NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4915 8.3349 115.3061 57.5742 63.8359 173.2255 8 D 4.6150 8.5458 124.6060 53.3859 41.7571 174.7395 9 F 5.4500 8.4085 115.8647 55.3955 42.0951 173.2855 10 V 4.5665 8.9247 118.8443 61.0673 35.0295 174.2626 11 V 4.7910 8.7673 126.8450 61.3904 33.6979 174.1486 12 I 4.8933 8.9330 129.7560 59.4122 39.8093 174.4728 13 K 4.9683 9.1514 129.2394 54.2482 34.3258 175.1303 14 A 4.3479 8.8115 130.5649 52.2547 19.1475 177.3504 15 L 4.7479 8.8638 121.9101 54.3848 42.6837 175.9173 16 E 4.7477 7.7908 115.8517 54.2588 32.8528 174.6051 17 D 4.4681 8.4319 119.2230 55.5721 41.3472 176.6810 18 G 3.8215 8.4580 109.7552 46.1561 0.0000 173.8619 19 V 3.8299 7.6267 120.0657 62.8861 32.8748 174.4072 20 N 5.2172 9.1337 125.6288 51.6247 40.8958 173.8910 21 V 4.4962 8.8466 125.4240 61.6487 33.2348 174.5177 22 I 4.6320 8.7962 130.4204 59.4917 39.4766 175.0403 23 G 4.2708 9.1881 115.6740 45.0431 0.0000 172.2547 24 L 5.5455 8.8184 125.0127 52.6253 44.7912 176.1073 25 T 4.5810 8.8134 114.3738 61.6859 69.2789 174.1987 26 R 4.5261 8.0324 127.3226 55.6128 30.7661 176.9359 27 G 3.8457 8.6808 112.0368 44.1088 0.0000 172.1777 28 A 4.0932 8.3813 122.4581 54.7280 18.5824 178.0668 29 D 4.7783 7.8025 113.9184 53.4035 42.3655 176.0794 30 T 4.7433 8.3376 118.9379 61.9660 70.7753 173.3165 31 R 4.8976 8.8757 122.5853 54.2210 33.7494 174.0926 32 F 5.1448 8.7883 115.6500 57.1840 38.2060 174.9160 33 H 4.8241 8.8132 117.8999 56.4059 30.2745 174.3840 34 H 4.9819 7.9809 117.9832 55.0320 33.3799 171.8837 35 S 4.9104 8.4144 119.3170 56.4300 64.8932 172.2568 36 E 4.5205 9.2555 129.1816 54.5278 31.0875 174.5496 37 K 4.7803 8.6194 128.7265 55.8350 33.6661 175.5586 38 L 4.9623 9.0913 126.9935 53.1370 44.7639 175.9938 39 D 4.9857 9.1561 123.4902 52.4904 43.1839 175.9593 40 K 3.8930 8.7755 121.7606 58.6256 32.3015 177.2215 41 G 4.0012 9.2237 115.1543 45.2745 0.0000 173.4071 42 E 4.3544 8.1867 119.7903 56.0401 30.9994 175.8754 43 V 4.9849 8.2650 121.4159 61.0212 34.6059 174.2653 44 L 4.7766 9.0100 129.2153 53.2647 44.9343 174.7832 45 I 5.0471 8.5008 126.4344 59.5726 39.2255 174.7859 46 A 4.7049 9.0545 128.9231 50.1977 22.0568 175.1559 47 Q 4.8686 8.6169 120.7847 54.7428 30.6088 175.7562 48 F 4.6656 8.5812 120.6460 58.0783 38.6228 175.1103 49 T 4.6654 8.6883 111.0666 60.4031 71.7720 173.9928 50 E 4.1695 8.8846 121.2173 59.0742 29.7404 177.0778 51 H 4.6718 7.8388 114.1231 55.8100 30.2686 173.9460 52 T 5.3239 8.2388 116.9194 61.8768 71.2422 174.3975 53 S 5.0357 9.0204 119.7096 57.9956 64.8647 173.4489 54 A 5.2063 7.9406 121.5455 51.2106 22.5344 175.2311 55 I 4.9891 8.6431 121.6785 59.3200 40.5785 174.7126 56 K 4.5856 9.2117 128.3360 54.5085 34.8243 174.6509 57 V 4.7405 8.4030 126.7503 61.1672 33.4684 174.3117 58 R 4.4275 8.5670 129.0230 55.6123 31.8762 174.8716 59 G 4.3031 9.0045 112.7200 43.3810 0.0000 172.7479 60 K 4.2735 10.3284 123.0146 56.1814 33.0734 175.7082 61 A 5.0464 8.3956 127.4592 50.9498 22.5450 174.3670 62 Y 4.5216 9.0237 122.8255 56.5145 40.7531 174.4416 63 I 5.0399 7.7281 126.3652 59.5755 41.2028 174.0496 64 Q 4.9244 9.1747 126.3179 55.4443 31.6527 173.2690 65 T 4.2464 9.1447 110.9308 62.5635 70.1328 175.6677 *67 H 4.6496 9.7484 118.6400 53.9229 31.4622 171.3295 68 G 3.7112 7.3656 105.2800 43.8063 0.0000 174.7698 69 V 4.4671 8.0652 117.9609 61.1406 31.7116 175.8342 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 S 8.33 4.49 0.00 3.92 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 8 D 8.55 4.62 0.00 2.89 2.82 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 9 F 8.41 5.45 0.00 3.07 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 10 V 8.92 4.57 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 1.05 0.00 0.00 0.89 0.00 0.00 11 V 8.77 4.79 2.19 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 1.13 0.00 0.00 1.21 0.00 0.00 12 I 8.93 4.89 1.88 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 1.10 0.55 0.92 0.00 0.00 13 K 9.15 4.97 0.00 1.87 1.80 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.37 7.81 14 A 8.81 4.35 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 15 L 8.86 4.75 0.00 1.54 1.70 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.79 4.75 0.00 2.00 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 2.17 2.31 0.00 17 D 8.43 4.47 0.00 2.69 2.63 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 0.00 0.00 0.00 0.00 18 G 8.46 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 