NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5686 8.3601 119.5551 52.6187 41.5651 174.7199 3 A 4.0814 8.3719 123.4825 50.5062 18.8199 175.6287 4 K 4.6175 8.4243 121.1438 55.1111 36.9153 173.9711 5 F 4.3818 8.6907 121.5176 56.6736 39.0428 174.8257 6 L 4.7917 7.8981 127.9861 52.6745 44.5139 176.1806 7 E 4.5066 8.4717 120.7372 54.0239 32.4534 175.0626 8 I 3.8018 8.2638 122.9795 61.1414 38.7927 176.3551 9 L 4.4557 8.1249 128.3720 53.2230 40.1541 175.9145 10 V 4.5698 7.1973 113.2587 58.6848 36.1062 175.3019 11 C 3.8251 8.8686 123.2481 58.7591 31.6640 173.0722 12 P 4.3037 0.0000 0.0000 64.7449 30.5909 176.4627 13 L 4.3988 7.3816 118.2488 56.3235 42.4105 176.9355 14 C 4.2703 7.8126 112.0091 58.1178 30.5508 174.6991 15 K 3.9694 7.9767 118.8359 57.3434 29.8361 175.8503 16 G 3.9870 7.2430 109.4774 43.3455 0.0000 172.2553 17 P 4.6421 0.0000 0.0000 62.5859 31.9624 175.5052 18 L 5.0528 8.1612 118.5949 53.1137 44.8039 175.8525 19 V 4.3282 8.6523 122.4026 61.3330 33.3878 174.4900 20 F 4.9849 8.9530 130.8598 57.9526 40.4646 173.9299 21 D 4.3615 8.5409 127.1179 52.2694 41.7317 176.6513 22 K 3.3843 8.1355 128.3098 59.1860 32.5174 178.2371 23 S 4.1880 8.0266 111.9168 60.5580 62.9516 174.8316 24 K 4.2598 7.9493 117.0598 54.9503 33.3079 175.7512 25 D 4.3921 7.5382 118.0892 54.2746 38.5395 171.9200 26 E 5.1600 7.2447 118.2634 55.3609 35.5420 175.9423 27 L 5.2268 9.0722 121.3629 53.3783 44.3928 175.6964 28 I 4.8990 9.0415 125.7901 59.9671 39.7376 174.5407 29 C 4.8381 9.1909 127.7242 57.7531 32.1368 174.1481 30 K 3.8818 9.0325 128.4593 59.5776 32.0377 179.1147 31 G 3.8870 8.1991 105.7530 47.9575 0.0000 173.4838 32 D 4.6565 7.6790 119.7731 53.7677 42.5146 176.7006 33 R 3.8888 7.8863 117.6303 57.4912 27.3537 180.9116 34 L 5.3307 7.5214 117.6685 53.1213 46.7684 176.9158 35 A 5.1326 8.6954 123.8263 50.2704 21.6655 175.1468 36 F 4.9548 9.5150 122.4688 55.4655 41.1145 174.1299 37 P 4.8838 0.0000 0.0000 62.5422 32.8677 175.4974 38 I 4.6413 7.8915 120.9597 59.7972 39.1824 175.3176 39 K 4.4423 9.0364 129.9286 56.2510 33.9434 177.1592 40 D 4.4795 9.6672 122.4257 54.3376 37.0802 171.4861 41 G 3.9127 8.5064 105.2662 46.4532 0.0000 173.9385 42 I 4.2442 7.7236 121.5413 58.3684 38.6785 174.5112 43 P 4.9691 0.0000 0.0000 62.1141 32.2518 175.2290 *46 L 4.1762 8.1675 117.1639 54.9336 43.0136 177.4560 47 E 4.1996 9.1233 124.3520 59.4491 29.7062 179.0569 48 S 4.2152 8.1624 111.6964 61.0544 63.0212 174.9986 49 E 4.1616 8.1130 119.0347 57.7497 29.7307 176.7920 50 A 4.0494 7.5608 120.7514 51.5012 19.0529 177.1063 51 R 4.5996 8.2022 116.9513 54.0911 32.5089 175.2337 52 E 4.5417 8.5995 120.8525 56.2944 30.3374 176.6880 53 L 4.3224 8.2959 123.0344 54.4670 42.7766 177.0184 54 A 4.3954 8.9188 125.2525 50.7950 19.4468 177.1011 55 P 4.4080 0.0000 0.0000 65.2145 31.2769 178.2419 56 E 4.1571 8.1384 116.0440 58.3567 30.1719 177.6012 57 E 4.3701 8.0283 119.2793 57.9633 30.1918 177.9241 58 E 4.1193 7.7360 117.2877 58.9488 29.3993 179.5134 59 V 3.6609 7.8190 112.8060 64.2479 31.4667 178.2203 60 K 4.1386 7.5483 114.7227 58.7152 32.7419 177.5117 61 L 4.2967 7.5149 118.3100 54.5308 42.1479 176.4231 62 E 4.2288 7.8898 124.0389 56.5363 29.8053 174.3863 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 D 8.36 4.57 0.00 2.71 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 8.37 4.08 1.29 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 0.00 0.00 4 K 8.42 4.62 0.00 1.85 1.77 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.30 1.41 7.81 5 F 8.69 4.38 0.00 3.05 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 6 L 7.90 4.79 0.00 1.51 1.46 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.47 4.51 0.00 1.91 1.54 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 2.40 2.36 0.00 8 I 8.26 3.80 1.83 0.00 0.00 0.83 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 0.79 0.86 0.00 0.00 9 L 8.12 4.46 0.00 1.65 1.59 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.20 4.57 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 0.68 0.00 0.00 0.88 0.00 0.00 11 C 8.87 3.83 0.00 2.90 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 12 P 0.00 4.30 0.00 2.23 2.07 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.92 0.00 13 L 7.38 