NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 169 H 4.7534 8.4449 120.3923 55.9402 30.7244 172.1711 170 L 4.4833 8.2565 127.0993 52.1793 43.4933 174.7459 171 D 4.6218 9.4785 124.0623 52.9673 43.1934 176.2783 172 D 4.5443 8.7269 122.3721 57.5429 41.0623 177.8871 173 D 5.0295 7.9734 115.2953 52.9577 39.7818 176.7480 174 E 4.5494 8.5573 117.8217 56.0258 31.1364 175.1928 175 D 4.7682 8.0163 119.9350 52.3569 41.1679 176.3460 176 R 2.8463 8.6283 126.8265 59.2312 30.0663 178.0403 177 K 4.3043 8.0227 113.7927 56.2670 32.1012 175.5118 178 N 5.0096 8.2493 119.5934 50.7161 40.6949 173.7098 179 P 4.3602 0.0000 0.0000 65.8794 31.3833 177.1063 180 A 4.1814 8.9552 120.7786 53.1445 18.1593 176.3065 181 Y 4.1423 8.3418 119.1592 58.1863 40.0328 175.4440 182 I 4.2831 7.0985 126.7612 58.0219 38.1787 172.3560 183 P 4.3814 0.0000 0.0000 62.3695 31.6165 176.2570 184 R 4.6068 8.7131 120.0787 55.4369 32.4966 175.0661 185 K 4.0944 9.4181 118.3755 56.9547 32.4423 175.1754 186 G 4.0291 8.0428 113.9333 43.4277 0.0000 172.2523 187 L 3.8615 8.1502 122.0239 57.5739 41.6596 178.9552 188 F 4.4123 7.9550 111.6084 58.4171 37.7127 175.4719 189 F 4.6073 7.9868 125.8930 57.1389 37.7227 174.6020 190 E 4.3168 8.1101 124.0963 56.4060 29.4524 176.6514 191 H 4.5758 6.9678 116.0901 54.7062 30.0993 174.0475 192 D 4.8318 8.4442 120.3500 52.7099 42.1111 175.3394 193 L 4.8051 8.5165 126.3074 53.3159 44.2223 177.2195 194 R 4.5367 8.1944 122.1418 54.6304 30.8072 175.3162 *216 G 3.7219 7.6503 105.4764 45.3178 0.0000 170.9090 217 R 4.5130 8.3962 123.5006 54.1043 31.3800 176.0907 218 W 4.4961 8.8130 124.6890 57.7427 29.6795 175.1238 219 E 4.7362 8.1639 118.7644 55.8545 33.1379 175.4992 220 H 4.6910 8.5227 119.3224 54.8699 27.8494 176.1553 221 D 4.4176 8.0106 121.9593 57.5938 41.3062 178.5161 222 K 4.3975 8.0080 115.3061 56.2850 32.0374 175.7896 223 F 4.5795 7.7838 121.4471 56.8220 40.3217 175.5082 224 R 4.1657 7.3235 126.4170 54.1841 31.6048 175.6802 225 E 3.6586 8.3723 124.4805 59.3351 30.0260 178.3577 226 D 4.4044 8.0444 118.1859 57.5311 40.9847 177.6867 227 E 4.3831 7.5471 112.7377 56.6242 29.4600 176.5986 228 Q 4.3530 7.4485 116.6791 55.9963 29.3817 175.0808 229 A 4.4413 7.5243 119.1384 50.2316 20.0936 175.1704 230 P 4.3872 0.0000 0.0000 62.8356 31.7577 175.9009 231 K 4.4232 8.1928 118.3119 54.7609 33.3796 176.9851 232 S 4.1052 8.8328 117.7385 58.7693 63.1109 174.6642 233 R 3.9169 8.9445 126.4658 60.0836 29.5013 178.6804 234 Q 4.0377 8.0993 116.9017 59.1217 28.8033 178.4307 235 E 3.9754 8.1838 119.4957 59.4677 29.4048 179.4381 236 L 4.2914 7.8415 118.2524 57.5356 42.0703 178.9615 237 I 3.9055 8.0123 118.8948 63.1555 36.6778 177.8572 238 A 4.1858 7.4138 121.3393 54.4404 19.4418 178.9099 239 L 3.8166 7.4598 115.4387 57.2926 41.7598 177.9298 240 Y 4.3916 8.4544 112.9652 57.1255 39.5658 176.6845 241 G 4.6272 9.9193 108.3699 45.1605 0.0000 172.7852 242 Y 4.7757 6.6864 114.3845 55.7728 40.1557 173.5732 243 D 4.4568 8.7448 121.7781 53.4165 40.1938 176.6518 244 I 4.0674 8.0053 124.2076 63.3255 37.6983 177.4523 245 R 4.0487 8.0223 116.5607 58.1822 29.6680 177.1017 246 S 4.7653 7.8794 111.6943 57.6773 63.2265 173.6599 247 A 4.7244 7.6894 121.8318 51.0608 21.6066 176.2382 248 H 4.2143 9.0556 121.1151 56.6938 29.7712 174.7656 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 169 H 8.44 4.75 0.00 3.09 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 8.26 4.48 0.00 1.72 1.56 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 171 D 9.48 4.62 0.00 2.73 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 4.54 0.00 2.72 2.79 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 0.00 173 D 7.97 5.03 0.00 2.74 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 0.00 174 E 8.56 4.55 0.00 1.91 1.99 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 2.19 2.18 0.00 175 D 8.02 4.77 0.00 2.78 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 0.00 176 R 8.63 2.85 0.00 1.61 1.62 0.00 3.12 0.00 0.00 3.01 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.42 0.00 177 K 8.02 4.30 0.00 1.72 1.80 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.36 7.81 178 N 8.25 5.01 0.00 2.94 2.97 0.00 0.00 6.95 7.55 0.00 0.00 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 4.36 0.00 2.24 2.20 0.00 3.85 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 2.02 2.00 0.00 180 A 8.96 4.18 