NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3536 8.2644 123.5910 51.7664 18.8750 175.2451 5 H 4.6852 8.0611 118.6802 54.8604 32.9129 171.7019 6 F 4.8281 8.0781 122.9921 57.0568 42.9348 172.7033 7 F 4.1920 7.0675 128.0226 56.0780 41.8850 173.8327 8 E 3.7708 7.4077 129.1195 54.9796 28.4090 176.0675 9 G 3.6778 8.1498 116.2902 48.0077 0.0000 173.0363 10 T 3.7945 7.7521 116.2945 64.1769 68.7686 173.5165 11 E 4.4769 8.5043 125.1208 54.9278 31.4092 175.4073 12 K 4.4626 8.3599 119.5061 54.6323 33.8032 175.5803 13 L 4.6373 8.4344 125.9260 52.8905 43.7911 175.0572 14 L 4.7255 8.3628 126.6862 53.0733 44.6821 174.9131 15 E 4.5993 8.7257 125.6093 54.2627 32.4333 174.5803 16 V 4.3875 8.1349 124.4600 60.7096 34.5773 174.1566 17 W 4.5867 8.6569 125.9527 54.9245 31.2417 175.4233 18 F 4.9857 8.7276 121.2959 56.4070 41.0030 174.5336 19 S 4.6264 8.2759 113.7397 58.4588 64.5470 173.1396 20 R 4.6231 8.3265 118.0867 55.9142 32.3284 174.0182 21 Q 4.2289 8.2415 122.4397 55.3312 30.9296 171.1235 22 Q 3.6891 7.9842 126.4115 54.5175 30.5949 171.9779 23 P 4.2724 0.0000 0.0000 65.4683 32.6889 177.2644 *27 Q 4.0473 8.2113 117.1269 52.9501 29.7974 175.6690 28 G 4.1917 9.0194 100.4643 45.3775 0.0000 174.0837 29 S 4.1165 8.5458 115.4763 59.5575 63.3867 175.4978 30 G 3.8271 9.1237 106.8936 45.3883 0.0000 172.4178 31 D 4.5733 7.9196 118.9924 52.3562 44.0497 176.1783 32 L 4.1229 8.7174 127.1569 57.6748 41.8546 179.1839 33 R 4.3666 8.2107 116.3305 58.2156 30.1534 177.9639 34 T 4.0210 7.8633 115.0178 66.1263 68.6296 175.4048 35 I 3.5423 7.3722 122.2176 60.6429 37.3666 174.4141 36 P 4.4760 0.0000 0.0000 62.0950 32.2982 177.4049 37 R 4.2172 8.7768 120.2533 59.9064 29.5867 178.9368 38 S 4.2002 8.1462 113.4115 61.5870 62.7965 176.1962 39 E 3.8958 7.8292 122.3161 58.7863 29.0934 179.1854 40 W 4.4267 7.6893 118.7264 59.7395 29.1304 178.1079 41 D 4.4590 8.2461 118.9755 57.4816 40.0329 179.0199 42 I 3.7641 7.2949 118.7149 64.1251 37.0792 177.8055 43 L 4.1239 7.8596 121.1307 58.3659 42.0210 179.1607 44 L 4.0880 8.5101 119.0465 57.3419 41.4049 179.3284 45 K 4.0259 7.8527 119.6740 59.4925 31.8348 178.5928 46 D 4.4263 7.6815 118.2587 57.0391 40.8488 178.2316 47 V 3.8945 7.5420 109.6653 61.1231 32.2703 175.5239 48 Q 3.6790 9.0442 116.5469 56.2760 25.7787 172.0291 49 C 4.9034 7.7476 111.0064 58.4294 33.3622 172.4082 50 S 4.6242 8.3792 112.1887 57.7000 66.4846 173.5780 51 I 4.7425 8.3385 121.5577 60.8680 37.3539 176.1933 52 I 4.4507 8.0818 119.2656 60.2567 38.7497 175.2359 53 S 4.6439 7.4432 115.2948 58.1688 65.5234 175.0097 54 V 4.6639 8.3116 123.7893 61.5680 34.5976 174.3373 55 T 4.6857 8.8152 123.6380 61.7272 72.3096 173.0989 56 K 5.0803 8.6045 123.8160 54.9828 36.2668 175.4657 57 T 4.6929 8.4612 112.3583 59.7840 71.8920 173.0449 58 D 4.4351 8.8626 119.6070 56.9612 41.1353 177.2039 59 K 4.5003 7.8681 114.7371 56.2973 33.7240 175.4534 60 Q 4.5511 7.8608 118.8612 54.5519 32.2248 172.5688 61 E 4.9440 8.6418 121.0139 54.5440 32.3278 174.9789 62 A 4.8007 8.9301 127.2050 50.4018 21.6318 174.9882 63 Y 4.9914 8.5257 118.5349 56.1421 41.4476 175.0757 64 V 4.2327 8.4188 123.9676 61.7187 33.2161 174.8993 65 L 5.2843 8.4712 126.6663 53.4027 44.9266 174.9587 66 S 4.5481 8.6834 113.8455 58.0673 66.7290 173.9830 67 E 4.1841 8.7852 121.1262 56.7013 28.7091 174.8186 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 A 8.26 4.35 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 5 H 8.06 4.69 0.00 3.14 3.21 0.00 5.96 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.08 4.83 0.00 2.95 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 7 F 7.07 4.19 0.00 2.71 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 8 E 7.41 3.77 0.00 1.77 1.46 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 2.20 2.21 0.00 9 G 8.15 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 10 T 7.75 3.79 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 1.20 0.00 0.00 11 E 8.50 4.48 0.00 1.92 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 0.00 2.25 2.48 0.00 12 K 8.36 4.46 0.00 1.70 1.71 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.36 7.81 13 L 8.43 4.64 0.00 1.55 1.53 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.36 4.73 0.00 1.56 1.46 0.92 0.87 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 15 E 8.73 4.60 0.00 1.91 1.80 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 2.28 2.16 0.00 16 