NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4489 8.3349 115.4144 58.2421 64.1497 172.0361 5 L 4.5840 8.2193 119.4559 51.6741 43.4738 175.2751 6 S 4.2620 8.9461 117.6473 60.5433 64.4752 173.5045 7 Y 4.6307 7.8040 120.9417 55.6544 40.0898 174.3152 8 R 4.4560 6.8861 120.9391 54.5624 31.7363 175.3117 9 C 4.3433 8.2582 116.1071 56.2956 40.7880 173.5144 10 P 3.9679 0.0000 0.0000 64.4301 31.2822 177.0900 11 C 4.7098 7.2092 116.6361 54.9250 41.5009 173.8176 12 R 3.9593 8.4588 125.9728 58.8924 29.9732 175.5617 13 F 4.7717 7.0329 111.7080 56.8101 40.3699 173.2536 *14 F 4.6366 8.6215 118.9578 55.1318 39.5580 172.8448 15 E 4.8553 9.0448 124.4681 54.5684 31.0651 176.6859 16 S 4.6232 8.6083 120.7213 59.4107 64.6482 174.7891 17 H 4.6195 8.3346 118.3997 56.0639 29.4752 174.4568 18 V 4.1412 7.4912 118.6609 60.4972 32.3676 175.8825 19 A 4.2514 8.4199 127.6991 51.1599 19.4923 177.7213 20 R 2.5100 7.7884 121.0187 58.9423 29.8707 178.3822 21 A 4.0119 7.5494 117.3356 53.6038 18.5288 176.9022 22 N 4.7530 7.9799 113.9836 52.9246 39.5056 174.0332 23 V 4.8239 7.2226 110.6728 60.3464 33.9059 175.6214 24 K 4.2716 9.4842 127.8083 59.6997 32.4890 177.5729 *25 H 5.1041 8.0999 117.2738 53.1735 32.4653 173.6711 26 L 5.3246 8.5714 119.6338 52.7773 44.5534 175.8991 27 K 4.5718 9.2177 123.9978 54.6181 35.6109 174.9653 28 I 4.4435 8.5186 128.4496 60.8119 37.9925 174.9288 29 L 4.4072 9.1606 131.0582 53.7325 43.4789 174.6783 30 N 5.2920 8.8984 125.8742 51.7260 39.5886 173.1053 31 T 4.7170 8.0459 114.3183 58.1708 71.7062 172.6762 32 P 4.1264 0.0000 0.0000 64.6268 31.6206 176.1705 33 N 4.3831 9.0585 117.9125 53.9597 36.0895 174.4616 34 C 5.0341 7.7912 114.6351 54.5030 43.4545 174.0207 35 A 4.2409 8.4855 125.5774 52.0332 18.5880 177.3037 36 L 4.1911 8.3191 119.5775 55.3419 42.2956 177.0066 37 Q 4.7069 8.9501 121.5879 54.0858 33.2191 174.2230 38 I 4.8453 8.2285 122.1649 59.6086 40.0935 174.5133 39 V 4.8418 8.8786 127.2144 61.0460 34.0704 174.2218 40 A 5.2837 9.2266 130.8681 50.8478 22.8518 175.4210 41 R 4.9850 8.5937 120.7748 55.2911 31.6408 176.0051 42 L 4.7669 8.9900 127.2231 53.9296 42.7306 179.0235 43 K 4.1678 9.3239 127.0704 58.1396 31.6946 178.2757 44 N 4.5726 8.3302 116.3539 55.0928 37.7930 175.6943 45 N 4.7950 7.9782 110.6900 52.6161 40.7451 174.5323 46 N 4.5170 8.3015 118.2904 54.2976 36.7252 175.2008 47 R 4.1677 8.1535 119.1346 57.2153 30.7843 178.9408 48 Q 5.0636 8.5016 121.5543 54.8436 30.7676 175.1925 49 V 4.5437 8.6175 118.5968 59.7067 36.5240 173.8860 50 C 5.0410 8.6429 121.6625 56.4603 41.3607 172.5364 51 I 4.9590 8.3184 118.2357 58.8843 39.6362 175.0921 52 D 4.3956 8.3971 124.4628 53.9176 41.3158 175.4431 53 P 4.1443 0.0000 0.0000 65.0727 31.5310 177.3348 54 K 4.2143 8.0248 116.0825 56.3410 32.2674 177.3254 55 L 4.0227 8.0227 125.8315 55.0538 43.3107 177.6320 56 K 3.8637 8.7706 131.9509 60.0841 31.5849 176.4849 57 W 4.6034 7.9845 116.8590 58.6779 28.1809 178.4196 58 I 3.3578 6.6924 120.8928 64.1789 36.6962 177.7247 59 Q 3.9094 7.8464 118.8530 59.2929 28.4972 179.1953 60 E 4.1125 8.3378 121.7177 59.9062 29.4010 179.4627 *61 Y 4.0933 8.1018 121.2308 62.2295 36.8107 180.8410 62 L 4.4340 8.4407 119.3787 56.5609 41.9286 178.8777 63 E 4.3056 8.1030 121.4136 59.3779 29.6150 178.9660 64 K 4.3046 8.5162 121.1219 58.0770 31.8437 180.2662 65 A 4.6482 7.5544 121.4070 55.3811 19.3667 178.5190 66 L 4.4299 7.5634 118.9080 53.2885 42.4924 179.6392 *67 N 4.6201 8.3291 120.8776 52.0512 38.2436 174.4016 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 S 8.33 4.45 0.00 4.00 3.98 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 5 L 8.22 4.58 0.00 1.76 1.67 0.96 0.55 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 6 S 8.95 4.26 0.00 4.02 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 7 Y 7.80 4.63 0.00 2.94 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 6.89 4.46 0.00 1.77 1.71 0.00 3.01 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.45 0.00 9 C 8.26 4.34 0.00 2.95 2.99 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 10 P 0.00 3.97 0.00 1.98 2.05 0.00 3.72 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 11 C 7.21 4.71 0.00 3.07 2.91 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 12 R 8.46 3.96 0.00 1.65 1.65 0.00 3.55 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.67 0.00 13 F 7.03 4.77 0.00 3.14 2.99 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 *14 F 8.62 4.64 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.04 4.86 0.00 2.12 1.88 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 2.31 2.43 0.00 16 S 8.61 4.62 0.00 3.94 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 