NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 201 A 4.0680 8.1233 122.4575 51.9476 20.8783 175.8314 *203 D 4.3887 8.5335 118.3677 54.5636 40.9627 176.2894 204 C 4.5083 8.8552 121.3195 59.4869 41.0928 174.0593 205 A 4.7773 7.3803 117.9847 50.6355 22.7022 175.1317 206 K 4.7963 8.0375 119.9446 53.7482 35.7157 176.7528 207 G 3.8658 7.7032 113.0799 45.5421 0.0000 171.5456 208 K 4.5953 7.9565 118.6365 55.8439 32.8668 176.8994 209 I 4.1129 8.0825 122.6303 60.7726 37.3663 175.6999 210 E 4.2947 9.2502 128.5993 58.9590 30.0044 176.5981 211 F 5.1213 7.3572 111.8965 56.1240 40.9660 172.7065 212 S 5.1728 8.9012 113.4224 56.7385 66.5046 173.1248 213 K 4.6144 8.4570 121.5544 55.2633 35.7955 173.9587 214 Y 4.8677 8.8546 128.7699 56.9045 39.9395 174.5234 215 N 4.8946 8.5081 124.2154 51.5756 40.8534 175.9944 216 E 4.0410 8.7976 120.9942 59.1417 29.8823 177.0540 217 D 4.5693 7.9344 116.0392 53.1914 39.5292 176.3681 218 N 4.0308 7.9612 115.5116 54.0443 36.6488 174.1711 219 T 4.6444 7.8175 109.6081 60.7974 71.4097 173.2217 220 F 5.3150 9.2071 123.8371 56.7606 42.7170 173.6609 221 T 5.3460 8.4225 121.9002 61.9706 71.6788 173.5801 222 V 4.7523 9.0551 117.9124 59.3370 36.5723 174.4031 223 K 4.7377 8.1834 124.3485 54.6100 34.4954 174.9599 224 V 4.5113 8.3402 127.1466 61.6293 34.8615 175.6292 225 S 3.7780 9.7833 123.0081 59.7370 60.3221 173.6557 226 G 3.9674 8.4335 106.4089 45.5522 0.0000 173.9991 227 R 4.6173 7.7909 118.5309 54.2795 33.5778 174.6452 228 E 5.0317 8.2505 120.9118 55.0603 32.2404 174.8029 229 Y 5.3298 8.8698 119.8761 56.1524 42.9403 174.1676 230 W 5.7627 8.7176 118.1901 55.3060 32.2394 173.9554 231 T 4.6533 9.2932 114.5950 60.5527 70.4181 173.7338 232 N 4.9871 8.6921 122.5334 52.5995 38.2069 175.2741 233 R 4.2168 7.7477 119.7404 55.5261 29.1722 177.1831 234 W 4.2657 8.8650 121.7379 58.7828 27.4861 178.4111 235 N 3.4457 7.0885 116.8526 56.1326 37.7041 176.9280 236 L 4.1624 7.5401 119.7585 57.3134 41.5953 179.2953 237 Q 3.2354 7.7353 118.7838 58.3794 28.5771 177.5420 238 P 4.2071 0.0000 0.0000 65.6993 31.4387 178.3163 239 L 3.7888 7.2349 116.7515 57.4921 41.4712 179.5047 240 L 4.2971 8.6922 119.3075 57.9182 41.5422 179.4126 241 Q 4.1082 8.2164 119.4625 59.2665 28.9710 178.2299 242 S 4.1211 8.4089 116.3257 61.7784 62.9351 176.4422 243 A 4.0700 8.1625 123.2466 55.4415 17.9180 179.5299 244 Q 3.9704 8.4065 117.9807 59.2235 28.9531 178.2093 245 L 4.0890 8.4420 119.2814 58.4063 41.9102 179.5611 246 T 4.1539 8.2001 113.7220 64.1433 68.4125 175.3482 247 G 3.9046 7.6102 108.7246 46.4000 0.0000 173.8588 248 M 4.3343 7.8580 118.3482 55.3666 33.1007 176.2951 249 T 4.4560 8.4661 117.9658 63.1926 70.0540 174.3186 250 V 4.7043 8.5754 119.9077 59.7594 35.2973 175.1237 251 T 4.8239 8.1183 119.3995 61.7764 71.6006 173.2829 252 I 3.9299 8.0680 128.4379 60.5203 38.4525 175.0964 253 I 4.8641 7.6580 127.7672 59.7027 39.3088 174.8567 254 S 4.4258 8.3843 120.4311 58.1367 65.4770 174.2811 255 N 4.5232 8.8966 118.6785 54.3794 38.8548 175.7021 256 T 4.5061 7.7999 107.9991 60.2727 69.9935 174.3827 257 C 4.8819 8.7453 123.0653 56.3686 35.2899 174.1175 258 S 4.4075 7.8051 116.0781 57.4553 63.4856 173.4772 259 S 3.6979 8.4253 117.3099 60.4114 62.2493 174.6608 260 G 4.0576 9.2080 116.4437 45.1463 0.0000 173.7141 261 S 4.6669 7.7820 115.7647 58.0675 64.3859 174.0491 262 G 2.9915 8.3609 109.3159 45.4246 0.0000 172.7607 263 F 4.9905 7.7576 114.5401 55.2678 41.1204 174.4621 264 A 4.3231 8.3114 119.7078 51.9422 20.7344 175.3197 265 E 4.8980 8.1790 118.8822 55.4660 33.1702 174.6799 266 V 4.7295 8.2907 124.5601 60.4693 34.6386 173.0466 267 Q 4.4986 8.4854 124.7282 54.4664 31.3285 174.0555 268 F 5.0340 8.8045 124.3875 55.9538 41.0206 175.1897 269 N 4.6607 9.1276 121.3859 53.2510 38.2238 175.2247 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 201 A 8.12 4.07 1.29 