V 8.13 4.39 1.84 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 0.21 0.00 0.00 0.85 0.00 0.00 17 W 8.66 4.59 0.00 3.18 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 18 F 8.73 4.99 0.00 3.07 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 19 S 8.28 4.63 0.00 4.00 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 20 R 8.33 4.62 0.00 1.78 1.81 0.00 3.22 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 21 Q 8.24 4.23 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 5.72 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 22 Q 7.98 3.69 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 23 P 0.00 4.27 0.00 2.22 2.17 0.00 3.85 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 *27 Q 8.21 4.05 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.80 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 28 G 9.02 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 29 S 8.55 4.12 0.00 3.98 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 30 G 9.12 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 31 D 7.92 4.57 0.00 2.63 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.72 4.12 0.00 1.83 1.88 1.10 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.21 4.37 0.00 2.01 2.18 0.00 3.35 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 34 T 7.86 4.02 4.28 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 0.00 0.00 0.00 1.18 0.00 0.00 35 I 7.37 3.54 1.73 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.47 -0.09 0.00 0.00 36 P 0.00 4.48 0.00 2.08 1.93 0.00 3.38 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 37 R 8.78 4.22 0.00 2.08 2.01 0.00 3.48 0.00 0.00 3.64 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.86 0.00 38 S 8.15 4.20 0.00 4.07 4.12 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 39 E 7.83 3.90 0.00 1.60 1.64 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 2.15 2.24 0.00 40 W 7.69 4.43 0.00 3.43 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 41 D 8.25 4.46 0.00 2.91 2.76 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 42 I 7.29 3.76 1.85 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 1.41 0.58 0.90 0.00 0.00 43 L 7.86 4.12 0.00 1.90 2.01 1.11 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.51 4.09 0.00 1.94 1.93 0.97 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.85 4.03 0.00 2.02 1.89 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 46 D 7.68 4.43 0.00 2.93 2.73 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 0.00 0.00 0.00 47 V 7.54 3.89 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 0.80 0.00 0.00 0.98 0.00 0.00 48 Q 9.04 3.68 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 49 C 7.75 4.90 0.00 3.24 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 50 S 8.38 4.62 0.00 3.89 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 51 I 8.34 4.74 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.58 1.12 0.00 0.00 52 I 8.08 4.45 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 1.33 0.66 0.92 0.00 0.00 53 S 7.44 4.64 0.00 3.86 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 54 V 8.31 4.66 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 0.38 0.00 0.00 0.86 0.00 0.00 55 T 8.82 4.69 4.14 0.00 0.00 0.00 0.00 0.00 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 56 K 8.60 5.08 0.00 1.52 1.60 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.17 1.24 7.81 57 T 8.46 4.69 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 1.18 0.00 0.00 58 D 8.86 4.44 0.00 2.64 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 59 K 7.87 4.50 0.00 1.76 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.40 7.81 60 Q 7.86 4.55 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 61 E 8.64 4.94 0.00 1.92 1.66 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 2.15 2.28 0.00 62 A 8.93 4.80 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.53 4.99 0.00 2.60 2.77 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 64 V 8.42 4.23 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 0.95 0.00 0.00 0.92 0.00 0.00 65 L 8.47 5.28 0.00 1.55 1.66 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.68 4.55 0.00 3.87 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.79 4.18 0.00 2.19 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 0.00 2.19 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.