NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3330 8.2644 123.5927 51.6568 20.7562 176.9224 5 H 4.1610 8.1695 115.5180 55.9351 30.2503 172.9123 6 F 4.7534 8.3688 125.7765 57.2246 43.0591 172.5790 7 F 4.3772 6.7035 126.9309 56.4112 42.1772 173.3674 8 E 3.9416 7.2217 128.4560 54.2066 29.4096 175.6632 9 G 3.5271 8.2173 116.6763 48.3490 0.0000 173.0617 10 T 3.7008 7.8100 116.3362 63.9682 68.4869 173.8260 11 E 4.3498 8.5533 126.0303 55.9136 30.6182 176.3987 12 K 4.1658 8.2468 117.2119 55.7604 33.9417 177.5153 13 L 3.2712 7.6280 113.8143 55.9312 40.1344 173.0555 14 L 4.7008 8.2918 128.5787 53.0026 44.4878 174.9653 15 E 4.5112 8.7271 125.5870 54.3030 32.1013 174.4827 16 V 4.3031 8.2003 125.0666 60.6361 34.2498 174.1856 17 W 4.5315 8.6980 126.5264 54.9771 30.6433 175.8045 18 F 4.8766 8.7205 122.4215 56.7058 40.1079 174.9033 19 S 4.7038 8.2533 114.7268 57.1962 65.2864 174.0705 20 R 4.2039 8.3502 122.6007 55.7329 31.5159 176.2600 *28 G 3.7319 8.0275 106.9482 47.6055 0.0000 170.8372 29 S 4.0517 8.3727 117.0411 54.9602 62.0880 170.0116 30 G 3.9116 8.2814 107.4393 46.0261 0.0000 172.5033 31 D 4.6454 8.2233 119.1034 52.2069 44.3195 176.0660 32 L 4.0875 8.8020 126.9237 58.0272 41.8455 179.0127 33 R 4.3750 8.2152 115.1616 57.8335 29.9555 177.7354 34 T 4.0315 7.7036 115.1761 65.9517 68.6960 174.9675 35 I 3.4766 7.5802 122.3032 60.7052 37.4069 174.2624 36 P 4.3847 0.0000 0.0000 62.3203 32.0772 177.4250 37 R 4.1733 8.8196 120.8171 59.9544 29.9291 178.8685 38 S 4.1287 8.1520 114.3121 61.8426 62.7336 176.5238 39 E 3.8005 7.8535 120.4571 59.1553 29.1142 179.4034 40 W 4.4733 7.6585 118.3927 59.9472 29.1362 178.0326 41 D 4.4315 8.4493 118.8861 57.4439 40.2901 179.0225 42 I 3.6849 7.6771 119.9441 64.3182 36.9490 178.0732 43 L 3.9794 7.9020 119.9137 58.4712 42.0722 178.8252 44 L 4.2024 8.2833 118.6687 57.3240 41.3465 179.3063 45 K 4.0354 7.9911 119.2377 59.3324 32.2467 178.2201 46 D 4.6050 8.1918 117.6274 55.6601 40.8805 176.9928 47 V 4.3967 6.6804 113.3577 65.7927 32.5662 178.5288 48 Q 3.3791 6.6195 117.4575 52.5973 24.6258 175.5016 49 C 4.9896 7.4928 116.6316 59.1832 34.7428 172.3116 50 S 4.6479 8.5108 118.8145 57.5003 66.4544 172.5671 51 I 4.7877 8.3123 124.0117 60.2351 37.5894 175.9282 52 I 4.3991 8.2319 120.0282 60.2827 38.5726 175.5047 53 S 4.7504 7.3733 114.8434 57.8900 65.4491 175.1497 54 V 4.6633 8.4396 124.9990 60.2609 34.2854 174.7390 55 T 4.6470 8.5670 120.0177 61.6475 72.4656 173.0179 56 K 4.9682 8.6193 123.8939 54.9900 35.7090 175.3364 57 T 4.7087 8.8214 119.3015 61.3891 72.4826 174.9445 58 D 4.3462 8.8066 121.4694 57.8326 40.7689 178.7781 59 K 4.1753 7.9972 116.5283 58.8133 32.6640 176.5029 60 Q 4.5443 7.4747 114.9480 55.2705 31.5026 172.2816 61 E 5.0082 8.6134 117.3331 54.4459 32.0071 175.4698 62 A 4.7882 8.9102 126.4889 50.3592 21.7254 174.9935 63 Y 5.0137 8.4780 118.3081 56.1308 41.6699 174.9973 64 V 4.2860 8.6818 123.7758 61.5608 33.3077 174.7217 65 L 5.1946 8.3964 127.4959 53.2132 43.2505 176.8454 66 S 4.3278 9.2280 117.2886 61.0124 63.8268 174.2446 67 E 4.2983 7.8566 123.3573 56.4421 30.4254 174.7985 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 4.33 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 5 H 8.17 4.16 0.00 3.19 3.31 0.00 5.96 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.37 4.75 0.00 2.97 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 6.70 4.38 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.22 3.94 0.00 1.97 1.54 0.00 0.00 0.00 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 2.20 0.00 9 G 8.22 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 7.81 3.70 4.35 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 1.20 0.00 0.00 11 E 8.55 4.35 0.00 1.93 1.89 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 2.31 2.51 0.00 12 K 8.25 4.17 0.00 1.71 1.82 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.37 7.81 13 L 7.63 3.27 0.00 1.65 1.73 0.91 0.87 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 14 L 8.29 4.70 0.00 1.57 1.48 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.73 4.51 0.00 1.91 