NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.1042 8.4444 121.4704 55.2655 31.5088 174.2607 5 L 3.2839 7.8055 128.7964 52.8491 39.3747 172.7899 6 R 4.6766 8.6542 121.9014 54.5554 31.7017 176.6470 7 C 4.3863 8.6546 115.5888 57.5129 40.1133 174.5455 8 Q 3.8812 8.7248 122.2619 57.0625 28.6934 176.4567 9 C 4.8761 7.4351 116.3727 55.2327 41.3926 173.8425 10 I 3.7272 8.4250 126.7761 63.0946 37.0495 176.6357 11 K 4.7550 7.8043 117.2999 54.5741 35.4504 174.8139 12 T 4.8815 8.1151 109.4587 60.3063 71.2168 171.4866 13 Y 5.0885 8.5314 122.0456 56.6234 40.0962 176.6485 14 S 5.1354 8.5522 120.8057 58.7979 63.5739 174.4826 15 K 3.9014 7.0392 119.3957 55.0361 32.4126 174.9109 16 P 2.0000 0.0000 0.0000 61.2315 32.2843 175.0500 17 F 4.7363 6.8039 111.8291 55.7596 40.0872 173.4042 18 H 3.8953 8.7609 122.3734 55.5928 30.3708 173.6847 19 P 3.8118 0.0000 0.0000 65.3204 31.6147 178.3034 20 K 4.1303 7.2842 118.7490 58.9453 32.5910 177.4459 21 F 4.7500 7.9297 117.3720 60.5959 39.0709 175.0985 22 I 4.0781 7.9064 122.1474 61.7838 36.4488 176.6167 23 K 4.3703 9.1568 129.8226 58.6719 33.1223 175.7197 24 E 4.8612 7.8549 117.8201 54.7483 34.9305 173.9948 *26 R 4.3728 8.3607 115.5119 56.6009 30.7321 175.2924 27 V 4.3369 8.4545 117.0485 60.3353 33.0687 175.4760 28 I 4.4366 8.7709 125.2101 59.8824 38.7942 176.0081 29 E 4.4169 8.8309 124.8179 56.1010 30.5216 175.7045 30 S 4.9699 7.9304 113.2954 56.6012 66.3155 174.5589 31 G 4.0767 7.8681 108.8176 45.8631 0.0000 173.2966 32 P 4.2951 0.0000 0.0000 65.7705 32.2167 177.5491 33 H 4.2051 8.2236 114.4440 58.2436 28.6165 175.7056 34 C 4.7044 7.1724 119.3206 55.2350 46.0142 174.0541 35 A 3.9637 8.7001 131.2453 55.1136 18.3200 177.4615 36 N 4.6253 7.8220 112.0343 53.0637 39.4982 175.1360 37 T 4.3437 8.1757 118.8402 63.1037 69.9348 173.7410 38 E 4.7485 8.2246 124.1653 54.6728 33.6294 174.6922 39 I 4.5759 8.0794 126.0538 60.6658 39.8745 175.5444 40 I 4.3599 8.1146 125.0137 60.7488 39.6781 175.2169 41 V 4.3974 8.4886 120.6935 60.0921 34.4260 175.8111 42 K 5.2341 8.3759 120.0824 53.0411 34.5673 175.9231 43 L 4.3368 8.4600 124.8646 54.8776 42.2954 178.6692 44 S 4.1564 8.6177 116.3304 61.4325 62.4494 174.9825 45 D 4.5605 8.0402 117.4318 54.5502 40.3310 176.1087 46 G 3.7604 8.1859 107.0849 46.5380 0.0000 173.6084 47 R 4.6474 7.7694 118.1345 54.0566 33.6627 174.0244 48 E 4.9250 8.4845 122.5338 54.4665 32.5052 174.4753 49 L 4.6795 8.3286 126.7511 52.9692 45.3210 175.2488 50 C 4.9759 8.7689 121.3340 56.6498 39.0286 172.9598 51 L 5.1388 8.4166 122.7473 53.5698 44.1383 174.9503 52 D 5.0768 8.0655 120.6557 51.9379 42.4137 175.3384 53 P 4.2531 0.0000 0.0000 64.0670 31.7367 177.3284 54 K 3.9222 7.8422 120.1621 59.2630 30.9665 177.1095 55 E 4.3338 7.5844 118.3344 55.8738 31.8449 176.7075 56 N 4.7108 8.4923 116.0251 54.2092 39.0830 177.5744 57 W 4.3443 7.8419 118.3795 59.1420 28.6707 178.5935 58 V 2.5271 5.9477 118.7325 65.3001 31.0179 177.8679 59 Q 3.9163 7.2289 116.8674 58.9432 28.5056 178.5721 60 R 3.9768 7.7129 119.7881 58.9001 30.2426 178.9510 61 V 3.6191 8.5291 119.0117 66.0457 31.5059 178.3304 62 V 3.6678 7.9569 118.0852 65.8273 31.2901 178.0067 63 E 3.9645 8.0973 118.0787 59.3190 29.1708 179.1997 64 K 4.0449 8.3194 118.8607 59.2572 32.2760 178.3506 65 F 4.1445 8.2101 120.4207 60.9149 39.4646 176.8965 66 L 4.3529 8.2717 119.4551 56.9398 42.1834 176.6098 67 K 3.9924 8.2223 121.5342 57.3131 31.3411 175.3983 68 R 4.2297 7.6189 124.2858 55.6606 33.9985 173.7782 69 A 4.0282 8.6550 122.4997 53.3531 18.3298 176.5268 70 E 4.4292 8.7368 121.5050 57.7567 31.0981 175.9099 71 N 4.8466 7.5570 113.9522 53.0361 42.1541 174.1652 72 S 4.1253 8.6323 117.5956 59.1951 62.9310 171.8533 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 4 E 8.44 4.10 0.00 1.96 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 2.25 2.35 0.00 5 L 7.81 3.28 0.00 1.87 1.64 0.92 0.62 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 6 R 8.65 4.68 0.00 1.97 1.99 0.00 2.71 0.00 0.00 3.89 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 7 C 8.65 4.39 0.00 3.02 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 8 Q 8.72 3.88 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 9 C 7.44 4.88 0.00 3.05 3.24 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 10 I 8.42 3.73 1.88 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 1.42 0.47 0.92 0.00 0.00 11 K 7.80 4.75 0.00 1.72 1.72 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.39 7.81 12 T 8.12 4.88 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 1.37 0.00 0.00 13 Y 8.53 5.09 0.00 3.26 3.16 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 14 S 8.55 5.14 0.00 3.91 3.87 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 0.00 0.00 0.00 15 K 7.04 3.90 0.00 1.21 1.46 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.11 1.33 7.81 16 P 0.00 2.00 0.00 1.32 0.49 0.00 3.41 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 17 F 6.80 4.74 0.00 3.33 