NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2373 0.0000 0.0000 62.6205 32.8208 176.9432 3 D 4.2121 8.4589 121.7062 55.0240 41.3194 177.4737 4 F 4.5357 8.9036 115.8407 59.6937 38.0310 176.9790 5 C 4.6244 6.9450 114.9321 58.5458 40.1551 174.6226 6 L 4.2460 7.8235 119.6761 54.2966 42.0831 176.5924 7 E 4.3200 7.3290 117.6288 54.6039 30.5866 175.0334 8 P 4.3020 0.0000 0.0000 61.6756 32.0326 174.3846 9 P 3.4931 0.0000 0.0000 62.8320 31.3043 175.0806 10 Y 4.6659 7.9277 122.7513 56.0385 39.8368 175.2195 11 T 4.1316 8.3931 125.6016 64.9661 68.8607 176.4335 12 G 3.6225 6.6274 108.8960 43.5205 0.0000 171.3203 13 P 4.3169 0.0000 0.0000 65.3280 32.0513 177.9994 14 C 4.5036 7.8692 115.5452 56.8072 40.7663 173.4741 15 K 4.7356 8.1762 119.5095 56.0903 32.6047 176.4632 16 A 4.3217 8.1176 120.6234 51.0315 20.9041 177.7550 17 R 4.7886 8.1115 118.7800 54.4791 29.4146 173.4419 18 I 4.3634 8.3360 122.1020 59.2421 39.5520 175.3915 19 I 4.2874 8.3068 128.7827 61.1815 37.9369 175.4108 20 R 4.8463 8.2768 125.3922 54.6552 34.7386 173.5103 21 Y 5.6122 9.2296 116.6566 56.7257 41.2452 175.4328 22 F 5.6566 9.4360 116.6998 55.3933 42.2538 172.7649 23 Y 4.4619 8.8641 120.4728 57.2811 40.1261 173.8212 24 N 4.8197 8.2385 126.6322 51.6307 38.8482 174.8204 25 A 3.7788 8.4272 129.7264 54.8742 18.7814 178.8056 26 K 3.9989 8.0785 115.9627 58.9437 32.3093 177.5505 27 A 4.2468 7.9832 119.0197 51.5315 19.3423 177.0008 28 G 4.0307 8.0703 103.8357 45.3118 0.0000 173.2367 29 L 4.6703 6.9131 117.5572 54.3161 44.2842 174.5642 30 C 5.0309 8.6815 117.2631 56.6068 39.9021 173.4182 31 Q 4.9267 8.6026 122.5982 54.0153 32.3763 174.8958 32 T 5.2787 8.6051 111.2650 60.7953 70.5063 173.5396 33 F 5.0631 8.3536 117.0630 55.7184 42.1465 172.7672 34 V 4.3515 8.4196 119.3882 62.0095 32.5170 174.0814 35 Y 4.7818 8.8021 130.0266 55.8466 40.5190 176.2983 36 G 4.0520 8.0161 113.3876 46.3679 0.0000 174.9829 37 G 3.8105 7.3203 108.3152 44.9289 0.0000 172.0722 38 C 4.9055 7.0267 111.8172 55.7409 44.1762 173.8231 39 R 3.8045 8.7161 117.2258 57.0103 27.1346 176.2917 40 A 4.1338 7.3915 116.6785 52.8725 18.7182 178.6030 41 K 4.4248 8.3202 120.3556 54.6789 34.1846 177.1731 42 R 3.6270 8.0880 118.1831 58.9320 30.4659 177.6019 43 N 4.8093 7.7007 118.0349 51.4674 37.3272 175.0956 44 N 4.9618 6.5820 116.4774 53.0868 41.0352 172.9882 45 F 5.0880 9.4294 124.9736 55.7186 42.2820 176.5734 46 K 4.4294 8.8176 121.1444 57.6584 32.8834 177.5047 47 S 4.4403 7.7208 112.7417 55.4055 67.2307 174.4143 48 A 3.3040 7.2249 124.4045 55.2604 17.9797 180.0153 49 E 3.8018 7.7372 116.3811 59.5438 29.5976 179.1328 50 D 4.2547 8.0663 118.9233 57.3856 40.9124 177.9901 51 C 2.4500 7.8021 118.8491 59.4065 41.9823 175.3825 52 M 3.8655 8.3157 120.0575 58.4295 31.5430 178.1833 53 R 3.7682 7.7163 118.2865 59.3902 30.3420 177.8424 54 T 4.1230 7.5888 111.4539 63.6596 67.6271 174.4596 55 C 4.2518 8.0529 117.1438 57.2473 42.0329 173.7135 56 G 3.2896 7.5082 108.3840 45.7651 0.0000 173.4689 57 G 3.5986 7.9287 115.0095 43.0050 0.0000 171.5599 *58 A 4.0908 8.4495 127.8241 51.9101 18.8908 176.2533 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 2 P 0.00 4.24 0.00 1.41 1.93 0.00 3.45 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 3 D 8.46 4.21 0.00 2.82 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 4 F 8.90 4.54 0.00 3.53 3.28 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 0.00 5 C 6.95 4.62 0.00 3.07 3.13 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 0.00 6 L 7.82 4.25 0.00 1.78 1.76 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.33 4.32 0.00 2.07 2.01 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 2.72 2.29 0.00 8 P 0.00 4.30 0.00 2.11 2.03 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 9 P 0.00 3.49 0.00 1.17 0.49 0.00 3.31 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.44 0.00 10 Y 7.93 4.67 0.00 2.77 2.95 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 11 T 8.39 4.13 4.11 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 1.18 0.00 0.00 12 G 6.63 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 0.00 0.00 0.00 13 P 0.00 4.32 