NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1492 8.1245 118.5496 59.7271 38.0174 177.0217 3 D 4.5012 8.1594 118.2990 54.9454 40.5027 178.5972 4 T 4.1819 8.1927 112.4590 62.5497 70.2701 177.2459 5 A 4.2834 8.0370 122.3159 55.0421 18.6708 179.2653 6 A 4.1197 7.9934 120.1061 54.9869 18.4678 179.8938 7 K 4.1624 8.1132 119.2600 56.9256 32.8410 184.9045 *8 F 4.0449 8.2198 117.9122 59.5943 38.3398 182.7555 9 I 5.0143 7.1730 116.9710 59.9835 35.3699 180.4387 10 G 3.9973 8.0443 111.5498 47.0807 0.0000 175.1154 11 A 4.1510 7.5813 120.0571 52.5525 19.5695 178.3329 12 G 3.7178 7.6266 103.8355 47.6261 0.0000 175.9756 13 A 4.1574 7.8814 121.2639 53.2745 19.0108 178.2802 14 A 4.3055 7.4972 119.6264 54.0327 19.1772 178.9062 15 T 4.2378 7.6207 109.4077 62.1366 68.9591 182.4956 16 V 4.2851 7.3719 115.9606 61.7890 31.4393 182.4903 17 G 3.9602 7.9584 110.8138 47.8368 0.0000 176.6803 18 V 3.9175 7.3970 118.6024 64.1572 31.6180 182.8578 19 A 4.5250 8.0211 117.7846 54.4314 18.4862 178.3148 20 G 3.9734 7.9494 106.0982 46.5796 0.0000 176.6628 21 S 4.4398 8.0806 120.2176 62.5069 62.5222 179.3015 22 G 3.6788 7.8867 106.8529 47.2037 0.0000 175.8487 23 A 4.3309 7.9156 122.5052 54.5506 18.7988 179.7393 24 G 3.6528 8.4964 106.9500 48.3985 0.0000 176.7542 25 I 3.9834 7.4977 122.2508 64.7212 35.2038 181.9212 26 G 3.9540 7.8773 107.1863 48.2547 0.0000 176.7417 27 T 4.1775 7.7372 119.2816 66.4430 68.7555 182.7642 28 V 3.9596 7.9571 124.9529 66.4591 31.6765 180.9566 *29 F 4.5663 8.2357 120.8891 60.6220 37.8417 179.6459 30 G 3.8808 7.8765 105.3598 49.0149 0.0000 176.7053 31 S 4.4979 8.2032 122.2678 62.6008 62.2278 178.4424 32 L 4.5651 7.9476 124.8313 59.4203 40.7905 184.9348 33 I 4.1187 7.3746 120.6512 65.8362 35.5643 183.1429 34 I 4.3917 8.3470 121.4875 63.9177 35.6287 180.8665 35 G 3.7522 8.0011 108.2212 48.9839 0.0000 176.0444 *36 Y 4.1780 7.7858 122.2505 60.6936 36.6565 179.9199 37 A 4.2593 7.4643 122.0441 56.5834 18.6308 180.3586 38 R 4.0052 7.5786 119.0889 59.1993 29.6171 179.5377 39 N 4.7022 7.5109 116.8718 52.5138 37.3375 177.9591 40 P 4.9324 0.0000 0.0000 63.7283 31.8685 176.2826 41 S 4.5354 7.9789 116.5113 59.3180 60.7042 179.9335 42 L 4.4052 8.2147 128.1485 56.1690 42.5567 179.8914 43 K 5.0125 7.9594 121.5597 53.9948 31.9920 179.1348 44 Q 4.7498 8.4827 122.8622 57.4281 30.5568 174.9174 45 Q 3.9596 8.4884 121.3269 57.0044 27.0421 176.6234 46 L 4.3628 7.6743 119.2792 57.0052 40.2916 181.8267 *47 F 4.3230 7.5896 117.9898 58.7521 38.1104 179.1765 48 S 4.0665 8.0953 116.1225 60.5251 62.6122 180.8794 *49 Y 4.4911 7.7499 120.0302 60.3472 37.4643 182.7118 50 A 4.4894 7.8826 122.0983 55.9221 18.3313 180.0667 51 I 3.9076 7.4273 120.1008 65.4210 35.0148 183.0412 52 L 4.2471 7.9925 121.5667 58.0533 40.8519 181.7523 53 G 4.2686 7.6776 104.9664 48.0263 0.0000 176.1588 *54 F 4.3546 8.1768 120.8037 59.7864 38.2344 179.2123 55 A 4.4302 7.5655 121.8011 55.9406 19.2796 180.1441 56 L 4.1308 7.3730 122.2183 59.9185 40.8931 181.7558 57 S 4.6181 8.0442 120.1426 64.0027 62.4869 180.5867 58 E 4.4131 7.7154 119.2135 58.7110 29.8301 180.2820 59 A 4.4011 8.0214 123.3092 56.1056 17.8984 179.3096 60 M 4.5549 7.6641 117.1231 56.8552 31.5272 181.3135 61 G 4.0925 7.8981 106.5498 46.4012 0.0000 175.3688 62 L 4.6847 7.8019 125.7323 57.9255 41.3336 184.4662 *63 F 4.4246 7.8151 120.8308 62.7278 37.6359 182.2396 64 C 4.7689 7.8004 121.7139 63.3448 27.7152 179.5896 65 L 4.4464 7.9844 125.8825 60.0655 40.0890 182.4692 66 M 4.4761 8.0654 121.5589 60.1764 31.3766 183.6051 67 V 3.9843 7.3354 116.6850 66.0192 30.7693 182.7824 68 A 4.3917 7.9226 121.3685 55.0757 18.1765 179.6638 *69 F 4.2482 8.0446 120.4758 60.8632 38.0908 182.9946 70 L 4.5129 7.3613 121.3626 60.4693 41.1359 184.9924 71 I 4.2085 7.6584 121.6235 64.6971 35.4479 180.7827 72 L 4.5187 7.3483 123.9725 59.6593 41.2428 182.1503 *73 F 4.5831 7.4822 120.0677 56.3734 38.5278 177.2622 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 I 8.12 4.15 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 1.27 1.21 0.91 0.00 0.00 3 D 8.16 4.50 0.00 2.77 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.19 4.18 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 5 A 8.04 4.28 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.99 4.12 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 0.00 0.00 0.00 0.00 0.00 7 K 8.11 4.16 0.00 1.70 1.82 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.00 7.81 *8 F 8.22 4.04 0.00 2.22 2.31 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 9 I 7.17 5.01 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 1.23 1.16 0.91 0.00 0.00 10 G 8.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.58 4.15 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 12 G 7.63 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.88 4.16 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.50 4.31 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 15 T 7.62 4.24 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 16 V 7.37 4.