NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 I 4.3528 7.8833 120.8101 61.0953 39.6459 177.2729 8 R 3.8656 7.8411 118.4372 58.0553 30.0987 176.1616 9 H 4.5893 8.3756 115.3767 56.9258 29.6880 176.2717 10 F 4.2517 8.1683 118.5637 60.4836 39.0091 177.1623 11 W 4.4268 8.4985 119.4130 58.8550 29.3483 178.1669 12 K 3.9161 8.5579 118.9071 59.6540 30.2260 177.4661 13 E 4.2636 8.1348 116.4754 58.2782 30.3941 179.0399 14 S 4.3448 7.9161 115.6767 61.4024 62.7115 176.4623 15 R 3.9443 8.0285 120.4088 59.1127 29.6561 178.4819 16 R 3.8686 7.4604 116.1964 59.8476 29.6606 178.2710 17 A 4.0092 7.6706 118.8004 55.0676 18.1018 179.3247 18 F 3.8579 7.9671 118.5105 60.7785 39.8139 176.5877 19 L 4.2576 8.0016 120.0675 57.2648 41.8296 178.5571 20 V 3.7339 7.4932 118.0964 64.3332 31.5680 177.1907 21 T 3.8223 7.2577 110.5436 61.2974 68.8942 174.0236 22 K 3.9571 8.2109 129.4226 59.4899 32.6729 176.2022 23 K 4.4039 7.4187 118.7688 51.5248 33.5068 176.4749 24 P 4.0002 0.0000 0.0000 60.7163 31.8597 173.7409 25 N 3.5690 7.9685 123.3195 52.0996 40.0528 174.8085 26 W 4.5444 7.7536 127.8569 59.2402 29.4291 178.0510 *28 A 4.6881 7.7554 120.4319 52.6440 20.0201 178.8424 29 T 3.7060 7.6502 108.7350 64.8209 67.4210 175.8543 30 Y 3.9871 8.5228 122.1832 60.8010 39.0259 178.1796 31 K 3.8412 8.4143 118.7227 59.5138 32.0496 179.4628 32 R 3.9502 7.4880 117.6938 59.3095 30.1422 178.8884 33 A 3.9652 8.1251 120.3305 55.0072 18.2611 179.5471 34 A 3.8261 7.8925 119.5308 55.0899 18.2999 179.9892 35 K 3.9474 7.6320 115.9764 59.1933 32.0322 179.6930 36 I 3.6653 7.6932 120.4943 64.6964 37.1099 178.5892 37 T 4.0590 8.3495 111.1050 64.4777 68.7093 177.0317 38 G 3.5944 8.1175 108.6660 47.6419 0.0000 175.7307 39 L 4.1006 8.3398 122.0207 57.2896 41.6459 179.9075 40 G 3.5807 7.8962 106.2117 47.7621 0.0000 175.9152 41 I 3.7620 7.7847 116.0479 63.6673 37.1103 178.1303 42 I 3.8552 8.1238 120.4234 63.6148 37.7300 177.2848 43 L 4.1752 7.8884 120.5090 57.0978 41.5632 178.9072 44 I 3.8335 8.0588 113.2536 64.1779 37.3268 178.5031 45 G 3.5979 7.7847 106.1499 47.5056 0.0000 175.8436 46 L 4.0486 7.6478 120.9794 57.4933 41.6358 179.6832 47 I 3.8648 7.9276 113.3629 63.9421 37.6735 178.6168 48 G 3.6225 7.9050 107.2001 47.5453 0.0000 175.3712 49 M 4.1138 8.1323 120.5275 58.3896 31.8945 178.3183 50 L 4.1875 7.8808 119.2331 57.6068 41.7230 179.5285 51 I 3.8765 7.7610 119.9595 64.1361 37.2796 178.3171 52 R 3.9821 7.8237 119.2257 59.3676 29.9272 178.7473 53 I 3.7474 8.2901 120.1735 64.2794 37.1190 178.5856 54 V 3.7031 7.5442 118.0556 65.9045 31.2840 178.3524 55 G 3.6036 8.6928 106.1500 47.7621 0.0000 175.7407 56 I 3.8027 7.7226 115.0857 63.3823 37.4688 178.4706 57 L 4.1353 7.7230 122.2385 58.2535 41.5662 179.8239 58 I 3.9476 7.8540 121.2461 65.0999 36.6525 179.7056 59 L 4.8443 7.9751 121.4438 51.5469 41.2221 179.0285 60 G 4.4787 6.5469 118.6262 45.4116 0.0000 172.2512 61 G 3.7311 8.8867 114.9530 46.1633 0.0000 172.0060 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 7 I 7.88 4.35 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.35 0.94 0.00 0.00 8 R 7.84 3.87 0.00 1.89 1.89 0.00 3.13 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 9 H 8.38 4.59 0.00 3.25 3.30 0.00 5.66 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 10 F 8.17 4.25 0.00 3.17 3.27 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 11 W 8.50 4.43 0.00 3.34 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 12 K 8.56 3.92 0.00 1.80 2.00 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.55 7.81 13 E 8.13 4.26 0.00 2.11 1.97 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 2.36 2.38 0.00 14 S 7.92 4.34 0.00 3.80 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.03 3.94 0.00 1.87 1.99 0.00 3.26 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 16 R 7.46 3.87 0.00 1.85 2.10 