0.00 2.17 2.18 0.00 3.90 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 14 C 7.87 4.50 0.00 2.94 2.95 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 15 K 8.18 4.74 0.00 1.66 1.73 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.34 7.81 16 A 8.12 4.32 1.14 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 0.00 0.00 0.00 17 R 8.11 4.79 0.00 1.74 1.77 0.00 3.35 0.00 0.00 3.18 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 18 I 8.34 4.36 2.02 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 1.21 0.46 0.98 0.00 0.00 19 I 8.31 4.29 1.81 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 1.30 0.69 0.73 0.00 0.00 20 R 8.28 4.85 0.00 1.11 2.00 0.00 3.48 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 21 Y 9.23 5.61 0.00 3.18 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 22 F 9.44 5.66 0.00 3.30 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 4.46 0.00 3.13 3.18 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 0.00 0.00 0.00 0.00 24 N 8.24 4.82 0.00 2.31 2.46 0.00 0.00 6.65 7.75 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 25 A 8.43 3.78 1.34 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 0.00 0.00 0.00 26 K 8.08 4.00 0.00 1.75 1.89 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.38 7.81 27 A 7.98 4.25 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 28 G 8.07 4.03 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 0.00 0.00 0.00 29 L 6.91 4.67 0.00 1.68 1.71 0.90 0.53 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 30 C 8.68 5.03 0.00 2.94 3.23 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 31 Q 8.60 4.93 0.00 1.40 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 32 T 8.61 5.28 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 0.61 0.00 0.00 33 F 8.35 5.06 0.00 3.08 3.18 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 0.00 0.00 0.00 0.00 34 V 8.42 4.35 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 0.71 0.00 0.00 0.90 0.00 0.00 35 Y 8.80 4.78 0.00 2.52 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 36 G 8.02 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 0.00 0.00 0.00 37 G 7.32 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 38 C 7.03 4.91 0.00 3.09 3.10 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 39 R 8.72 3.80 0.00 2.21 2.27 0.00 3.33 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 40 A 7.39 4.13 1.16 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 0.00 0.00 0.00 41 K 8.32 4.42 0.00 1.74 1.68 0.00 1.39 0.00 0.00 1.47 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.20 7.81 42 R 8.09 3.63 0.00 1.17 0.66 0.00 2.96 0.00 0.00 2.84 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.26 0.00 43 N 7.70 4.81 0.00 3.22 2.87 0.00 0.00 6.91 7.46 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 44 N 6.58 4.96 0.00 2.66 2.58 0.00 0.00 7.09 7.02 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 45 F 9.43 5.09 0.00 3.33 2.95 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 46 K 8.82 4.43 0.00 1.83 1.94 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.48 7.81 47 S 7.72 4.44 0.00 3.84 3.87 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 48 A 7.22 3.30 0.99 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 0.00 0.00 49 E 7.74 3.80 0.00 1.90 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 2.25 2.27 0.00 50 D 8.07 4.25 0.00 2.90 2.83 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 51 C 7.80 2.45 0.00 2.92 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 52 M 8.32 3.87 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 53 R 7.72 3.77 0.00 1.91 1.96 0.00 3.27 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 54 T 7.59 4.12 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 1.37 0.00 0.00 55 C 8.05 4.25 0.00 2.76 2.39 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 56 G 7.51 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 0.00 0.00 0.00 57 G 7.93 3.60 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 0.00 0.00 0.00 *58 A 8.45 4.09 1.24 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.