NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0874 8.0544 120.4156 62.7580 32.4676 174.1025 7 D 4.7952 8.7801 126.9342 52.4872 42.7727 174.9160 8 C 4.9627 9.4002 125.1546 56.9999 36.9243 174.9087 9 S 4.2307 7.9726 118.6138 61.8818 62.4828 175.8332 10 E 4.5287 8.3072 117.2442 56.6601 29.2982 175.5576 11 Y 4.5223 7.7052 117.1198 55.2771 40.6490 173.7322 12 P 5.1715 0.0000 0.0000 62.2582 32.6187 175.4839 13 K 4.5696 9.0208 118.1913 53.6257 34.6602 176.2172 14 P 4.2023 0.0000 0.0000 65.2339 31.4861 175.8333 15 A 4.7062 7.1847 119.7893 51.2435 22.2896 174.4249 16 C 5.2489 8.3229 115.9828 55.2490 45.0050 175.9095 17 T 4.2502 8.1332 119.6261 61.5482 67.7109 174.5237 *19 E 4.0733 8.4601 118.6529 56.1033 30.5680 174.7179 20 Y 4.8212 8.4366 120.9227 56.5798 39.4447 176.1683 21 R 4.5924 8.5809 127.6409 53.7507 32.7011 172.5164 22 P 4.5842 0.0000 0.0000 62.8195 32.9826 175.7430 23 L 5.0146 8.8800 120.8176 53.0844 46.3273 174.5354 24 C 5.0232 8.8397 122.7926 54.8889 46.4450 173.6970 25 G 4.6022 8.9836 114.3665 45.2848 0.0000 174.4055 26 S 4.4460 9.1765 115.3406 59.8688 63.0227 174.6473 27 D 4.6537 8.1014 119.9025 52.9328 39.4227 176.2628 28 N 4.2513 8.2238 114.9423 54.1297 36.9189 173.3511 29 K 4.4478 8.2841 120.4226 55.1817 34.2111 175.5438 30 T 4.6617 8.3111 124.0311 63.4055 69.3202 173.5455 31 Y 4.2983 9.2666 125.7123 56.3801 39.3068 177.3608 32 G 3.7504 9.0849 113.5392 48.7376 0.0000 172.3103 33 N 5.2479 7.6109 116.8424 51.6383 40.9291 175.1083 34 K 3.9900 8.4819 120.6945 59.7554 32.1861 179.0120 35 C 5.0731 8.2484 119.7103 59.2436 40.5167 175.1089 36 N 4.3800 8.8987 118.3962 56.3008 38.2359 177.0141 37 F 3.3873 8.2840 121.8852 61.5366 39.5865 176.6031 38 C 3.7392 8.2853 116.2889 59.7080 40.4127 175.9236 39 N 4.2897 8.0876 118.0309 56.1072 38.0995 177.3432 40 A 3.8746 7.7237 122.3512 54.9085 18.3212 179.8081 41 V 3.1802 7.1157 116.8073 65.8818 31.4065 178.4894 42 V 3.4769 7.3948 117.4745 66.0488 31.2171 177.6616 43 E 3.9412 8.1092 118.0466 58.8714 29.5876 177.9605 44 S 4.3507 8.0366 112.4154 57.5678 63.3305 173.6095 45 N 3.9675 9.0260 120.2348 55.1072 37.4417 174.7896 46 G 3.9070 8.4061 103.0462 45.5753 0.0000 175.2527 47 T 4.1173 7.3734 110.7529 62.9999 69.5100 175.4119 48 L 4.1430 7.8299 124.5780 54.8443 42.7349 175.5000 49 T 4.8694 8.5357 114.5783 59.5787 72.9680 172.2423 50 L 4.2145 8.4746 124.2059 55.0992 42.2301 175.9754 51 S 4.4799 9.0164 122.6346 60.2421 63.0217 173.2940 52 H 4.4328 7.1749 112.1983 54.9030 31.1974 172.6933 53 F 4.3818 8.7626 117.8486 57.8694 39.6383 176.4078 54 G 3.9946 8.5142 109.8177 44.3848 0.0000 173.3483 55 K 4.1971 8.0456 117.3540 56.5054 33.2868 177.8484 56 C 4.5083 8.9526 117.6215 57.5131 41.0292 173.7452 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 6 V 8.05 4.09 2.05 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 1.02 0.00 0.00 1.05 0.00 0.00 7 D 8.78 4.80 0.00 2.75 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 8 C 9.40 4.96 0.00 2.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.97 4.23 0.00 4.17 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 10 E 8.31 4.53 0.00 1.93 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 2.28 2.34 0.00 11 Y 7.71 4.52 0.00 3.15 2.85 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 12 P 0.00 5.17 0.00 2.22 2.11 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 13 K 9.02 4.57 0.00 1.71 1.60 0.00 1.30 0.00 0.00 1.47 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 0.53 7.81 14 P 0.00 4.20 0.00 2.17 2.18 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 15 A 7.18 4.71 1.21 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 