NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9397 8.3549 109.7368 44.9787 0.0000 177.1374 3 K 3.8410 9.2175 117.6449 55.2680 33.1187 170.6505 4 V 4.4728 8.6490 122.3268 61.3429 35.4194 173.5731 5 Y 5.0114 8.7531 123.9203 56.0282 41.2942 174.6826 6 K 4.5311 8.3022 121.8680 54.4869 35.7166 174.7469 7 K 5.0870 8.5817 124.9449 54.6530 34.4009 175.5608 8 V 4.4685 8.8369 124.7562 61.0581 34.6166 173.9121 9 E 4.9998 8.7878 127.7120 54.9965 30.4750 174.7733 10 L 4.8738 9.2020 127.2365 52.8462 45.7061 176.0595 11 V 4.7099 8.3064 120.5945 61.1970 33.5065 175.0779 12 G 4.6189 8.9866 116.4583 45.2369 0.0000 171.8299 13 T 5.7790 8.0426 112.1458 59.0858 72.3108 172.9164 14 S 4.6625 8.2514 114.2938 57.9298 65.3839 175.4155 15 E 4.4423 9.0895 124.4162 57.7458 30.0594 177.7691 16 E 4.2037 8.5137 119.0156 57.2184 30.2174 176.4519 17 G 3.4063 7.1485 104.2983 44.2773 0.0000 173.4549 18 L 3.6757 7.3428 118.1040 57.8902 41.4690 179.4614 19 E 3.8906 8.0125 117.7583 59.3771 29.3948 179.2069 20 A 3.9178 7.8501 120.0994 54.8981 18.4817 179.3965 21 A 4.0696 7.9002 119.3047 55.3126 18.4674 179.8967 22 I 3.4567 7.5724 118.2543 64.7128 37.2051 178.6918 23 Q 3.8984 8.2566 118.8307 58.7669 28.5282 178.8368 24 A 3.9295 8.1246 121.6013 55.0484 18.4409 179.4996 25 A 3.8935 7.8277 118.6869 55.4450 18.5353 179.7809 26 L 3.8927 7.8581 117.2747 57.6425 41.4088 179.5276 27 A 3.9532 8.2055 120.5369 55.0912 18.6440 179.4254 28 R 3.9093 7.8784 116.4819 59.3774 30.1180 178.3087 29 A 3.9140 8.0072 120.9149 55.2892 17.7480 179.5328 30 R 4.1046 7.9630 113.1198 58.1999 29.4080 178.8780 31 K 4.1243 7.7438 119.4276 58.9190 32.0435 177.6074 32 T 4.4711 7.2662 102.9391 60.7652 70.5545 173.8687 33 L 4.4128 7.9343 122.0699 52.8203 43.2682 176.0546 34 R 4.4420 8.0803 121.2842 55.8554 32.4471 175.1425 35 H 4.2210 8.5567 113.6843 56.8283 25.9508 174.9434 36 L 4.4612 8.1510 119.3710 55.5256 41.9572 175.4490 37 D 5.1362 9.2006 122.3553 55.3742 43.1841 176.1736 38 F 5.2349 7.5459 111.3343 55.3325 41.7690 172.6353 39 F 5.5650 8.3007 113.1989 55.4877 41.4604 173.7216 40 E 4.7362 9.4311 118.8031 54.6865 33.5470 174.9874 41 V 4.2058 8.7659 125.2229 63.0766 31.6238 175.5397 42 K 4.5235 9.3055 128.2390 58.3833 33.3126 176.5172 43 E 4.7954 7.6702 114.8128 55.6172 32.7332 174.6548 44 I 4.9241 8.4041 120.8123 59.9086 40.0416 174.9138 45 R 4.7296 9.2793 125.8660 54.4622 35.0438 173.9924 46 G 4.1780 7.8063 106.3503 47.0546 0.0000 172.1801 47 T 4.8242 7.9970 109.6276 59.8555 71.8205 173.4436 48 I 4.8092 8.2661 122.7659 59.8806 39.9255 175.5818 49 G 4.1565 9.0479 115.1767 44.3283 0.0000 172.6699 50 E 3.9170 8.9690 116.0171 58.3843 29.8562 177.3207 51 A 4.6902 8.1749 121.1003 51.7419 20.7031 176.0789 52 G 3.9881 7.4268 109.5530 45.3051 0.0000 177.1986 53 V 3.7098 8.2221 124.5526 62.9635 31.6347 174.6228 54 K 4.2566 8.7769 129.4465 57.9789 32.9889 176.0784 55 E 4.7939 7.7609 120.2258 54.5084 33.1604 173.5699 56 Y 4.6356 9.0396 125.1521 57.8462 39.7516 174.6823 57 Q 4.8077 9.4758 122.4154 54.3489 32.5625 174.4399 58 V 4.6621 8.9639 125.9227 61.0258 33.8007 174.6844 59 V 4.4351 8.7553 129.6190 62.1533 32.8764 174.4234 60 L 5.2360 9.3280 130.0122 53.3708 45.4002 174.7333 61 E 4.9542 9.3632 126.4442 55.4428 31.3997 175.2633 62 V 4.6382 9.2893 124.9372 61.0801 34.1633 174.2459 63 G 3.7374 8.5821 116.1936 44.3936 0.0000 172.3534 64 F 5.5991 8.5996 118.5657 54.8064 41.8803 173.7910 65 R 3.9359 8.8267 122.1679 56.2455 30.5363 175.8445 66 L 4.4297 8.2386 127.2195 54.1881 42.4173 176.8678 67 E 4.0487 8.7254 123.2468 57.0642 30.3981 175.5495 68 E 3.8500 8.7373 125.3589 57.7295 30.3427 175.3887 *69 T 4.1630 8.2601 116.2696 61.1183 69.2274 170.5031 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 G 8.35 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 3 K 9.22 3.84 0.00 1.86 1.32 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.46 7.81 4 V 8.65 4.47 1.98 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 1.07 0.00 0.00 0.89 0.00 0.00 5 Y 8.75 5.01 0.00 2.85 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 6 K 8.30 4.53 0.00 1.41 0.74 0.00 1.56 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.21 1.28 7.81 7 K 8.58 5.09 0.00 1.67 1.72 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.42 7.81 8 V 8.84 4.47 2.21 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 0.98 0.00 0.00 1.18 0.00 0.00 9 E 8.79 5.00 0.00 2.04 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 2.23 2.35 0.00 10 L 9.20 4.87 0.00 1.54 1.50 0.89 0.56 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 11 V 8.31 4.71 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 0.86 0.00 0.00 0.94 0.00 0.00 12 G 8.99 4.62 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 13 T 8.04 5.78 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 14 S 8.25 4.66 0.00 3.89 3.86 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 