NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.5028 8.3349 115.4140 57.6958 65.2260 173.6958 7 L 4.3854 7.7649 120.1072 55.7679 43.4162 176.4453 8 Q 3.9329 8.8621 120.2632 59.5345 29.1856 178.0973 9 D 4.4192 8.0453 118.9182 57.1315 41.0489 176.9492 10 P 4.2945 0.0000 0.0000 65.2787 31.1933 178.5789 11 F 3.9811 8.3647 119.6686 61.3031 39.3996 177.3095 12 L 3.7911 8.1400 118.9027 57.6955 41.1877 179.2655 13 N 4.5335 8.5274 116.5913 56.2426 38.4146 177.2523 14 A 3.9255 7.8898 122.1205 55.1410 18.4784 179.6709 15 L 3.7726 7.3769 117.5308 57.7655 41.6537 179.8084 16 R 4.0578 7.9594 119.8157 58.9386 29.9240 178.2098 17 R 3.8928 8.3091 117.4088 59.5648 30.1681 177.4875 18 E 4.2563 8.3034 114.6261 55.3805 30.2035 176.2958 19 R 3.7103 7.7617 117.3739 56.9359 28.4482 176.7890 20 V 3.7960 7.6570 117.0296 62.0670 32.3819 174.3170 21 P 4.6077 0.0000 0.0000 63.0221 32.5774 175.7299 22 V 4.9775 8.9747 115.9902 59.8556 36.8547 174.3270 23 S 5.0218 8.8942 117.7944 56.9015 65.7224 173.3575 24 I 4.7282 8.8887 126.6407 59.8618 39.0896 174.3162 25 Y 4.7972 9.1902 126.2954 57.0839 39.5702 175.5912 26 L 4.9952 8.9230 124.2327 53.4295 43.8030 178.2992 27 V 3.8017 8.9320 114.4301 63.5248 31.4840 177.1795 28 N 4.6099 7.9756 115.8304 52.5472 37.9598 174.9276 29 G 4.1941 8.2837 107.3453 45.7635 0.0000 174.6860 30 I 3.7671 8.3176 120.8117 61.8326 38.2830 175.1004 31 K 4.5403 8.5988 127.3272 54.6264 33.7176 174.9915 32 L 4.7808 8.6525 127.8297 53.3186 44.2937 175.6548 33 Q 5.4808 8.7462 119.3636 52.6007 32.9072 176.3208 34 G 3.8330 7.4473 107.0689 46.0222 0.0000 170.4946 35 Q 4.9350 7.5604 118.3225 53.8799 31.7302 175.4741 36 I 4.1911 8.2009 123.7767 61.6114 37.6384 176.2629 37 E 4.1582 9.3641 130.1932 58.6818 30.3200 176.1710 38 S 4.8250 7.8310 111.5571 58.4246 66.0157 173.9724 39 F 5.1550 7.9221 113.4544 56.2453 39.9981 173.1851 40 D 4.6401 8.4304 120.3730 52.3827 41.5871 175.1353 41 Q 3.9533 8.7264 116.2804 58.4621 28.9648 177.0199 42 F 4.9459 8.8694 115.5776 57.3684 41.6350 174.9547 43 V 5.0445 7.9083 111.7524 59.5731 36.5764 174.3801 44 I 5.0668 8.7825 122.1019 59.6840 40.9159 174.8050 45 L 4.8614 9.2096 127.4801 53.5295 43.2075 175.1586 46 L 5.0278 8.7608 127.0990 53.2176 44.2896 174.8776 47 K 5.0805 8.7257 127.4946 53.9688 34.9514 173.2029 48 N 4.5996 8.3829 128.9808 53.5113 45.3828 175.5056 49 T 3.9947 8.5265 110.4826 66.0017 68.2430 174.0003 50 V 4.4897 7.3893 112.0360 59.1319 35.2350 174.3985 51 S 4.8640 8.4956 117.5760 58.1311 63.3227 173.9974 52 Q 4.6733 9.2687 123.6597 54.5390 31.6012 174.4080 53 M 4.6460 8.5120 121.2143 54.3606 33.3883 174.9693 54 V 4.2755 8.5210 127.7316 61.3977 33.7644 174.5598 55 Y 4.4162 8.5250 125.9536 57.1957 38.6383 176.5174 56 K 3.9476 9.0189 125.6703 59.7552 32.3793 178.9414 57 H 4.2854 8.2905 112.5902 57.6392 28.7239 175.6240 58 A 4.5749 8.1774 122.3022 52.0372 19.5167 176.2988 59 I 4.6714 7.6061 117.9296 60.4285 38.4187 175.5383 60 S 4.6439 9.3967 120.6034 60.2594 64.3285 174.4005 61 T 4.6629 7.7526 113.8290 60.0806 70.9735 172.2054 62 V 4.8254 8.4463 127.0716 61.3485 33.5856 174.8791 63 V 4.4498 8.7352 129.5012 60.4974 32.5253 173.3178 64 P 4.8828 0.0000 0.0000 62.5263 32.2162 177.6284 65 S 4.3749 8.8246 117.1259 60.0783 63.4639 174.1246 66 R 4.5856 7.4524 115.8525 54.2163 32.1080 172.9205 67 P 4.2193 0.0000 0.0000 63.2484 31.7554 176.1423 68 V 4.0950 8.1500 123.4886 61.6798 33.8418 176.0161 *69 S 4.2830 8.7220 122.4267 58.4021 62.8314 169.8957 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 6 S 8.33 4.50 0.00 4.01 4.05 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 7 L 7.76 4.39 0.00 1.77 1.64 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.86 3.93 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 9 D 8.05 4.42 0.00 2.89 2.85 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 10 P 0.00 4.29 0.00 2.21 2.14 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.18 0.00 11 F 8.36 3.98 0.00 3.13 3.12 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 12 L 8.14 3.79 0.00 0.63 0.46 0.27 0.90 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 13 N 8.53 4.53 0.00 2.96 2.94 0.00 0.00 6.90 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 14 A 7.89 3.93 1.23 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 0.00 0.00 0.00 15 L 7.38 3.77 0.00 1.68 1.61 0.72 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.96 4.06 0.00 2.09 2.16 0.00 3.31 0.00 0.00 3.35 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 17 R 8.31 3.89 0.00 1.83 2.20 0.00 3.30 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 18 E 8.30 4.26 0.00 1.94 1.93 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 2.47 2.43 