NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 172 D 4.6170 8.3644 120.1953 54.4786 41.9134 175.0594 173 D 4.9886 7.7724 116.8021 53.9852 42.1668 172.4060 174 E 4.9306 7.7135 114.2692 55.3436 32.0662 175.3056 175 D 4.2451 8.0855 113.5189 52.5199 41.4639 176.7492 176 R 3.1843 8.5092 121.8790 59.2326 30.2628 178.0673 177 K 3.9396 7.9607 115.8947 59.1250 32.4513 176.9087 178 N 4.5064 8.3219 118.7913 52.5395 39.0388 173.8848 179 P 4.4903 0.0000 0.0000 65.2978 31.5545 177.0598 180 A 4.2996 8.4382 119.3274 52.6447 18.9772 177.0057 181 Y 4.1842 8.2998 118.3212 57.6590 39.1767 175.5103 182 I 4.1840 8.4314 128.4649 58.5004 38.6679 173.8577 183 P 4.3801 0.0000 0.0000 62.7695 31.6806 176.8492 184 R 4.1519 8.3139 117.8720 55.0401 32.3984 175.1575 185 K 4.1563 8.6709 118.1004 55.2968 32.7121 176.1576 186 G 4.2730 7.9055 114.9235 44.3479 0.0000 172.6858 187 L 4.0673 8.0493 120.2261 57.1010 41.8256 179.1005 188 F 4.2501 8.0563 112.9986 59.2092 37.9943 174.9634 189 F 4.2023 6.7150 122.8125 57.9580 37.8763 173.8715 190 E 4.3570 7.9566 126.2204 56.2006 29.6058 176.1913 191 H 4.4052 6.4578 115.8588 54.5929 29.9836 174.5340 192 D 4.4896 8.3497 121.2466 53.3173 40.7110 176.4571 193 L 4.4109 8.2533 128.3250 53.1040 40.8596 176.8494 194 R 3.8991 8.2301 122.8905 55.9857 28.5443 176.5547 *216 G 3.7663 8.0983 110.7205 44.6204 0.0000 170.5821 217 R 4.1280 8.2737 124.1369 56.0255 30.9040 176.9629 218 W 4.4916 8.7721 121.1267 56.5706 29.9107 175.7349 219 E 4.7859 8.4458 121.0533 54.9960 32.7840 176.0921 220 H 4.7188 8.4661 119.5035 55.3089 27.9403 176.1743 221 D 4.7114 7.8430 116.7502 54.0271 40.4525 177.5144 222 K 4.3999 7.8265 118.0151 56.1119 32.9701 175.9577 223 F 4.2956 7.8540 123.0615 57.8112 39.9254 174.5822 224 R 4.0285 7.3656 126.8039 54.0438 31.9057 174.5102 225 E 3.7117 8.3129 127.8655 59.2763 29.5333 177.9059 226 D 4.7502 7.8060 115.0566 53.6092 39.6047 176.0206 227 E 4.5893 8.3749 115.8635 56.1720 30.6414 176.0040 228 Q 4.5221 7.6796 115.8642 55.7680 29.3595 175.2881 229 A 4.5366 7.6363 120.5685 50.0551 20.1655 176.2571 230 P 4.3042 0.0000 0.0000 62.4905 31.9155 176.8102 231 K 4.0703 8.5877 121.3438 56.8111 32.9644 177.1363 232 S 4.4860 8.5886 115.7968 57.6609 65.3365 175.1701 233 R 3.8515 8.6009 123.4378 60.0863 29.7126 178.4878 234 Q 3.9705 8.0823 118.4365 59.1854 29.0665 177.8897 235 E 3.9260 8.2033 119.5690 59.4029 29.4454 179.2728 236 L 4.1295 7.8697 118.7964 57.9829 41.7461 179.7022 237 I 3.7851 8.1399 119.7102 64.4672 36.8624 178.3530 238 A 4.0692 8.2964 120.5560 54.8187 18.1847 179.0337 239 L 3.8770 7.5898 117.7803 57.4545 42.4569 177.6686 240 Y 4.6233 8.5583 113.8203 57.2754 39.0504 176.8856 241 G 4.0854 9.9798 109.0986 45.1559 0.0000 172.3078 242 Y 4.5661 6.8189 115.0252 56.3344 40.1306 174.1199 243 D 4.5349 8.3481 120.3438 53.2475 39.5942 176.3056 244 I 3.6316 7.6731 120.0274 63.0987 37.8933 179.0954 245 R 4.0316 7.8410 119.4502 58.5379 29.9953 177.7389 246 S 4.3369 8.0034 112.9135 59.6865 63.5370 174.5671 247 A 4.3274 7.3945 121.4046 51.4923 19.2715 176.2773 248 H 4.5768 8.6603 118.9613 55.8740 29.9005 175.4587 249 N 4.5098 8.8935 120.6505 53.9029 38.6202 174.0026 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 172 D 8.36 4.62 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 D 7.77 4.99 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 E 7.71 4.93 0.00 1.99 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 2.23 2.22 0.00 175 D 8.09 4.25 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.51 3.18 0.00 1.61 1.87 0.00 2.98 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.45 0.00 177 K 7.96 3.94 0.00 1.92 1.85 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.34 7.81 178 N 8.32 4.51 0.00 2.99 2.80 0.00 0.00 7.16 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 P 0.00 4.49 0.00 2.10 2.13 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 180 A 8.44 4.30 1.36 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 0.00 0.00 0.00 181 Y 8.30 4.18 0.00 3.01 3.02 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 0.00 182 I 8.43 4.18 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.02 0.84 0.00 0.00 183 P 0.00 4.38 0.00 2.22 2.22 