NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2221 8.2644 123.5823 51.6118 19.8898 176.2006 2 M 3.7790 8.6705 121.4557 54.5364 31.9306 173.1545 3 D 4.5356 8.1412 126.2310 54.9074 42.0515 177.1985 *5 S 4.2155 7.7151 115.3631 55.7054 65.1369 174.2999 6 A 3.7340 7.9844 122.3672 52.6694 15.9571 176.6194 7 K 4.9256 7.8415 116.6635 57.1077 33.2869 176.3882 8 A 4.7122 8.6846 123.7211 49.7639 23.2518 173.8756 9 P 4.6359 0.0000 0.0000 63.1327 32.1883 175.7112 10 Q 4.4960 9.5346 126.7538 54.6222 30.7238 173.9622 11 I 4.8705 8.2929 127.5894 60.0956 39.2265 175.4033 12 T 4.3771 8.8811 123.1308 61.6990 71.5784 172.8735 13 I 4.5839 8.1389 127.2941 59.8626 38.9372 175.5096 14 F 4.4369 9.3841 127.8256 56.0012 40.0930 173.8728 15 D 5.1098 8.6420 124.4171 52.3916 40.3973 175.7558 16 H 5.0913 8.5147 126.9443 54.4341 29.8221 175.0294 17 R 4.0600 7.6015 117.6815 58.0045 30.2056 177.8777 18 G 3.9465 9.4424 111.7988 45.3039 0.0000 173.2226 19 C 4.2290 8.0824 121.7900 59.3008 31.9134 174.2714 20 S 4.2717 8.5478 120.7407 59.5464 63.3002 174.0417 21 R 3.9883 7.2510 119.2130 55.5220 29.6745 175.7812 22 A 4.1605 8.4173 129.4183 50.9399 19.1067 175.1049 23 P 4.3304 0.0000 0.0000 63.0843 31.7201 176.6264 24 K 4.5673 8.4726 116.9771 56.8878 34.3520 176.3410 25 E 4.4725 7.9817 117.7628 56.4071 30.9314 176.2501 26 S 4.4766 7.7599 113.4895 58.1844 63.9019 173.8571 27 T 4.5660 8.2869 107.8657 60.9925 69.8412 174.5367 28 G 3.9140 8.2929 110.0708 45.1466 0.0000 174.6170 29 G 3.7798 8.1461 108.3897 44.2252 0.0000 172.8445 30 K 4.6874 8.2089 116.8300 54.6636 34.0063 176.6059 31 A 4.1384 9.6949 125.7474 52.6231 18.9277 177.7194 32 G 3.8181 8.7772 103.7736 46.4147 0.0000 173.6564 33 G 4.0153 7.4620 107.7270 45.3797 0.0000 174.3946 34 Q 4.1049 8.3167 116.2100 58.2744 29.1047 177.7517 35 D 4.4310 8.1331 118.8652 57.2555 40.9372 177.5184 36 D 4.6245 8.2029 117.3534 55.7937 40.9276 176.4055 37 E 4.7870 8.4863 118.4238 56.0403 31.2459 175.1535 38 M 5.1228 7.9142 117.9610 54.2022 36.2310 174.4910 39 M 4.7620 8.9829 118.8703 54.6027 36.4977 173.3135 40 V 4.8392 8.4801 124.8933 61.1261 33.5565 174.3530 41 K 4.7257 9.2456 129.8165 54.6642 34.5906 174.8091 42 V 4.9463 8.4754 125.9333 61.1266 34.1469 174.1356 43 A 4.8567 9.1374 128.5669 50.1400 23.1353 174.5700 44 S 5.0559 8.6645 114.0401 56.9204 63.8233 173.3369 45 T 4.7888 8.4215 116.7816 59.4007 72.3823 173.1755 46 K 4.5585 8.6421 124.9018 56.5484 33.0743 176.0752 47 V 4.2896 8.6809 128.5759 62.1131 32.3419 175.4012 48 T 4.6856 8.4167 116.8291 59.7719 71.7198 173.1698 49 V 4.3610 8.1859 123.2163 60.4487 34.2291 176.0095 50 S 4.4338 8.4305 121.9438 58.0616 65.2174 175.0350 51 E 3.9831 8.6511 122.7133 59.5774 29.2404 179.8134 52 S 4.1198 7.9955 113.9596 61.5230 63.1351 176.1915 53 D 4.2861 8.1873 122.3481 56.9969 40.4831 178.4796 54 A 3.9577 8.2193 121.1582 55.0846 18.4121 179.5549 55 A 3.8810 8.1115 119.3702 55.1669 18.2610 179.9566 56 K 3.8370 7.9618 117.0402 59.5620 32.0579 179.7667 57 K 3.4892 7.8455 118.7454 58.9996 31.8975 179.0899 58 L 3.8706 7.8081 120.7949 58.2554 41.7337 178.9015 59 Q 3.9314 7.6509 118.1829 58.8666 29.3236 177.9397 60 E 4.0672 7.6612 119.8718 59.4597 29.6720 179.2413 61 F 4.6462 8.2374 118.2261 60.4314 38.7572 177.1054 62 I 3.5570 7.7354 117.0581 62.4655 37.8626 176.0709 63 T 3.9869 7.0084 107.4639 61.1195 69.4441 174.2437 64 F 4.0651 7.3024 119.7643 59.0839 36.6438 174.3564 65 E 4.6884 8.1220 119.4165 55.0018 31.6860 174.8411 66 K 4.6771 8.1031 118.0055 55.7514 35.6971 175.3215 67 G 4.0408 8.2503 107.6912 44.5604 0.0000 173.4270 68 I 3.8535 8.3495 119.0553 64.4644 37.2283 177.1007 69 D 4.4441 7.7745 118.0810 55.0385 41.3131 177.1085 70 G 4.1300 8.6010 105.8174 44.8879 0.0000 171.7236 71 P 4.3855 0.0000 0.0000 62.1587 32.0163 175.9903 72 F 4.5299 8.7559 123.1029 58.1828 39.2219 175.1397 73 T 4.2822 7.8123 116.8651 60.9484 69.8720 174.4203 74 S 3.8175 6.6724 116.9135 58.4723 62.8006 173.2746 75 K 4.3410 8.1759 125.5957 56.0404 32.4059 175.8671 76 N 4.5790 7.6609 120.5099 53.8127 38.9141 174.1094 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 1 A 8.26 4.22 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 2 M 8.67 3.78 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 3 D 8.14 4.54 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.72 4.22 0.00 4.03 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 6 A 7.98 3.73 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 7 K 7.84 4.93 0.00 1.68 1.75 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.40 7.81 8 A 8.68 4.71 1.20 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 0.00 0.00 9 P 0.00 4.64 0.00 1.95 2.02 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 10 Q 9.53 4.50 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 11 I 8.29 4.87 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 1.34 0.72 0.88 0.00 0.00 12 T 8.88 4.38 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 0.32 0.00 0.00 13 I 8.14 4.58 1.79 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 1.28 0.79 0.90 0.00 0.00 14 F 9.38 4.44 0.00 2.77 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.64 5.11 0.00 2.70 2.65 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 16 H 8.51 5.09 0.00 