NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.4919 8.2893 118.7944 53.8343 33.3961 175.1244 2 E 4.1325 8.3492 114.3181 57.4179 31.5645 174.7729 *3 E 3.9396 9.2570 121.7644 61.7459 30.0553 181.7862 4 A 4.1572 7.9146 121.0003 54.9144 18.5315 179.6894 5 K 3.9444 7.8903 116.4406 59.2190 32.2897 179.2026 6 Q 4.1361 8.3194 122.5296 59.2860 28.8077 178.8835 *7 K 3.9751 8.1023 125.0069 59.7599 31.6372 182.6012 8 V 4.0952 7.5869 119.2814 65.9979 31.4616 178.3482 9 V 3.7148 7.8066 117.5026 66.1241 31.1345 177.7560 10 D 4.4244 8.2276 117.9776 57.2412 40.7100 178.2171 11 F 4.2937 7.9774 120.2071 61.3272 39.5052 176.9541 12 L 4.0533 7.7315 117.6292 56.6933 42.8358 178.0169 13 N 4.7663 7.8904 118.6687 52.0161 35.7755 172.5776 14 S 4.6812 7.2409 119.4042 57.6117 68.0468 175.1745 *15 K 4.2302 8.1555 121.6216 54.2007 31.1836 176.0026 *18 S 4.2932 7.7961 115.1615 58.5045 62.6026 172.7657 19 K 4.3358 8.2898 129.7098 55.5704 34.8517 177.4029 *20 S 4.3283 8.3922 114.4696 60.4074 62.2891 171.1155 21 K 5.2665 7.2133 117.5946 54.9265 35.4758 175.6763 22 F 4.8149 9.3032 119.6799 55.6861 43.4848 174.1569 23 Y 4.9928 9.0618 118.3675 57.8271 38.6557 176.7569 24 F 4.6767 9.4836 123.6422 62.1900 39.4512 177.3930 25 N 4.6880 8.4384 116.0183 55.0336 38.2586 176.8388 26 D 4.5081 8.1579 120.1602 56.8964 41.2281 178.1707 27 F 4.2944 7.8867 118.2939 60.3536 39.3471 177.8790 28 T 3.9874 7.5728 109.2246 64.5700 68.2398 176.4094 29 D 4.3348 7.6048 121.0858 57.1733 40.8618 178.1906 30 L 3.8823 7.3531 118.1809 55.5505 42.9949 177.3634 31 F 4.8194 7.1868 117.3245 54.6948 38.6759 173.9664 32 P 4.3715 0.0000 0.0000 65.9504 31.9945 179.3892 *33 D 4.4565 8.2677 119.8429 56.6210 40.0869 181.7961 *34 M 4.3510 7.5835 117.6567 54.4709 32.2402 179.6626 *35 K 4.3848 8.2989 124.7900 56.5253 34.1589 179.1189 36 Q 4.3483 8.6674 120.0396 59.4447 28.7444 179.6403 37 R 4.0155 8.0063 118.6384 59.2539 30.1928 178.5488 38 E 3.9811 8.0423 118.6891 58.9997 29.8057 178.8337 39 V 3.4523 7.9660 118.6407 65.6002 31.5863 177.9872 40 K 4.3635 8.6102 122.0833 59.8534 32.0186 179.6229 *41 K 3.9982 8.0914 124.3748 59.8433 31.6265 181.6238 42 I 3.8907 7.6012 114.7893 63.6873 37.6217 178.3360 43 L 3.7058 7.6933 120.5330 57.6879 41.3290 179.5947 44 T 3.9844 8.0840 115.6388 66.3596 68.3596 176.8051 45 A 3.9873 7.9609 122.8614 55.1593 18.4272 179.7414 46 L 3.9938 8.1362 117.6117 57.7370 41.7178 179.9162 47 V 4.0098 7.6051 119.5126 65.3647 31.2425 177.8957 48 N 4.3950 8.0327 115.6188 55.8876 38.4450 176.1365 49 D 4.6472 7.9075 117.4738 53.5487 41.1043 176.4220 50 E 3.8406 7.7027 117.4004 57.3666 27.8685 175.7319 51 V 3.8929 7.9554 122.1529 65.1051 32.3064 175.8926 52 L 5.5510 8.0067 118.8148 52.7721 45.4143 175.2750 53 E 4.6583 9.5520 119.6489 54.9542 32.1728 173.9509 54 Y 4.8230 8.2301 122.9119 55.6824 41.0049 174.6360 55 W 4.7653 8.2718 125.6350 54.7596 33.3263 174.0936 56 S 4.6850 8.6009 119.0743 57.1413 63.1214 173.2768 57 S 4.5039 8.8763 122.0075 57.2192 65.3457 173.6082 58 G 3.7917 8.3854 118.8722 47.2856 0.0000 174.3791 59 S 4.5716 8.8507 119.2952 58.2777 63.8716 173.3730 60 T 4.7927 8.0764 117.1915 61.0173 69.8890 171.8752 61 T 5.1351 8.6708 110.5372 61.0299 72.7555 173.3559 *62 M 5.1626 9.1908 122.5729 53.7133 35.7834 175.0804 63 Y 5.5912 9.6078 119.2673 56.3676 42.7304 174.6776 64 G 5.0093 9.0018 107.4325 45.8648 0.0000 172.5021 65 L 4.4784 8.7990 120.5706 54.7199 42.7932 176.7610 66 K 3.9652 8.5707 125.2726 58.6266 31.8678 175.9521 67 G 4.1010 9.5843 115.2469 45.7423 0.0000 173.0203 68 A 4.2046 8.1456 126.7230 52.4595 18.2965 176.9833 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 *1 M 8.29 4.49 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 E 8.35 4.13 0.00 2.25 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 2.33 2.40 0.00 *3 E 9.26 3.94 0.00 1.99 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 2.32 1.98 0.00 4 A 7.91 4.16 1.19 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 0.00 0.00 5 K 7.89 3.94 0.00 1.92 1.83 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.42 7.81 6 Q 8.32 4.14 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 *7 K 8.10 3.98 0.00 1.84 1.80 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.32 7.81 8 V 7.59 4.10 2.28 0.00 0.00 0.00 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 0.99 0.00 0.00 9 V 7.81 3.71 2.26 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 1.12 0.00 0.00 1.08 0.00 0.00 10 D 8.23 4.42 0.00 2.93 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.98 4.29 0.00 2.89 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 12 L 7.73 4.05 0.00 1.75 1.87 1.27 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.89 4.77 0.00 2.83 2.81 0.00 0.00 6.98 7.80 0.00 