3.04 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 18 H 8.76 3.90 0.00 2.81 2.34 0.00 5.92 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 3.81 0.00 2.22 2.00 0.00 2.92 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 20 K 7.28 4.13 0.00 1.85 2.13 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.63 7.81 21 F 7.93 4.75 0.00 3.35 3.10 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 0.00 22 I 7.91 4.08 1.44 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.79 0.84 0.00 0.00 23 K 9.16 4.37 0.00 1.84 1.90 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.51 7.81 24 E 7.85 4.86 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 *26 R 8.36 4.37 0.00 1.94 2.16 0.00 2.98 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 27 V 8.45 4.34 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 0.81 0.00 0.00 0.95 0.00 0.00 28 I 8.77 4.44 1.97 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 1.30 1.18 0.93 0.00 0.00 29 E 8.83 4.42 0.00 2.10 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 2.27 2.31 0.00 30 S 7.93 4.97 0.00 3.95 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 31 G 7.87 4.08 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 0.00 0.00 0.00 32 P 0.00 4.30 0.00 2.20 2.19 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 33 H 8.22 4.21 0.00 3.44 3.65 0.00 5.48 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 7.17 4.70 0.00 3.15 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 35 A 8.70 3.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.82 4.63 0.00 2.72 2.74 0.00 0.00 6.90 7.53 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 37 T 8.18 4.34 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 1.25 0.00 0.00 38 E 8.22 4.75 0.00 1.98 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 0.00 2.20 2.32 0.00 39 I 8.08 4.58 2.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.83 0.93 0.00 0.00 40 I 8.11 4.36 2.06 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 1.24 0.43 0.94 0.00 0.00 41 V 8.49 4.40 2.16 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 1.01 0.00 0.00 1.16 0.00 0.00 42 K 8.38 5.23 0.00 1.83 1.72 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.23 7.81 43 L 8.46 4.34 0.00 1.55 1.60 0.70 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.62 4.16 0.00 4.14 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 45 D 8.04 4.56 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.19 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 0.00 0.00 0.00 47 R 7.77 4.65 0.00 1.85 1.66 0.00 3.11 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 48 E 8.48 4.92 0.00 1.93 1.73 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 2.28 2.30 0.00 49 L 8.33 4.68 0.00 1.22 1.14 0.60 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 50 C 8.77 4.98 0.00 2.91 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 51 L 8.42 5.14 0.00 1.68 1.43 1.17 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.07 5.08 0.00 2.84 2.74 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 53 P 0.00 4.25 0.00 2.14 2.07 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 54 K 7.84 3.92 0.00 1.87 1.84 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.40 7.81 55 E 7.58 4.33 0.00 1.56 1.76 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 2.60 2.45 0.00 56 N 8.49 4.71 0.00 2.83 2.88 0.00 0.00 6.57 7.67 0.00 0.00 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 W 7.84 4.34 0.00 3.56 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 5.95 2.53 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 0.74 0.00 0.00 -0.88 0.00 0.00 59 Q 7.23 3.92 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 60 R 7.71 3.98 0.00 2.09 2.04 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 61 V 8.53 3.62 2.23 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 0.78 0.00 0.00 1.12 0.00 0.00 62 V 7.96 3.67 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 0.98 0.00 0.00 0.89 0.00 0.00 63 E 8.10 3.96 0.00 2.31 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 0.00 2.32 2.35 0.00 64 K 8.32 4.04 0.00 1.89 1.88 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 65 F 8.21 4.14 0.00 3.19 3.11 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 66 L 8.27 4.35 0.00 1.77 1.71 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.22 3.99 0.00 1.85 1.74 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.55 7.81 68 R 7.62 4.23 0.00 1.64 1.70 0.00 3.05 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.40 0.00 69 A 8.66 4.03 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 70 E 8.74 4.43 0.00 1.94 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 2.21 2.35 0.00 71 N 7.56 4.85 0.00 2.60 2.61 0.00 0.00 6.99 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.63 4.13 0.00 4.06 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 * Residues marked with a * may have inaccurate shift predictions.