3.32 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.60 4.06 0.00 1.87 1.91 0.00 3.21 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 18 G 9.44 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 19 C 8.08 4.23 0.00 3.00 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 20 S 8.55 4.27 0.00 4.02 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 21 R 7.25 3.99 0.00 1.82 1.90 0.00 3.41 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 22 A 8.42 4.16 1.23 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 0.00 0.00 0.00 23 P 0.00 4.33 0.00 2.13 2.01 0.00 3.45 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 24 K 8.47 4.57 0.00 1.82 1.83 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.28 1.36 7.81 25 E 7.98 4.47 0.00 1.81 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 2.14 2.26 0.00 26 S 7.76 4.48 0.00 3.96 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 27 T 8.29 4.57 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 28 G 8.29 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 29 G 8.15 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.21 4.69 0.00 1.73 1.85 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.34 7.81 31 A 9.69 4.14 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 32 G 8.78 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 0.00 0.00 0.00 33 G 7.46 4.02 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 0.00 0.00 0.00 34 Q 8.32 4.10 0.00 2.26 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 35 D 8.13 4.43 0.00 2.73 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.20 4.62 0.00 2.77 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.49 4.79 0.00 1.91 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 2.21 2.25 0.00 38 M 7.91 5.12 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 39 M 8.98 4.76 0.00 2.00 1.77 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 40 V 8.48 4.84 2.12 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 0.85 0.00 0.00 0.96 0.00 0.00 41 K 9.25 4.73 0.00 2.11 1.84 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 42 V 8.48 4.95 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 0.87 0.00 0.00 0.94 0.00 0.00 43 A 9.14 4.86 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 44 S 8.66 5.06 0.00 3.87 3.78 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 0.00 0.00 0.00 0.00 45 T 8.42 4.79 4.25 0.00 0.00 0.00 0.00 0.00 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 46 K 8.64 4.56 0.00 1.80 1.76 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.58 7.81 47 V 8.68 4.29 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 0.83 0.00 0.00 0.96 0.00 0.00 48 T 8.42 4.69 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 49 V 8.19 4.36 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 0.89 0.00 0.00 0.94 0.00 0.00 50 S 8.43 4.43 0.00 4.08 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 51 E 8.65 3.98 0.00 2.03 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 2.40 2.37 0.00 52 S 8.00 4.12 0.00 4.02 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.19 4.29 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.22 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 3.88 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 56 K 7.96 3.84 0.00 1.92 1.79 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.64 7.81 57 K 7.85 3.49 0.00 1.58 0.83 0.00 1.47 0.00 0.00 1.49 0.00 0.00 2.94 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.51 1.48 7.81 58 L 7.81 3.87 0.00 1.71 1.75 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.65 3.93 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 60 E 7.66 4.07 0.00 1.92 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 2.27 2.36 0.00 61 F 8.24 4.65 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.74 3.56 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.63 0.86 0.00 0.00 63 T 7.01 3.99 4.18 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 1.12 0.00 0.00 64 F 7.30 4.07 0.00 3.41 3.19 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 65 E 8.12 4.69 0.00 2.01 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 2.30 2.25 0.00 66 K 8.10 4.68 0.00 1.89 1.92 0.00 1.91 0.00 0.00 1.88 0.00 0.00 3.17 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.42 1.50 7.81 67 G 8.25 4.04 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 0.00 0.00 0.00 68 I 8.35 3.85 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.86 0.92 0.00 0.00 69 D 7.77 4.44 0.00 2.68 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 70 G 8.60 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.39 0.00 2.21 2.09 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 72 F 8.76 4.53 0.00 2.93 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 73 T 7.81 4.28 4.10 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 1.15 0.00 0.00 74 S 6.67 3.82 0.00 3.48 3.13 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 0.00 0.00 0.00 75 K 8.18 4.34 0.00 1.62 1.62 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.38 7.81 76 N 7.66 4.58 0.00 1.98 2.41 0.00 0.00 6.74 7.57 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 * Residues marked with a * may have inaccurate shift predictions.