NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 177 A 4.3027 8.3645 123.5907 52.2313 19.5146 176.6517 178 R 3.8206 8.3677 113.8787 54.4220 30.2105 171.9636 179 T 4.0417 8.6006 112.9452 60.2001 68.9111 174.3139 180 F 4.4275 8.1228 127.0430 56.6056 40.5072 176.5592 181 D 4.4111 9.0682 120.9853 57.6976 40.3306 179.2830 182 W 4.3238 8.4067 116.4252 59.8040 27.8379 177.5102 183 M 3.7554 6.8500 119.9192 56.7898 31.3559 177.4786 184 K 4.3668 7.6533 119.5972 53.9677 32.9077 181.9854 185 V 3.8350 7.1993 119.3329 62.8548 32.6760 174.5303 *206 L 3.8848 8.1113 121.4763 54.7964 42.2019 175.8332 207 R 4.3786 8.3134 126.1591 54.2560 31.2202 174.9880 208 T 3.6345 8.3137 121.8900 64.3777 68.7173 174.2212 209 N 4.6374 8.1464 123.3905 51.0800 38.2801 174.1257 210 F 4.8006 7.9766 121.7152 57.4552 39.9719 176.5109 211 T 4.3456 9.1163 116.0769 61.4496 71.0457 176.1640 212 T 3.8982 8.3523 117.9184 66.7256 68.4745 176.9186 213 R 3.8905 7.8995 120.3287 59.3055 30.1085 178.5309 214 Q 3.8120 7.8528 117.5503 58.8322 28.6937 178.4555 215 L 3.5663 7.8229 119.9515 57.8830 41.5977 179.7439 216 T 3.8220 7.8921 115.6176 66.7916 68.5210 176.6464 217 E 3.9665 7.8949 119.8910 59.0321 29.3644 179.4688 218 L 3.5564 7.7082 119.6192 57.4295 41.3078 179.1615 219 E 4.1436 8.0383 118.7680 59.4107 29.2568 179.0379 220 K 3.9298 7.7320 118.0617 59.9573 32.4690 178.0661 221 E 4.3113 8.1808 118.1851 59.4107 28.9150 178.9876 222 F 4.6688 8.5284 120.7418 61.9436 39.3026 176.4875 223 H 4.4054 8.5117 112.6962 57.1386 28.5691 176.3389 224 F 4.7846 8.2300 124.8833 59.4160 40.0809 176.3165 225 N 4.5893 7.3666 112.5872 51.0728 41.6872 177.3326 226 K 3.9533 8.8488 123.7775 57.5197 32.5509 176.9038 227 Y 4.7613 7.9919 114.6613 55.9172 40.7126 174.6713 228 L 4.6706 8.1733 122.6209 52.9679 44.2435 177.2530 229 S 4.6217 8.3495 119.5388 58.2295 65.6050 176.1933 230 R 3.9582 8.4906 123.6377 61.5097 28.8924 179.3736 231 A 4.1666 7.9141 120.3017 55.4292 18.5386 179.6786 232 R 3.8696 8.1269 116.6488 58.9092 30.0759 178.8564 233 R 3.7607 7.9641 118.9561 59.5129 30.1975 178.5028 234 V 3.5794 7.5206 118.0225 65.8713 31.4351 177.6020 235 E 3.8858 7.9326 119.0377 59.4352 29.5485 178.8691 236 I 3.6628 7.9036 119.6400 64.1541 37.1130 178.1649 237 A 3.9407 8.1463 121.3911 55.1704 18.0152 179.3780 238 A 3.9289 7.9793 119.0152 55.7797 18.2494 179.9306 239 T 3.8231 7.6456 112.6095 66.6418 68.6896 176.1602 240 L 4.2066 8.0998 117.7404 54.0570 42.4372 176.1877 241 E 3.7264 7.9613 117.1779 57.6085 26.8102 173.2720 242 L 4.9160 7.9471 116.5027 52.4989 46.4652 176.7325 243 N 4.8487 8.6901 117.0724 52.4158 41.0592 176.5989 244 E 4.0575 8.5642 121.2959 59.8870 29.5614 179.7996 245 T 3.9312 7.9145 115.4145 66.8149 68.5216 176.5196 246 Q 4.2333 8.1389 119.4943 58.9258 28.8133 178.8717 247 V 3.7293 7.8844 118.9839 65.8058 31.6278 177.9353 248 K 4.0274 8.8052 119.7395 59.8521 31.9967 178.8773 249 I 3.8562 8.4414 120.4715 64.0165 36.9134 178.2605 250 W 4.0120 8.7156 129.5421 60.5003 30.4657 178.1229 251 F 3.7285 8.9217 117.9190 60.2700 38.4533 177.3108 252 Q 3.9196 8.2593 119.2302 59.4665 28.9699 178.0931 253 N 4.1570 8.2641 117.6272 56.2391 38.6472 177.4327 254 R 3.0448 7.2793 120.1248 59.0507 29.9248 178.7564 255 R 3.9776 7.7434 117.9576 59.6291 30.0754 178.9952 256 M 4.0728 7.8064 118.3446 58.0989 31.7028 178.8456 257 K 4.0315 7.6231 117.8201 59.3832 33.0202 179.2045 258 Q 4.0998 7.6997 119.5048 58.7920 28.5728 178.1577 259 K 3.9727 8.2016 123.1132 60.0939 32.0431 178.8706 260 K 4.3951 7.9926 122.8446 58.3988 32.0390 180.3562 261 R 4.7158 8.1999 123.5616 61.6258 30.7624 183.7005 262 E 4.5273 8.3137 118.9063 60.0865 30.0134 180.5662 263 R 4.8554 7.4565 119.8297 59.4614 30.2108 182.1143 264 E 4.4884 7.9120 119.9515 57.4509 30.9710 179.6738 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 177 A 8.36 4.30 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 0.00 178 R 8.37 3.82 0.00 1.93 1.72 0.00 3.26 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.25 0.00 179 T 8.60 4.04 4.06 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 0.00 0.00 1.09 0.00 0.00 180 F 8.12 4.43 0.00 3.10 3.16 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 0.00 181 D 9.07 4.41 0.00 2.91 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 0.00 182 W 8.41 4.32 0.00 3.65 3.36 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 0.00 183 M 6.85 3.76 0.00 1.43 1.80 0.00 0.00 0.