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 2.23 2.13 0.00 16 V 8.20 4.30 1.71 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 0.18 0.00 0.00 0.85 0.00 0.00 17 W 8.70 4.53 0.00 3.15 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 18 F 8.72 4.88 0.00 3.12 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 19 S 8.25 4.70 0.00 4.00 3.88 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 20 R 8.35 4.20 0.00 1.81 1.92 0.00 3.32 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 *28 G 8.03 3.73 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 0.00 0.00 0.00 29 S 8.37 4.05 0.00 4.00 3.95 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 0.00 0.00 0.00 0.00 30 G 8.28 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 0.00 0.00 0.00 31 D 8.22 4.65 0.00 2.74 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 8.80 4.09 0.00 1.84 1.89 1.13 0.87 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 33 R 8.22 4.37 0.00 1.98 2.18 0.00 3.20 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.68 0.00 34 T 7.70 4.03 4.29 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 1.19 0.00 0.00 35 I 7.58 3.48 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.47 -0.32 0.00 0.00 36 P 0.00 4.38 0.00 2.07 1.93 0.00 3.39 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 37 R 8.82 4.17 0.00 2.08 2.02 0.00 3.47 0.00 0.00 3.58 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.03 0.00 38 S 8.15 4.13 0.00 3.85 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 E 7.85 3.80 0.00 1.58 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 40 W 7.66 4.47 0.00 3.43 2.97 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 0.00 0.00 0.00 41 D 8.45 4.43 0.00 2.92 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 7.68 3.68 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.03 0.89 0.00 0.00 43 L 7.90 3.98 0.00 1.64 2.08 1.08 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.28 4.20 0.00 1.85 1.72 0.89 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.99 4.04 0.00 1.94 2.03 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.63 7.81 46 D 8.19 4.61 0.00 2.88 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 6.68 4.40 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 0.73 0.00 0.00 1.01 0.00 0.00 48 Q 6.62 3.38 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 49 C 7.49 4.99 0.00 2.97 3.09 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 0.00 0.00 0.00 50 S 8.51 4.65 0.00 3.92 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 51 I 8.31 4.79 1.96 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 1.43 0.71 1.14 0.00 0.00 52 I 8.23 4.40 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 1.23 0.64 0.92 0.00 0.00 53 S 7.37 4.75 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 8.44 4.66 1.96 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 0.76 0.00 0.00 0.41 0.00 0.00 55 T 8.57 4.65 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 1.14 0.00 0.00 56 K 8.62 4.97 0.00 1.53 1.61 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.19 1.28 7.81 57 T 8.82 4.71 4.22 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 1.20 0.00 0.00 58 D 8.81 4.35 0.00 2.66 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 8.00 4.18 0.00 1.74 1.87 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.38 7.81 60 Q 7.47 4.54 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 61 E 8.61 5.01 0.00 1.89 1.59 0.00 0.00 0.00 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 2.29 0.00 62 A 8.91 4.79 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 63 Y 8.48 5.01 0.00 2.65 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 4.29 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 1.04 0.00 0.00 0.92 0.00 0.00 65 L 8.40 5.19 0.00 1.57 1.65 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 66 S 9.23 4.33 0.00 3.82 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 67 E 7.86 4.30 0.00 1.93 1.88 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 2.26 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.