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 17 A 7.67 4.01 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 18 F 7.97 3.86 0.00 2.89 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 19 L 8.00 4.26 0.00 1.88 1.73 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.49 3.73 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 0.71 0.00 0.00 0.91 0.00 0.00 21 T 7.26 3.82 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 1.11 0.00 0.00 22 K 8.21 3.96 0.00 1.66 1.85 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.38 7.81 23 K 7.42 4.40 0.00 1.79 1.56 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.27 1.00 7.81 24 P 0.00 4.00 0.00 1.92 1.93 0.00 3.55 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 25 N 7.97 3.57 0.00 2.74 2.76 0.00 0.00 7.19 7.95 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 26 W 7.75 4.54 0.00 3.49 3.29 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 *28 A 7.76 4.69 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 29 T 7.65 3.71 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 1.22 0.00 0.00 30 Y 8.52 3.99 0.00 2.65 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 31 K 8.41 3.84 0.00 2.13 1.92 0.00 1.95 0.00 0.00 1.92 0.00 0.00 3.10 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.74 1.99 7.81 32 R 7.49 3.95 0.00 2.05 1.94 0.00 3.19 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 33 A 8.13 3.97 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 34 A 7.89 3.83 1.01 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 0.00 0.00 35 K 7.63 3.95 0.00 1.99 1.84 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.69 1.60 7.81 36 I 7.69 3.67 1.88 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 1.55 0.86 0.88 0.00 0.00 37 T 8.35 4.06 4.21 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 1.22 0.00 0.00 38 G 8.12 3.59 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 0.00 0.00 0.00 39 L 8.34 4.10 0.00 1.98 1.71 0.91 0.73 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 40 G 7.90 3.58 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 0.00 0.00 0.00 41 I 7.78 3.76 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.95 0.94 0.00 0.00 42 I 8.12 3.86 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.32 0.95 0.00 0.00 43 L 7.89 4.18 0.00 2.07 1.63 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.06 3.83 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 1.61 0.74 0.91 0.00 0.00 45 G 7.78 3.60 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 46 L 7.65 4.05 0.00 2.03 1.73 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.93 3.86 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.49 0.99 0.00 0.00 48 G 7.91 3.62 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 0.00 49 M 8.13 4.11 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 50 L 7.88 4.19 0.00 1.94 1.70 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.76 3.88 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.85 0.91 0.00 0.00 52 R 7.82 3.98 0.00 2.13 1.92 0.00 3.25 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 53 I 8.29 3.75 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.87 0.91 0.00 0.00 54 V 7.54 3.70 2.22 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 1.01 0.00 0.00 0.95 0.00 0.00 55 G 8.69 3.60 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 56 I 7.72 3.80 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.95 0.97 0.00 0.00 57 L 7.72 4.14 0.00 1.92 1.77 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.85 3.95 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.62 0.91 0.00 0.00 59 L 7.98 4.84 0.00 1.64 1.53 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 60 G 6.55 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.89 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.