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.93 0.00 0.00 17 G 7.96 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 0.00 0.00 0.00 18 V 7.40 3.92 2.08 0.00 0.00 0.00 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 0.93 0.00 0.00 19 A 8.02 4.53 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.95 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 21 S 8.08 4.44 0.00 3.75 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 22 G 7.89 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 23 A 7.92 4.33 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 24 G 8.50 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.50 3.98 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 1.45 0.70 0.91 0.00 0.00 26 G 7.88 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 27 T 7.74 4.18 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 28 V 7.96 3.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.93 0.00 0.00 *29 F 8.24 4.57 0.00 2.30 2.32 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 0.00 30 G 7.88 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 0.00 0.00 0.00 31 S 8.20 4.50 0.00 3.78 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 32 L 7.95 4.57 0.00 1.68 1.69 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.37 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 1.38 1.10 0.91 0.00 0.00 34 I 8.35 4.39 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 1.45 0.56 0.91 0.00 0.00 35 G 8.00 3.75 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 0.00 0.00 0.00 *36 Y 7.79 4.18 0.00 2.28 2.31 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 37 A 7.46 4.26 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 38 R 7.58 4.01 0.00 2.05 1.87 0.00 3.38 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 39 N 7.51 4.70 0.00 2.86 2.76 0.00 0.00 6.65 7.76 0.00 0.00 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 P 0.00 4.93 0.00 2.03 1.92 0.00 3.71 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 1.81 1.53 0.00 41 S 7.98 4.54 0.00 3.65 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 42 L 8.21 4.41 0.00 1.55 1.67 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.96 5.01 0.00 1.77 1.71 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.34 1.00 7.81 44 Q 8.48 4.75 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.03 0.00 0.00 0.00 0.00 0.00 2.04 1.66 0.00 45 Q 8.49 3.96 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.93 0.00 0.00 0.00 0.00 0.00 2.16 1.91 0.00 46 L 7.67 4.36 0.00 1.67 1.68 0.92 1.14 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 *47 F 7.59 4.32 0.00 2.25 2.31 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 48 S 8.10 4.07 0.00 3.62 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 *49 Y 7.75 4.49 0.00 2.32 2.30 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.49 1.32 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 0.00 0.00 0.00 51 I 7.43 3.91 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 1.38 0.70 0.91 0.00 0.00 52 L 7.99 4.25 0.00 1.65 1.69 0.92 1.06 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 53 G 7.68 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 0.00 0.00 0.00 0.00 *54 F 8.18 4.35 0.00 2.32 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 0.00 0.00 0.00 0.00 55 A 7.57 4.43 1.28 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 0.00 0.00 56 L 7.37 4.13 0.00 1.95 1.60 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.04 4.62 0.00 3.68 3.89 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 0.00 0.00 0.00 58 E 7.72 4.41 0.00 1.80 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 0.00 2.23 2.19 0.00 59 A 8.02 4.40 1.43 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 0.00 0.00 0.00 60 M 7.66 4.55 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 61 G 7.90 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.80 4.68 0.00 1.64 1.65 0.92 1.08 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 *63 F 7.82 4.42 0.00 2.36 2.32 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 0.00 64 C 7.80 4.77 0.00 3.02 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 65 L 7.98 4.45 0.00 1.65 1.70 0.92 0.94 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 66 M 8.07 4.48 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 67 V 7.34 3.98 2.08 0.00 0.00 0.00 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 0.93 0.00 0.00 68 A 7.92 4.39 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 *69 F 8.04 4.25 0.00 2.26 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 0.00 0.00 0.00 0.00 70 L 7.36 4.51 0.00 1.77 1.60 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.66 4.21 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 1.38 1.10 0.91 0.00 0.00 72 L 7.35 4.52 0.00 1.91 1.59 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 *73 F 7.48 4.58 0.00 2.31 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.