0.00 0.00 0.00 15 E 9.09 4.44 0.00 2.03 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 2.48 2.34 0.00 16 E 8.51 4.20 0.00 1.96 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 2.27 0.00 17 G 7.15 3.41 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 0.00 0.00 0.00 0.00 18 L 7.34 3.68 0.00 1.53 1.60 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.01 3.89 0.00 1.99 1.95 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 2.38 2.41 0.00 20 A 7.85 3.92 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 21 A 7.90 4.07 1.41 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 0.00 0.00 0.00 22 I 7.57 3.46 1.85 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 1.36 0.54 0.34 0.00 0.00 23 Q 8.26 3.90 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 24 A 8.12 3.93 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 25 A 7.83 3.89 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.86 3.89 0.00 1.75 1.66 0.69 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.21 3.95 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 28 R 7.88 3.91 0.00 1.92 2.05 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 29 A 8.01 3.91 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 30 R 7.96 4.10 0.00 2.03 2.15 0.00 2.76 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.65 0.00 31 K 7.74 4.12 0.00 1.91 1.88 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.60 7.81 32 T 7.27 4.47 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 1.17 0.00 0.00 33 L 7.93 4.41 0.00 1.39 0.97 0.33 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.08 4.44 0.00 1.63 1.51 0.00 3.24 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 35 H 8.56 4.22 0.00 3.67 3.50 0.00 5.62 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.15 4.46 0.00 1.66 1.66 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.20 5.14 0.00 2.83 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 38 F 7.55 5.23 0.00 2.91 3.03 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 39 F 8.30 5.57 0.00 3.08 3.02 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 40 E 9.43 4.74 0.00 1.98 1.90 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 2.29 2.47 0.00 41 V 8.77 4.21 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 0.85 0.00 0.00 1.10 0.00 0.00 42 K 9.31 4.52 0.00 1.66 1.87 0.00 1.91 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.56 7.81 43 E 7.67 4.80 0.00 2.01 2.01 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 2.25 2.32 0.00 44 I 8.40 4.92 1.92 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 1.38 0.72 1.01 0.00 0.00 45 R 9.28 4.73 0.00 1.70 1.81 0.00 3.55 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 46 G 7.81 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 0.00 0.00 0.00 0.00 47 T 8.00 4.82 4.20 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 1.19 0.00 0.00 48 I 8.27 4.81 1.84 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 1.22 0.63 0.88 0.00 0.00 49 G 9.05 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.97 3.92 0.00 2.08 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 2.26 2.29 0.00 51 A 8.17 4.69 1.25 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 0.00 0.00 0.00 52 G 7.43 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 53 V 8.22 3.71 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.63 0.00 0.00 54 K 8.78 4.26 0.00 1.70 1.84 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.34 7.81 55 E 7.76 4.79 0.00 1.97 1.68 0.00 0.00 0.00 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 2.28 0.00 56 Y 9.04 4.64 0.00 3.08 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 57 Q 9.48 4.81 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 58 V 8.96 4.66 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 0.99 0.00 0.00 0.94 0.00 0.00 59 V 8.76 4.44 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 0.89 0.00 0.00 0.95 0.00 0.00 60 L 9.33 5.24 0.00 1.79 1.45 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.36 4.95 0.00 2.03 1.91 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 2.33 2.30 0.00 62 V 9.29 4.64 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 1.06 0.00 0.00 0.94 0.00 0.00 63 G 8.58 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.60 5.60 0.00 3.18 3.02 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 65 R 8.83 3.94 0.00 1.94 1.87 0.00 3.03 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.79 0.00 66 L 8.24 4.43 0.00 1.54 1.53 0.83 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.73 4.05 0.00 2.00 1.90 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 2.37 2.42 0.00 68 E 8.74 3.85 0.00 2.02 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 0.00 2.13 2.20 0.00 *69 T 8.26 4.16 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 * Residues marked with a * may have inaccurate shift predictions.