0.00 19 R 7.76 3.71 0.00 1.91 1.96 0.00 3.16 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 20 V 7.66 3.80 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 0.68 0.00 0.00 0.87 0.00 0.00 21 P 0.00 4.61 0.00 2.10 1.94 0.00 3.57 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 22 V 8.97 4.98 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 0.78 0.00 0.00 1.01 0.00 0.00 23 S 8.89 5.02 0.00 3.77 3.38 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 0.00 24 I 8.89 4.73 1.82 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 1.24 0.76 0.92 0.00 0.00 25 Y 9.19 4.80 0.00 2.88 2.90 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 0.00 0.00 0.00 26 L 8.92 5.00 0.00 1.82 1.70 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.93 3.80 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 0.75 0.00 0.00 0.99 0.00 0.00 28 N 7.98 4.61 0.00 2.83 2.95 0.00 0.00 6.32 7.00 0.00 0.00 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 G 8.28 4.19 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 0.00 30 I 8.32 3.77 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.73 0.90 0.00 0.00 31 K 8.60 4.54 0.00 1.21 1.55 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.08 0.78 7.81 32 L 8.65 4.78 0.00 1.53 1.49 0.91 0.55 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 33 Q 8.75 5.48 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 34 G 7.45 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.56 4.94 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 36 I 8.20 4.19 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.08 1.00 0.00 0.00 37 E 9.36 4.16 0.00 1.96 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 0.00 2.31 2.26 0.00 38 S 7.83 4.82 0.00 3.80 3.89 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 39 F 7.92 5.15 0.00 3.24 3.01 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 40 D 8.43 4.64 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 41 Q 8.73 3.95 0.00 1.21 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.90 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 42 F 8.87 4.95 0.00 3.11 3.17 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 0.00 0.00 0.00 0.00 43 V 7.91 5.04 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 0.35 0.00 0.00 0.94 0.00 0.00 44 I 8.78 5.07 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 1.27 0.91 0.94 0.00 0.00 45 L 9.21 4.86 0.00 1.56 1.60 0.91 0.32 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 46 L 8.76 5.03 0.00 1.75 1.50 0.87 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.73 5.08 0.00 1.88 1.61 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.39 7.81 48 N 8.38 4.60 0.00 2.62 1.78 0.00 0.00 7.19 7.55 0.00 0.00 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 8.53 3.99 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 50 V 7.39 4.49 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 0.82 0.00 0.00 0.93 0.00 0.00 51 S 8.50 4.86 0.00 3.75 3.80 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 0.00 0.00 0.00 0.00 52 Q 9.27 4.67 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 53 M 8.51 4.65 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.07 0.00 54 V 8.52 4.28 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 0.95 0.00 0.00 0.92 0.00 0.00 55 Y 8.52 4.42 0.00 2.97 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 9.02 3.95 0.00 1.99 1.92 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.49 1.53 7.81 57 H 8.29 4.29 0.00 3.29 3.55 0.00 5.53 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 58 A 8.18 4.57 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 59 I 7.61 4.67 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.82 0.97 0.00 0.00 60 S 9.40 4.64 0.00 3.84 4.01 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 61 T 7.75 4.66 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 62 V 8.45 4.83 2.20 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 0.97 0.00 0.00 0.97 0.00 0.00 63 V 8.74 4.45 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 1.01 0.00 0.00 1.11 0.00 0.00 64 P 0.00 4.88 0.00 2.25 1.89 0.00 3.79 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 65 S 8.82 4.37 0.00 3.89 4.02 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 66 R 7.45 4.59 0.00 2.09 1.89 0.00 3.08 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 67 P 0.00 4.22 0.00 2.06 2.06 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 68 V 8.15 4.10 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 0.66 0.00 0.00 0.87 0.00 0.00 *69 S 8.72 4.28 0.00 3.64 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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.