NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 E 4.4377 8.4449 116.7535 55.7631 31.9356 174.0910 10 E 4.4978 8.4103 117.3514 57.5103 33.8531 172.4815 11 E 4.0537 8.3895 117.3399 56.0442 31.0124 175.8788 12 E 4.6898 8.0733 119.7600 55.6224 32.3686 175.3271 13 L 4.2428 8.7315 129.0595 54.2221 42.1128 175.6628 14 V 4.2995 8.0679 125.8116 60.6896 33.9582 174.2462 15 D 4.5146 8.6504 127.1341 53.0347 41.4454 174.5319 16 P 4.2560 0.0000 0.0000 66.3177 30.8322 177.7898 17 L 3.9305 8.1929 119.6266 58.3390 41.8355 179.3494 18 T 3.8833 8.2370 115.9840 67.2370 68.4848 176.2727 19 T 3.8503 8.0603 116.7879 67.3106 68.3487 176.0800 20 I 3.7502 8.2890 121.1205 64.7397 37.4141 178.7766 21 R 3.9339 8.1158 118.6637 59.4448 29.6839 179.0219 22 E 4.3961 8.0750 118.6067 58.9387 29.6831 178.6927 23 H 4.3265 8.2117 118.3957 59.6520 29.9237 176.8639 24 C 4.3260 8.5369 118.4179 59.7283 35.7121 175.3571 25 E 4.1786 8.2281 118.5885 57.6037 28.8450 177.5643 26 Q 4.6603 7.8065 118.1852 56.1159 29.6183 175.9412 27 T 4.5827 7.3553 114.2467 61.4983 71.8159 174.4386 28 E 4.0055 8.6994 125.0144 59.7593 29.6296 179.5376 29 K 3.9682 8.0532 117.5919 59.7174 31.9656 179.0292 30 C 4.2755 7.9996 116.3216 62.8101 28.1513 175.8922 31 V 3.8349 8.6343 120.7020 66.0902 31.0910 178.1195 32 K 3.9280 8.4999 118.1262 59.3996 31.9101 179.1458 33 A 4.0224 8.0891 120.8574 55.2889 18.3864 179.3708 34 R 3.3463 9.0270 118.3881 59.4842 30.0875 178.0677 35 E 3.8630 8.3842 119.0303 59.6307 29.6906 179.2116 36 R 3.9660 8.0442 117.7919 58.7807 30.0253 178.9881 37 L 3.8585 7.9220 120.4532 58.2788 42.1329 178.7602 38 E 3.9903 8.1704 118.5334 59.4127 29.3275 179.4542 39 L 3.9680 7.8077 118.7109 57.7883 41.6502 178.7021 40 C 4.1526 8.1182 118.3219 59.6619 40.7461 174.6516 41 D 4.2803 8.5013 119.7681 57.6127 40.6985 178.0511 42 A 3.9540 8.3102 121.3868 55.5506 18.1379 179.8473 43 R 3.9604 7.7121 114.3548 58.8208 29.9707 178.8574 44 V 3.7051 8.2445 119.4159 65.9015 31.3265 178.2547 45 S 4.1864 8.3605 114.5280 61.3732 62.5581 176.2706 46 S 4.2933 8.2469 115.8180 59.0156 63.0921 173.9361 47 R 4.6160 7.0375 121.2144 54.9958 31.6710 176.2476 48 S 4.6759 8.4187 115.2286 58.9177 64.2173 174.7506 49 H 4.9025 7.6103 118.7340 55.4009 30.3138 172.3167 50 T 4.6527 7.2759 114.1297 60.2402 70.8416 173.3207 51 E 4.1247 8.7190 126.5078 58.0913 30.1470 176.8419 52 E 3.9992 7.2143 117.7757 56.8548 30.1472 176.0210 53 Q 4.5987 8.1055 120.6467 54.1607 33.0036 175.6592 54 C 5.6056 8.3283 117.4649 56.7914 39.3721 176.5361 55 T 3.4581 7.6881 119.7523 66.6244 67.9162 175.5118 56 E 3.7744 7.8478 120.4484 59.5016 29.7234 178.6606 57 E 3.9958 8.0311 117.9925 59.0262 29.5784 178.9369 58 L 4.1062 8.0860 120.6867 58.2456 42.1339 179.0691 59 F 4.5397 8.6297 118.1805 60.8470 38.9840 177.1960 60 D 4.3911 8.5910 118.8389 57.4754 40.6026 178.8803 61 F 4.2311 8.4757 120.8153 61.4509 39.4819 177.1395 62 L 3.7098 8.6347 118.9323 57.9976 41.4869 179.1371 63 H 3.9788 8.9436 118.4193 59.1387 29.6154 177.2937 64 A 3.9722 7.8903 122.2917 55.0252 18.1869 179.4255 65 R 3.6986 7.9187 117.5707 59.8364 30.1433 178.5041 66 D 4.2643 8.1180 118.6850 57.5249 40.5168 178.4024 67 H 4.0425 7.7662 117.6893 59.1675 30.1127 176.2593 68 C 4.3933 7.9310 120.2802 59.6099 43.5674 175.4749 69 V 3.5077 7.9135 119.7474 66.2444 30.8458 177.5473 70 A 3.7546 7.7951 118.8395 55.8493 18.0763 179.0758 71 H 4.1605 8.0122 113.3122 58.1008 28.9531 177.1964 72 K 4.3442 7.8367 118.9522 58.1466 32.9811 178.2897 73 L 3.9445 8.0246 121.0750 58.5516 42.1134 179.2943 74 F 4.4681 8.3712 116.4175 60.0926 38.6526 177.2513 75 N 4.4557 8.4877 116.4223 55.6927 38.4204 175.9099 76 K 4.2926 7.7520 116.7559 56.5106 32.7151 176.4774 77 L 4.5147 7.2836 118.8034 53.1346 43.5091 176.5159 78 K 4.0919 8.2463 119.8111 56.6379 32.1673 175.9634 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 *9 E 8.44 4.44 0.00 1.73 1.79 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 2.13 2.40 0.00 10 E 8.41 4.50 0.00 1.94 1.93 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 2.20 2.45 0.00 11 E 8.39 4.05 0.00 1.93 1.89 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 2.31 2.36 0.00 12 E 8.07 4.69 0.00 1.88 1.79 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 2.04 2.11 0.00 13 L 8.73 4.24 0.00 1.62 1.58 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.07 4.30 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 0.87 0.00 0.00 0.94 0.00 0.00 15 D 8.65 4.51 0.00 2.76 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 16 P 0.00 4.26 0.00 2.32 2.34 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 17 L 8.19 3.93 0.00 1.84 1.74 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.24 3.88 4.34 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 1.23 0.00 0.00 19 T 8.06 3.85 4.43 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 1.22 0.00 0.00 20 I 8.29 3.75 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.86 0.94 0.00 0.00 21 R 8.12 3.93 0.00 2.14 2.01 0.00 3.21 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 22 E 8.07 4.40 0.00 2.13 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 