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.30 0.00 184 R 8.31 4.15 0.00 1.35 0.87 0.00 2.95 0.00 0.00 2.91 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.52 0.00 185 K 8.67 4.16 0.00 1.76 1.74 0.00 1.85 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.39 7.81 186 G 7.91 4.27 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 0.00 0.00 0.00 187 L 8.05 4.07 0.00 1.72 1.78 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 188 F 8.06 4.25 0.00 3.16 3.24 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 0.00 189 F 6.72 4.20 0.00 2.41 2.86 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 0.00 0.00 0.00 190 E 7.96 4.36 0.00 1.75 1.78 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 2.30 2.47 0.00 191 H 6.46 4.41 0.00 2.38 2.98 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 D 8.35 4.49 0.00 2.59 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 0.00 193 L 8.25 4.41 0.00 1.76 1.69 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 194 R 8.23 3.90 0.00 1.81 1.93 0.00 3.24 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 *216 G 8.10 3.77 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 0.00 0.00 0.00 217 R 8.27 4.13 0.00 1.87 1.97 0.00 3.37 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 218 W 8.77 4.49 0.00 3.19 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 0.00 219 E 8.45 4.79 0.00 1.92 1.85 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 2.24 2.26 0.00 220 H 8.47 4.72 0.00 3.30 3.31 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 D 7.84 4.71 0.00 2.80 2.81 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 0.00 222 K 7.83 4.40 0.00 1.79 1.88 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.39 7.81 223 F 7.85 4.30 0.00 2.95 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 0.00 224 R 7.37 4.03 0.00 1.69 1.62 0.00 3.21 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 225 E 8.31 3.71 0.00 2.05 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 2.42 2.38 0.00 226 D 7.81 4.75 0.00 2.76 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 E 8.37 4.59 0.00 1.92 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 0.00 2.07 2.24 0.00 228 Q 7.68 4.52 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 229 A 7.64 4.54 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 0.00 230 P 0.00 4.30 0.00 2.06 2.02 0.00 3.73 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 2.04 2.14 0.00 231 K 8.59 4.07 0.00 1.76 1.80 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.49 7.81 232 S 8.59 4.49 0.00 4.08 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 R 8.60 3.85 0.00 1.90 2.00 0.00 3.20 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 234 Q 8.08 3.97 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 235 E 8.20 3.93 0.00 2.23 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 2.32 2.35 0.00 236 L 7.87 4.13 0.00 1.91 1.78 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 237 I 8.14 3.79 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.67 0.95 0.00 0.00 238 A 8.30 4.07 1.30 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 0.00 0.00 0.00 239 L 7.59 3.88 0.00 1.39 1.33 0.57 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 240 Y 8.56 4.62 0.00 2.92 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 0.00 241 G 9.98 4.09 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 0.00 0.00 0.00 242 Y 6.82 4.57 0.00 3.07 2.91 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 0.00 243 D 8.35 4.53 0.00 2.74 2.68 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 0.00 244 I 7.67 3.63 1.53 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.43 -0.01 0.00 0.00 245 R 7.84 4.03 0.00 1.98 2.02 0.00 3.14 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 246 S 8.00 4.34 0.00 4.05 3.92 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 0.00 247 A 7.39 4.33 1.40 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 0.00 0.00 248 H 8.66 4.58 0.00 3.17 3.24 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 249 N 8.89 4.51 0.00 2.85 2.77 0.00 0.00 6.96 7.56 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 * Residues marked with a * may have inaccurate shift predictions.