4.40 0.00 1.83 1.72 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.81 4.27 0.00 3.11 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 15 K 7.98 3.97 0.00 1.93 1.94 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.39 7.81 16 G 7.24 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 17 P 0.00 4.64 0.00 2.20 2.07 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 18 L 8.16 5.05 0.00 1.55 1.66 0.76 0.92 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 19 V 8.65 4.33 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 0.89 0.00 0.00 0.97 0.00 0.00 20 F 8.95 4.98 0.00 3.05 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.54 4.36 0.00 2.60 2.35 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 22 K 8.14 3.38 0.00 1.61 1.68 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.53 7.81 23 S 8.03 4.19 0.00 3.97 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 24 K 7.95 4.26 0.00 1.71 1.90 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.35 1.29 7.81 25 D 7.54 4.39 0.00 3.02 2.89 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 26 E 7.24 5.16 0.00 1.87 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 2.30 2.48 0.00 27 L 9.07 5.23 0.00 1.71 1.67 0.98 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 28 I 9.04 4.90 1.91 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 1.14 0.63 0.98 0.00 0.00 29 C 9.19 4.84 0.00 3.12 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 9.03 3.88 0.00 1.89 1.81 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.52 7.81 31 G 8.20 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 0.00 0.00 0.00 32 D 7.68 4.66 0.00 2.87 2.75 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 33 R 7.89 3.89 0.00 1.89 1.92 0.00 3.21 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 34 L 7.52 5.33 0.00 1.54 1.14 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.70 5.13 1.18 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 0.00 0.00 0.00 36 F 9.52 4.95 0.00 3.15 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 37 P 0.00 4.88 0.00 2.11 2.06 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 38 I 7.89 4.64 2.08 0.00 0.00 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 1.34 0.80 0.95 0.00 0.00 39 K 9.04 4.44 0.00 1.78 1.69 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.37 7.81 40 D 9.67 4.48 0.00 2.83 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 41 G 8.51 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 42 I 7.72 4.24 1.86 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.68 0.57 0.00 0.00 43 P 0.00 4.97 0.00 2.28 2.10 0.00 3.89 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 *46 L 8.17 4.18 0.00 1.84 1.72 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 47 E 9.12 4.20 0.00 2.11 2.03 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 2.42 2.38 0.00 48 S 8.16 4.22 0.00 4.04 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 49 E 8.11 4.16 0.00 2.28 2.11 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 2.38 2.48 0.00 50 A 7.56 4.05 0.30 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 51 R 8.20 4.60 0.00 1.81 1.93 0.00 2.73 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.47 0.00 52 E 8.60 4.54 0.00 1.84 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 2.27 2.30 0.00 53 L 8.30 4.32 0.00 1.53 1.57 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.92 4.40 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 55 P 0.00 4.41 0.00 2.35 2.31 0.00 3.43 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 56 E 8.14 4.16 0.00 2.13 2.11 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 2.26 2.38 0.00 57 E 8.03 4.37 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 58 E 7.74 4.12 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 59 V 7.82 3.66 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 0.92 0.00 0.00 0.98 0.00 0.00 60 K 7.55 4.14 0.00 1.96 1.93 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.39 7.81 61 L 7.51 4.30 0.00 1.62 1.75 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 62 E 7.89 4.23 0.00 2.11 2.18 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 2.20 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.