17 H 8.33 4.62 0.00 3.18 3.32 0.00 5.72 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.49 4.14 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 0.85 0.00 0.00 1.16 0.00 0.00 19 A 8.42 4.25 1.22 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 0.00 0.00 20 R 7.79 2.51 0.00 0.67 1.28 0.00 3.08 0.00 0.00 2.99 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.00 21 A 7.55 4.01 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.98 4.75 0.00 2.74 2.85 0.00 0.00 6.91 7.78 0.00 0.00 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 V 7.22 4.82 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.03 0.00 0.00 24 K 9.48 4.27 0.00 1.69 1.86 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.39 7.81 *25 H 8.10 5.10 0.00 2.54 2.86 0.00 7.13 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.57 5.32 0.00 1.54 1.61 1.10 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.22 4.57 0.00 1.78 1.60 0.00 1.51 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.43 7.81 28 I 8.52 4.44 1.87 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 0.66 0.90 0.00 0.00 29 L 9.16 4.41 0.00 1.70 1.53 0.92 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.90 5.29 0.00 2.73 2.69 0.00 0.00 7.09 7.70 0.00 0.00 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 T 8.05 4.72 4.41 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 1.25 0.00 0.00 32 P 0.00 4.13 0.00 1.79 1.93 0.00 3.93 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 1.93 2.09 0.00 33 N 9.06 4.38 0.00 3.03 3.00 0.00 0.00 6.85 7.66 0.00 0.00 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 C 7.79 5.03 0.00 3.03 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 35 A 8.49 4.24 1.24 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 0.00 0.00 0.00 36 L 8.32 4.19 0.00 1.53 1.61 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.95 4.71 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 38 I 8.23 4.85 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.00 0.88 0.00 0.00 39 V 8.88 4.84 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 0.90 0.00 0.00 0.90 0.00 0.00 40 A 9.23 5.28 1.27 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 41 R 8.59 4.98 0.00 1.52 1.81 0.00 3.26 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 42 L 8.99 4.77 0.00 1.59 1.72 0.94 0.63 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 43 K 9.32 4.17 0.00 1.50 1.72 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.26 7.81 44 N 8.33 4.57 0.00 2.80 2.97 0.00 0.00 5.80 8.04 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 45 N 7.98 4.80 0.00 2.78 2.89 0.00 0.00 6.15 8.04 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 46 N 8.30 4.52 0.00 2.88 3.05 0.00 0.00 6.82 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 47 R 8.15 4.17 0.00 1.52 1.81 0.00 3.24 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.00 48 Q 8.50 5.06 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 49 V 8.62 4.54 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.96 0.00 0.00 50 C 8.64 5.04 0.00 2.88 2.93 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 51 I 8.32 4.96 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.53 0.98 0.00 0.00 52 D 8.40 4.40 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.14 0.00 2.02 2.03 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 54 K 8.02 4.21 0.00 2.05 1.80 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.46 1.24 7.81 55 L 8.02 4.02 0.00 1.74 1.04 0.99 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.77 3.86 0.00 1.80 1.83 0.00 1.84 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.46 1.10 7.81 57 W 7.98 4.60 0.00 3.59 3.38 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 58 I 6.69 3.36 1.46 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.19 0.69 0.00 0.00 59 Q 7.85 3.91 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 60 E 8.34 4.11 0.00 2.13 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 2.35 2.56 0.00 *61 Y 8.10 4.09 0.00 2.30 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 62 L 8.44 4.43 0.00 1.67 1.74 0.90 1.13 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 E 8.10 4.31 0.00 2.18 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 2.30 2.46 0.00 64 K 8.52 4.30 0.00 1.82 1.71 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 65 A 7.55 4.65 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 66 L 7.56 4.43 0.00 1.58 1.42 0.92 1.45 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 *67 N 8.33 4.62 0.00 2.48 2.66 0.00 0.00 6.82 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.