 4.10 0.00 2.05 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 2.50 0.00 12 E 8.17 4.51 0.00 1.93 1.72 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 0.00 2.16 2.25 0.00 13 H 8.11 4.48 0.00 2.12 2.73 0.00 5.69 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 14 G 6.83 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.15 4.66 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 1.22 0.00 0.00 16 Q 8.53 4.03 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 17 S 8.06 4.05 0.00 3.90 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 18 A 8.11 4.04 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 19 L 8.24 3.86 0.00 1.97 1.95 0.46 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.21 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 A 8.01 3.92 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 22 A 7.91 4.00 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 23 L 8.07 4.16 0.00 1.76 1.72 0.84 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.87 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.52 4.53 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 0.74 0.00 0.00 0.97 0.00 0.00 26 N 8.31 4.60 0.00 2.75 2.73 0.00 0.00 6.43 7.80 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 27 Q 8.76 3.99 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 28 S 8.31 4.23 0.00 4.08 4.14 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 A 7.82 3.96 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 30 I 7.65 3.80 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.84 0.92 0.00 0.00 31 S 8.60 4.33 0.00 3.96 3.92 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 32 Q 7.96 4.18 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 *34 V 7.74 4.02 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 0.96 0.00 0.00 1.01 0.00 0.00 35 R 8.20 3.92 0.00 1.96 1.98 0.00 3.19 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 36 A 7.78 4.49 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 37 G 7.85 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 0.00 0.00 0.00 38 R 7.92 4.05 0.00 1.81 2.04 0.00 3.20 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 39 S 8.37 4.59 0.00 3.96 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.07 4.86 1.85 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 1.37 1.07 0.91 0.00 0.00 41 E 9.36 4.94 0.00 1.94 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 2.15 2.21 0.00 42 I 8.81 4.70 1.70 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.21 0.55 0.00 0.00 43 T 8.91 4.70 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 0.53 0.00 0.00 44 L 8.52 4.68 0.00 1.53 1.47 0.87 0.91 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 45 Y 8.73 4.64 0.00 3.19 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.08 4.02 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 47 D 8.13 4.58 0.00 2.80 2.79 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 48 G 8.19 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 0.00 0.00 0.00 0.00 49 R 8.63 4.32 0.00 1.97 1.97 0.00 3.03 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 50 V 8.36 5.14 1.96 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 0.73 0.00 0.00 0.91 0.00 0.00 51 E 9.18 4.93 0.00 2.05 2.21 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 2.21 2.25 0.00 52 A 8.53 5.19 1.14 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 0.00 0.00 53 N 9.08 5.03 0.00 2.57 2.64 0.00 0.00 6.50 8.52 0.00 0.00 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 E 8.73 4.88 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.49 0.00 55 I 8.57 4.20 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 1.22 0.68 0.91 0.00 0.00 56 R 8.38 4.45 0.00 1.77 1.87 0.00 3.21 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 1.54 1.58 0.00 57 P 0.00 4.35 0.00 2.17 2.06 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 58 I 7.99 4.49 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 1.60 0.95 0.91 0.00 0.00 59 P 0.00 4.41 0.00 2.17 2.04 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.