NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 144 Q 4.1829 8.3444 121.7128 55.9222 30.2805 174.2983 145 D 4.5296 8.2849 123.3577 51.2577 42.7293 173.5020 146 P 4.3948 0.0000 0.0000 65.1609 32.7796 176.9552 147 L 4.6132 8.1844 117.6616 54.3593 41.6208 176.1742 148 S 4.2498 8.0950 114.8414 59.5739 62.5746 174.9686 149 G 3.9361 8.7765 114.2435 45.6419 0.0000 173.1610 150 L 4.5426 7.4527 120.0174 53.6327 42.7847 177.5237 151 T 4.1543 8.7196 114.4315 61.1568 70.8985 175.2652 152 D 4.3825 8.6205 120.9057 58.0436 40.6969 179.4567 153 Q 4.0749 7.9953 117.6374 58.9517 28.6666 178.4807 154 E 3.9749 8.0141 119.5501 59.1655 29.3759 179.6200 155 R 3.9459 8.1915 118.3796 59.5228 30.0892 179.1071 156 T 3.8586 7.8576 115.4827 66.4299 68.3520 176.1932 157 L 3.9588 8.2102 122.5341 58.2117 41.9725 178.6527 158 L 4.0815 8.2649 120.4236 58.4396 41.8018 179.3513 159 G 3.6554 8.0778 104.1369 47.5799 0.0000 175.2861 160 L 4.2403 8.3269 121.4460 57.2906 41.7198 179.2197 161 L 4.0523 8.3080 119.7929 57.7650 41.3693 179.4346 162 S 4.3409 7.7862 112.3346 60.4042 63.1052 175.2542 163 E 4.3775 7.8341 120.9082 56.1074 29.4695 176.9265 164 G 3.9106 7.8344 107.3230 45.7261 0.0000 174.0406 165 L 4.3873 7.6020 118.6096 54.2203 42.4756 177.5238 166 T 4.3251 8.9387 113.2341 61.0718 71.1569 175.7311 167 N 4.3237 8.5549 118.2829 56.2622 38.4669 177.6372 168 K 3.9119 7.9187 120.6384 59.5362 32.5538 178.8178 169 Q 3.9783 8.1883 118.3775 58.9411 28.3904 178.8171 170 I 3.6863 7.9248 119.9716 64.3607 37.3865 177.8893 171 A 4.1001 8.2379 121.8436 55.2796 17.8828 179.4350 172 D 4.1502 7.8147 116.3993 57.3767 40.9895 179.5635 173 R 4.0981 7.3786 115.7904 56.2363 31.3482 177.1743 *175 F 4.4314 7.9673 113.7900 57.8311 40.1828 174.6058 176 L 4.8577 8.0683 118.8811 51.9727 45.7363 177.7922 177 A 4.1326 8.1837 122.2723 51.7970 20.2268 178.3048 178 E 3.8008 8.7918 123.4762 59.5406 29.5590 179.5304 179 K 3.8788 7.9322 118.8818 59.7115 32.2080 178.7157 180 T 3.5664 7.6135 115.5887 66.4733 68.3548 176.5762 181 V 3.4328 7.4768 120.1198 65.6201 31.6601 177.8818 182 K 3.8665 8.1982 119.5869 59.6480 32.0652 178.1974 183 N 4.3435 8.2375 116.7752 56.9260 38.4996 177.0191 184 Y 4.3782 8.3171 118.1535 61.0838 37.8395 178.6724 185 V 3.6510 8.4482 119.7307 66.1641 31.5385 178.3557 186 S 4.1552 8.0920 114.5338 61.5937 62.6878 176.8947 187 R 3.9147 8.1443 120.8852 58.9849 29.8184 178.8302 188 L 3.9287 8.6048 120.4821 58.2191 41.9180 178.9961 189 L 3.9456 8.0530 117.6787 57.5761 41.8777 178.8512 190 A 4.1373 8.1609 120.8636 55.5391 18.1027 179.9883 191 K 3.9492 7.8474 115.0443 59.3294 32.1899 179.0637 192 L 4.0813 7.7761 117.4684 54.3495 43.0864 175.9487 193 G 3.4609 7.3390 106.9309 45.8460 0.0000 173.2352 *195 E 4.3753 7.8110 117.8567 55.8141 32.2137 176.9957 196 R 4.7221 8.3086 116.7673 53.3366 33.9744 176.1608 197 R 3.9240 8.7755 120.9375 59.9798 29.8635 178.9675 198 T 3.8926 7.8994 108.8999 64.9943 68.6089 176.0702 199 Q 4.0001 7.9018 120.8640 58.7434 28.6879 178.9565 200 A 4.0487 8.0133 120.9170 55.0535 18.5065 179.3980 201 A 3.9595 8.0502 119.3961 55.3006 18.3902 180.0754 202 V 3.5643 8.2448 117.2385 65.9786 31.5396 178.0195 203 F 4.1705 8.6361 120.4949 61.2928 39.2772 176.9596 204 A 3.7768 8.3693 120.5271 55.3603 17.9532 179.6743 205 T 3.7739 7.7577 113.0996 66.8140 68.8451 176.2807 206 E 4.0596 8.2840 120.5276 59.5298 29.2890 179.4140 207 L 3.8212 7.4872 117.6496 57.6765 41.7200 179.3716 208 K 4.1170 7.8078 116.3673 57.7356 32.0642 177.0927 209 R 4.1541 7.6255 124.5064 56.2133 30.0879 175.1798 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 144 Q 8.34 4.18 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 145 D 8.28 4.53 0.00 2.75 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 P 0.00 4.39 0.00 2.19 2.28 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 147 L 8.18 4.61 0.00 1.86 1.69 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 148 S 8.09 4.25 0.00 3.86 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 0.00 149 G 8.78 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 0.00 0.00 0.00 0.00 150 L 7.45 4.54 0.00 1.77 1.61 0.98 0.76 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 0.00 151 T 8.72 4.15 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 1.20 0.00 0.00 152 D 8.62 4.38 0.00 2.70 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 0.00 153 Q 8.00 4.07 0.00 1.98 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 154 E 8.01 3.97 0.00 2.25 1.97 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 2.23 2.16 0.00 155 R 8.19 3.95 0.00 2.03 1.99 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 156 T 7.86 3.86 