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.81 0.00 184 K 7.65 4.37 0.00 1.72 1.66 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.20 7.81 185 V 7.20 3.83 2.16 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 0.92 0.00 0.00 1.05 0.00 0.00 *206 L 8.11 3.88 0.00 1.64 1.61 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 207 R 8.31 4.38 0.00 1.72 1.75 0.00 3.29 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 1.41 1.54 0.00 208 T 8.31 3.63 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 209 N 8.15 4.64 0.00 2.64 2.74 0.00 0.00 7.07 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 F 7.98 4.80 0.00 3.09 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 0.00 211 T 9.12 4.35 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 1.24 0.00 0.00 212 T 8.35 3.90 4.24 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 1.21 0.00 0.00 213 R 7.90 3.89 0.00 1.85 1.90 0.00 3.15 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 214 Q 7.85 3.81 0.00 2.18 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 215 L 7.82 3.57 0.00 1.67 1.71 1.04 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 216 T 7.89 3.82 4.21 0.00 0.00 0.00 0.00 0.00 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 0.00 217 E 7.89 3.97 0.00 1.96 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 2.41 2.42 0.00 218 L 7.71 3.56 0.00 0.30 0.13 -0.76 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 219 E 8.04 4.14 0.00 2.16 2.16 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 2.61 2.59 0.00 220 K 7.73 3.93 0.00 1.86 2.06 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.55 7.81 221 E 8.18 4.31 0.00 2.51 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 222 F 8.53 4.67 0.00 3.15 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 0.00 223 H 8.51 4.41 0.00 3.27 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 F 8.23 4.78 0.00 3.04 3.39 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 0.00 225 N 7.37 4.59 0.00 2.76 2.52 0.00 0.00 7.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 K 8.85 3.95 0.00 1.90 1.73 0.00 0.80 0.00 0.00 0.81 0.00 0.00 2.51 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.30 1.33 7.81 227 Y 7.99 4.76 0.00 2.89 2.89 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 0.00 228 L 8.17 4.67 0.00 1.34 1.36 0.05 0.69 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 0.00 229 S 8.35 4.62 0.00 4.05 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 0.00 230 R 8.49 3.96 0.00 1.84 1.99 0.00 3.25 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 231 A 7.91 4.17 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 R 8.13 3.87 0.00 1.93 1.94 0.00 3.19 0.00 0.00 3.62 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 233 R 7.96 3.76 0.00 1.95 2.07 0.00 3.39 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 234 V 7.52 3.58 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.07 0.00 0.00 235 E 7.93 3.89 0.00 2.01 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 0.00 2.28 2.33 0.00 236 I 7.90 3.66 1.86 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 1.44 0.74 0.89 0.00 0.00 237 A 8.15 3.94 1.46 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 0.00 238 A 7.98 3.93 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 0.00 239 T 7.65 3.82 4.34 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 1.17 0.00 0.00 240 L 8.10 4.21 0.00 1.55 1.61 0.70 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 241 E 7.96 3.73 0.00 2.13 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 0.00 2.23 2.41 0.00 242 L 7.95 4.92 0.00 1.60 1.75 0.79 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 243 N 8.69 4.85 0.00 2.81 2.76 0.00 0.00 7.47 7.68 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 0.00 244 E 8.56 4.06 0.00 2.04 2.02 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 2.41 2.42 0.00 245 T 7.91 3.93 4.30 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 1.26 0.00 0.00 246 Q 8.14 4.23 0.00 2.41 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 247 V 7.88 3.73 2.31 0.00 0.00 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 1.05 0.00 0.00 248 K 8.81 4.03 0.00 1.92 2.04 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.55 7.81 249 I 8.44 3.86 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.85 0.98 0.00 0.00 250 W 8.72 4.01 0.00 3.57 3.36 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 0.00 251 F 8.92 3.73 0.00 3.44 3.19 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 0.00 252 Q 8.26 3.92 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 253 N 8.26 4.16 0.00 2.42 2.59 0.00 0.00 6.77 8.14 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 0.00 254 R 7.28 3.04 0.00 0.67 0.83 0.00 2.27 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 255 R 7.74 3.98 0.00 1.96 1.93 0.00 2.78 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 256 M 7.81 4.07 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.81 0.00 257 K 7.62 4.03 0.00 1.81 1.77 0.00 1.31 0.00 0.00 1.35 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 1.27 7.81 258 Q 7.70 4.10 0.00 2.48 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.93 0.00 259 K 8.20 3.97 0.00 1.84 2.00 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 260 K 7.99 4.40 0.00 1.92 1.69 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.32 7.81 261 R 8.20 4.72 0.00 1.77 1.93 0.00 3.23 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 262 E 8.31 4.53 0.00 2.06 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 2.23 1.94 0.00 263 R 7.46 4.86 0.00 1.84 1.82 0.00 3.26 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 264 E 7.91 4.49 0.00 1.97 1.66 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 2.17 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.