0.00 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 7.24 4.68 0.00 3.65 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 *15 K 8.16 4.23 0.00 1.77 1.65 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 0.98 7.81 *18 S 7.80 4.29 0.00 3.74 4.04 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 19 K 8.29 4.34 0.00 1.62 1.63 0.00 1.28 0.00 0.00 1.51 0.00 0.00 2.78 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.75 0.61 7.81 *20 S 8.39 4.33 0.00 3.68 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 21 K 7.21 5.27 0.00 1.55 1.62 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.31 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.87 0.99 7.81 22 F 9.30 4.81 0.00 2.95 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 9.06 4.99 0.00 3.24 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 24 F 9.48 4.68 0.00 3.62 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.44 4.69 0.00 2.94 2.88 0.00 0.00 7.64 8.08 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 26 D 8.16 4.51 0.00 2.70 2.41 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 27 F 7.89 4.29 0.00 3.17 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 28 T 7.57 3.99 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 0.72 0.00 0.00 29 D 7.60 4.33 0.00 2.65 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 30 L 7.35 3.88 0.00 1.15 0.78 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.19 4.82 0.00 3.19 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 4.37 0.00 2.16 2.15 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 *33 D 8.27 4.46 0.00 2.72 2.62 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 *34 M 7.58 4.35 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.35 0.00 *35 K 8.30 4.38 0.00 1.76 1.71 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.09 7.81 36 Q 8.67 4.35 0.00 2.21 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 37 R 8.01 4.02 0.00 1.88 2.00 0.00 3.14 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 38 E 8.04 3.98 0.00 2.06 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 0.00 2.32 2.33 0.00 39 V 7.97 3.45 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.90 0.00 0.00 40 K 8.61 4.36 0.00 2.03 2.02 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.36 1.49 7.81 *41 K 8.09 4.00 0.00 1.82 1.80 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.32 7.81 42 I 7.60 3.89 1.71 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.15 0.88 0.00 0.00 43 L 7.69 3.71 0.00 1.53 0.92 0.17 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.08 3.98 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 1.15 0.00 0.00 45 A 7.96 3.99 1.35 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 0.00 0.00 46 L 8.14 3.99 0.00 1.80 1.73 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.61 4.01 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.30 0.00 0.00 48 N 8.03 4.40 0.00 2.91 2.84 0.00 0.00 7.05 7.38 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 49 D 7.91 4.65 0.00 2.66 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 3.84 0.00 2.17 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 0.00 2.23 2.22 0.00 51 V 7.96 3.89 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 0.93 0.00 0.00 0.95 0.00 0.00 52 L 8.01 5.55 0.00 1.76 1.74 0.90 0.99 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 53 E 9.55 4.66 0.00 1.70 2.02 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 2.62 2.59 0.00 54 Y 8.23 4.82 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.27 4.77 0.00 2.98 2.87 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 56 S 8.60 4.69 0.00 3.86 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.88 4.50 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 58 G 8.39 3.79 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 0.00 0.00 0.00 59 S 8.85 4.57 0.00 4.00 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 60 T 8.08 4.79 4.32 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 1.36 0.00 0.00 61 T 8.67 5.14 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 1.31 0.00 0.00 *62 M 9.19 5.16 0.00 1.59 1.90 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 63 Y 9.61 5.59 0.00 3.30 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 64 G 9.00 5.01 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 0.00 65 L 8.80 4.48 0.00 1.73 1.72 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.57 3.97 0.00 2.02 1.80 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.49 7.81 67 G 9.58 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 0.00 0.00 0.00 68 A 8.15 4.20 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 * Residues marked with a * may have inaccurate shift predictions.