19 V 7.63 3.83 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 0.80 0.00 0.00 1.00 0.00 0.00 20 N 9.13 5.22 0.00 2.63 2.56 0.00 0.00 6.26 8.03 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 21 V 8.85 4.50 2.06 0.00 0.00 0.00 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 0.91 0.00 0.00 22 I 8.80 4.63 1.86 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.37 0.69 0.00 0.00 23 G 9.19 4.27 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 0.00 24 L 8.82 5.55 0.00 1.66 1.64 0.98 0.69 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 25 T 8.81 4.58 4.30 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 1.33 0.00 0.00 26 R 8.03 4.53 0.00 1.90 1.99 0.00 3.25 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.68 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.38 4.09 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 29 D 7.80 4.78 0.00 2.68 2.60 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 30 T 8.34 4.74 4.27 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 1.26 0.00 0.00 31 R 8.88 4.90 0.00 1.79 1.96 0.00 2.67 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 32 F 8.79 5.14 0.00 3.05 3.07 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 0.00 0.00 0.00 0.00 33 H 8.81 4.82 0.00 3.20 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.98 4.98 0.00 3.38 3.16 0.00 5.80 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 35 S 8.41 4.91 0.00 3.29 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.26 4.52 0.00 2.18 1.81 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 2.25 2.29 0.00 37 K 8.62 4.78 0.00 1.78 1.67 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.57 7.81 38 L 9.09 4.96 0.00 1.54 1.51 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.16 4.99 0.00 2.59 2.57 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 0.00 0.00 0.00 0.00 40 K 8.78 3.89 0.00 1.81 1.75 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.56 7.81 41 G 9.22 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.19 4.35 0.00 2.02 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 2.32 2.36 0.00 43 V 8.26 4.98 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 44 L 9.01 4.78 0.00 1.75 1.46 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.50 5.05 1.77 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 1.27 0.68 0.77 0.00 0.00 46 A 9.05 4.70 1.12 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 0.00 0.00 47 Q 8.62 4.87 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 48 F 8.58 4.67 0.00 3.01 2.99 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 49 T 8.69 4.67 4.30 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 1.27 0.00 0.00 50 E 8.88 4.17 0.00 1.94 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 2.09 2.28 0.00 51 H 7.84 4.67 0.00 3.36 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.24 5.32 4.34 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 1.33 0.00 0.00 53 S 9.02 5.04 0.00 3.91 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 0.00 54 A 7.94 5.21 1.31 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 0.00 0.00 55 I 8.64 4.99 1.83 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.63 0.86 0.00 0.00 56 K 9.21 4.59 0.00 1.77 1.59 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.34 7.81 57 V 8.40 4.74 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.91 0.00 0.00 58 R 8.57 4.43 0.00 1.87 1.69 0.00 3.08 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 59 G 9.00 4.30 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 0.00 60 K 10.33 4.27 0.00 1.72 1.71 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.40 5.05 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 62 Y 9.02 4.52 0.00 3.09 2.84 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 63 I 7.73 5.04 1.76 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 1.32 0.96 0.85 0.00 0.00 64 Q 9.17 4.92 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.49 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 65 T 9.14 4.25 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 1.17 0.00 0.00 *67 H 9.75 4.65 0.00 3.16 3.38 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.37 3.71 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 0.00 0.00 0.00 69 V 8.07 4.47 1.86 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 0.93 0.00 0.00 0.29 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.