0.00 2.38 2.48 0.00 23 H 8.21 4.33 0.00 3.28 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.54 4.33 0.00 2.98 3.08 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 0.00 0.00 0.00 25 E 8.23 4.18 0.00 2.28 2.13 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 2.64 2.57 0.00 26 Q 7.81 4.66 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 27 T 7.36 4.58 4.38 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 1.23 0.00 0.00 28 E 8.70 4.01 0.00 2.03 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 2.39 2.43 0.00 29 K 8.05 3.97 0.00 1.83 1.85 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.53 7.81 30 C 8.00 4.28 0.00 3.20 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.63 3.83 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 1.13 0.00 0.00 1.02 0.00 0.00 32 K 8.50 3.93 0.00 1.98 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.69 7.81 33 A 8.09 4.02 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.03 3.35 0.00 1.41 2.15 0.00 3.06 0.00 0.00 2.70 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 35 E 8.38 3.86 0.00 2.27 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 2.29 2.34 0.00 36 R 8.04 3.97 0.00 1.92 1.96 0.00 3.19 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 37 L 7.92 3.86 0.00 1.77 1.73 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.17 3.99 0.00 2.12 1.94 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 2.23 2.53 0.00 39 L 7.81 3.97 0.00 1.86 1.70 0.91 0.66 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 40 C 8.12 4.15 0.00 2.99 3.22 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 41 D 8.50 4.28 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 42 A 8.31 3.95 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 43 R 7.71 3.96 0.00 1.99 2.07 0.00 3.06 0.00 0.00 2.99 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.48 0.00 44 V 8.24 3.71 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 1.04 0.00 0.00 0.98 0.00 0.00 45 S 8.36 4.19 0.00 3.97 3.90 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 46 S 8.25 4.29 0.00 4.06 4.19 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 0.00 0.00 0.00 0.00 47 R 7.04 4.62 0.00 1.85 1.88 0.00 3.12 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 48 S 8.42 4.68 0.00 3.84 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 49 H 7.61 4.90 0.00 3.01 3.18 0.00 5.87 0.00 0.00 0.00 0.00 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.28 4.65 4.23 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 0.00 0.00 1.20 0.00 0.00 51 E 8.72 4.12 0.00 1.97 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 2.25 2.20 0.00 52 E 7.21 4.00 0.00 1.94 1.86 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 2.31 2.29 0.00 53 Q 8.11 4.60 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.29 0.00 0.00 0.00 0.00 0.00 2.22 2.49 0.00 54 C 8.33 5.61 0.00 2.91 3.08 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 0.00 0.00 0.00 55 T 7.69 3.46 3.90 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 0.25 0.00 0.00 56 E 7.85 3.77 0.00 1.95 1.87 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 2.37 2.41 0.00 57 E 8.03 4.00 0.00 2.08 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 2.38 2.42 0.00 58 L 8.09 4.11 0.00 1.86 1.91 1.14 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.63 4.54 0.00 3.20 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 60 D 8.59 4.39 0.00 2.95 2.81 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 61 F 8.48 4.23 0.00 3.18 3.34 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 62 L 8.63 3.71 0.00 1.73 1.67 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.94 3.98 0.00 3.22 3.48 0.00 5.58 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.89 3.97 1.35 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 0.00 0.00 65 R 7.92 3.70 0.00 1.11 1.46 0.00 3.06 0.00 0.00 2.95 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 66 D 8.12 4.26 0.00 2.78 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 67 H 7.77 4.04 0.00 3.13 3.43 0.00 5.76 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 7.93 4.39 0.00 2.99 3.34 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 69 V 7.91 3.51 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 1.04 0.00 0.00 0.95 0.00 0.00 70 A 7.80 3.75 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 71 H 8.01 4.16 0.00 3.23 3.38 0.00 5.84 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.84 4.34 0.00 1.85 1.85 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.55 7.81 73 L 8.02 3.94 0.00 1.85 1.76 1.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.37 4.47 0.00 2.97 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 75 N 8.49 4.46 0.00 2.89 2.91 0.00 0.00 6.96 7.52 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 76 K 7.75 4.29 0.00 1.73 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.42 7.81 77 L 7.28 4.51 0.00 1.43 1.41 0.81 1.05 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 78 K 8.25 4.09 0.00 1.66 1.61 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.