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 157 L 8.21 3.96 0.00 1.93 1.93 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.26 4.08 0.00 1.97 1.93 1.08 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 159 G 8.08 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 0.00 0.00 0.00 160 L 8.33 4.24 0.00 1.85 1.73 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 161 L 8.31 4.05 0.00 1.87 1.75 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 162 S 7.79 4.34 0.00 3.99 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 0.00 163 E 7.83 4.38 0.00 2.14 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 2.53 2.46 0.00 164 G 7.83 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 0.00 165 L 7.60 4.39 0.00 1.65 1.61 0.92 0.91 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 0.00 166 T 8.94 4.33 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 1.21 0.00 0.00 167 N 8.55 4.32 0.00 2.74 2.89 0.00 0.00 6.44 8.30 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 0.00 168 K 7.92 3.91 0.00 1.89 1.77 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 1.10 7.81 169 Q 8.19 3.98 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 170 I 7.92 3.69 1.87 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 1.46 0.60 0.94 0.00 0.00 171 A 8.24 4.10 1.38 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 0.00 0.00 172 D 7.81 4.15 0.00 2.86 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 0.00 173 R 7.38 4.10 0.00 1.93 1.94 0.00 3.32 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 *175 F 7.97 4.43 0.00 3.08 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 0.00 176 L 8.07 4.86 0.00 1.53 1.42 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 177 A 8.18 4.13 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 0.00 178 E 8.79 3.80 0.00 2.01 1.94 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 2.35 2.26 0.00 179 K 7.93 3.88 0.00 1.92 1.74 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.51 1.10 7.81 180 T 7.61 3.57 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 0.52 0.00 0.00 181 V 7.48 3.43 2.18 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 1.03 0.00 0.00 0.91 0.00 0.00 182 K 8.20 3.87 0.00 1.83 1.93 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.49 7.81 183 N 8.24 4.34 0.00 2.96 2.96 0.00 0.00 7.11 7.71 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 0.00 184 Y 8.32 4.38 0.00 3.12 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 0.00 185 V 8.45 3.65 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 1.15 0.00 0.00 1.05 0.00 0.00 186 S 8.09 4.16 0.00 4.14 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 0.00 187 R 8.14 3.91 0.00 2.05 1.96 0.00 3.18 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 188 L 8.60 3.93 0.00 1.72 1.94 0.94 0.86 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 0.00 189 L 8.05 3.95 0.00 1.77 1.70 0.93 0.78 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 0.00 190 A 8.16 4.14 1.39 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 0.00 0.00 191 K 7.85 3.95 0.00 1.85 1.85 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.64 7.81 192 L 7.78 4.08 0.00 1.50 1.43 0.85 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 193 G 7.34 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 *195 E 7.81 4.38 0.00 1.99 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 2.20 2.33 0.00 196 R 8.31 4.72 0.00 1.77 1.77 0.00 3.31 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 197 R 8.78 3.92 0.00 1.88 1.95 0.00 3.19 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 198 T 7.90 3.89 4.26 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 0.00 0.00 0.00 1.22 0.00 0.00 199 Q 7.90 4.00 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 200 A 8.01 4.05 1.39 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 0.00 0.00 201 A 8.05 3.96 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 V 8.24 3.56 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.98 0.00 0.00 203 F 8.64 4.17 0.00 3.17 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 A 8.37 3.78 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 T 7.76 3.77 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 206 E 8.28 4.06 0.00 2.14 1.92 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 2.31 2.34 0.00 207 L 7.49 3.82 0.00 1.54 1.52 0.72 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 208 K 7.81 4.12 0.00 1.84 1.83 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.58 7.81 209 R 7.63 4.15 0.00 1.99 1.83 0.00 3.41 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.40 0.00 * Residues marked with a * may have inaccurate shift predictions.