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 4.14 0.00 3.39 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 0.00 182 I 7.10 4.28 1.66 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 1.16 0.86 0.88 0.00 0.00 183 P 0.00 4.38 0.00 2.04 2.40 0.00 3.66 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.60 0.00 184 R 8.71 4.61 0.00 1.45 1.10 0.00 3.14 0.00 0.00 3.09 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 185 K 9.42 4.09 0.00 1.73 1.69 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.24 1.34 7.81 186 G 8.04 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 0.00 187 L 8.15 3.86 0.00 1.67 1.81 0.94 0.85 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 0.00 188 F 7.95 4.41 0.00 3.09 3.26 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 0.00 189 F 7.99 4.61 0.00 2.80 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 8.11 4.32 0.00 1.85 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 2.29 2.33 0.00 191 H 6.97 4.58 0.00 2.58 3.09 0.00 5.64 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 0.00 192 D 8.44 4.83 0.00 2.65 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 8.52 4.81 0.00 1.69 1.59 0.87 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 194 R 8.19 4.54 0.00 1.74 1.82 0.00 3.25 0.00 0.00 3.38 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 *216 G 7.65 3.72 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 0.00 0.00 0.00 217 R 8.40 4.51 0.00 1.82 1.88 0.00 3.27 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 218 W 8.81 4.50 0.00 3.20 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 0.00 219 E 8.16 4.74 0.00 2.01 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 2.27 2.59 0.00 220 H 8.52 4.69 0.00 3.21 3.28 0.00 5.63 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 0.00 221 D 8.01 4.42 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 0.00 222 K 8.01 4.40 0.00 1.79 1.83 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.35 7.81 223 F 7.78 4.58 0.00 3.03 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 0.00 224 R 7.32 4.17 0.00 1.66 1.64 0.00 3.15 0.00 0.00 3.36 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 225 E 8.37 3.66 0.00 1.92 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 2.32 2.43 0.00 226 D 8.04 4.40 0.00 2.67 2.65 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 0.00 227 E 7.55 4.38 0.00 2.09 1.98 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 2.20 2.11 0.00 228 Q 7.45 4.35 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 229 A 7.52 4.44 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 0.00 230 P 0.00 4.39 0.00 2.05 2.06 0.00 3.67 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 2.04 2.14 0.00 231 K 8.19 4.42 0.00 1.75 1.76 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.42 7.81 232 S 8.83 4.11 0.00 3.85 3.76 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 0.00 233 R 8.94 3.92 0.00 1.92 1.95 0.00 3.26 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 234 Q 8.10 4.04 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.63 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 235 E 8.18 3.98 0.00 2.26 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 2.33 2.37 0.00 236 L 7.84 4.29 0.00 1.84 1.75 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 237 I 8.01 3.91 2.02 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 1.52 0.91 1.01 0.00 0.00 238 A 7.41 4.19 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.46 3.82 0.00 1.20 0.83 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 240 Y 8.45 4.39 0.00 2.62 2.65 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 0.00 241 G 9.92 4.63 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 0.00 0.00 0.00 242 Y 6.69 4.78 0.00 3.06 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 0.00 243 D 8.74 4.46 0.00 2.81 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 0.00 244 I 8.01 4.07 1.57 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.14 0.81 0.00 0.00 245 R 8.02 4.05 0.00 1.90 2.03 0.00 2.97 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 246 S 7.88 4.77 0.00 3.97 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 0.00 247 A 7.69 4.72 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.06 4.21 0.00 3.12 3.20 0.00 5.77 0.00 0.00 0.00 0.00 6.91 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.