0.00 0.00 16 C 8.32 5.25 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 17 T 8.13 4.25 4.28 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 1.24 0.00 0.00 *19 E 8.46 4.07 0.00 2.18 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 0.00 2.22 2.29 0.00 20 Y 8.44 4.82 0.00 2.90 2.98 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 0.00 0.00 0.00 21 R 8.58 4.59 0.00 1.64 1.71 0.00 3.19 0.00 0.00 3.22 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 22 P 0.00 4.58 0.00 1.98 1.77 0.00 3.31 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.67 0.00 23 L 8.88 5.01 0.00 1.40 1.08 0.51 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.84 5.02 0.00 2.87 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.98 4.60 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 0.00 0.00 0.00 26 S 9.18 4.45 0.00 3.98 4.03 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 0.00 0.00 0.00 0.00 27 D 8.10 4.65 0.00 2.84 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.22 4.25 0.00 2.93 2.98 0.00 0.00 6.75 7.07 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 29 K 8.28 4.45 0.00 1.76 1.69 0.00 1.46 0.00 0.00 1.21 0.00 0.00 2.33 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.66 1.15 7.81 30 T 8.31 4.66 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 1.26 0.00 0.00 31 Y 9.27 4.30 0.00 3.08 3.05 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 32 G 9.08 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 33 N 7.61 5.25 0.00 2.99 3.09 0.00 0.00 6.37 7.03 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 34 K 8.48 3.99 0.00 1.89 1.92 0.00 1.80 0.00 0.00 1.86 0.00 0.00 3.18 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.54 1.55 7.81 35 C 8.25 5.07 0.00 3.23 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.90 4.38 0.00 3.20 3.10 0.00 0.00 6.67 8.85 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 37 F 8.28 3.39 0.00 3.01 3.06 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 0.00 0.00 0.00 38 C 8.29 3.74 0.00 1.44 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 39 N 8.09 4.29 0.00 3.00 2.89 0.00 0.00 6.83 6.50 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 40 A 7.72 3.87 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 41 V 7.12 3.18 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 0.86 0.00 0.00 0.01 0.00 0.00 42 V 7.39 3.48 2.24 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 1.02 0.00 0.00 1.03 0.00 0.00 43 E 8.11 3.94 0.00 2.05 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 0.00 2.31 2.31 0.00 44 S 8.04 4.35 0.00 4.05 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 9.03 3.97 0.00 2.80 2.90 0.00 0.00 7.19 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 46 G 8.41 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 0.00 0.00 0.00 47 T 7.37 4.12 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 1.23 0.00 0.00 48 L 7.83 4.14 0.00 1.49 1.38 1.04 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.54 4.87 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 1.21 0.00 0.00 50 L 8.47 4.21 0.00 1.29 1.39 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.02 4.48 0.00 3.84 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 7.17 4.43 0.00 3.21 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.76 4.38 0.00 3.04 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 54 G 8.51 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.05 4.20 0.00 1.93 1.90 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.51 7.81 56 C 8.95 4.51 0.00 2.95 3.06 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.