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 *203 D 8.53 4.39 0.00 2.52 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 0.00 204 C 8.86 4.51 0.00 2.46 2.97 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 0.00 0.00 0.00 205 A 7.38 4.78 1.11 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 0.00 0.00 0.00 206 K 8.04 4.80 0.00 1.41 1.58 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.30 7.81 207 G 7.70 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 0.00 0.00 0.00 208 K 7.96 4.60 0.00 1.77 1.76 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.41 7.81 209 I 8.08 4.11 1.92 0.00 0.00 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 1.30 0.49 0.95 0.00 0.00 210 E 9.25 4.29 0.00 1.95 1.91 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 2.47 2.32 0.00 211 F 7.36 5.12 0.00 3.08 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 0.00 212 S 8.90 5.17 0.00 3.48 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 K 8.46 4.61 0.00 1.95 1.69 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.43 7.81 214 Y 8.85 4.87 0.00 3.39 2.99 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 0.00 215 N 8.51 4.89 0.00 2.79 2.65 0.00 0.00 6.23 7.63 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 0.00 216 E 8.80 4.04 0.00 1.96 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 2.30 2.34 0.00 217 D 7.93 4.57 0.00 2.73 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 0.00 218 N 7.96 4.03 0.00 2.93 3.05 0.00 0.00 6.86 7.09 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 0.00 219 T 7.82 4.64 4.60 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 1.23 0.00 0.00 220 F 9.21 5.31 0.00 3.16 3.04 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 0.00 221 T 8.42 5.35 4.25 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 0.00 0.00 0.00 1.32 0.00 0.00 222 V 9.06 4.75 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 0.88 0.00 0.00 0.94 0.00 0.00 223 K 8.18 4.74 0.00 0.79 0.81 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.13 1.26 7.81 224 V 8.34 4.51 2.04 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 0.84 0.00 0.00 0.82 0.00 0.00 225 S 9.78 3.78 0.00 4.03 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 G 8.43 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 227 R 7.79 4.62 0.00 1.76 1.37 0.00 3.09 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 228 E 8.25 5.03 0.00 1.81 1.77 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 2.08 2.18 0.00 229 Y 8.87 5.33 0.00 2.61 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 0.00 230 W 8.72 5.76 0.00 3.64 3.25 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 0.00 0.00 0.00 0.00 231 T 9.29 4.65 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 1.18 0.00 0.00 232 N 8.69 4.99 0.00 2.97 3.13 0.00 0.00 6.13 7.66 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 0.00 233 R 7.75 4.22 0.00 1.78 1.84 0.00 3.26 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 234 W 8.87 4.27 0.00 3.74 3.48 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 0.00 0.00 0.00 235 N 7.09 3.45 0.00 2.51 2.54 0.00 0.00 7.18 6.74 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 0.00 236 L 7.54 4.16 0.00 1.80 1.78 0.87 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 237 Q 7.74 3.24 0.00 2.09 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 1.61 2.24 0.00 238 P 0.00 4.21 0.00 2.18 2.24 0.00 3.59 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 2.01 1.91 0.00 239 L 7.23 3.79 0.00 1.83 1.41 0.84 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 240 L 8.69 4.30 0.00 2.01 2.09 1.33 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 241 Q 8.22 4.11 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 242 S 8.41 4.12 0.00 3.95 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 0.00 243 A 8.16 4.07 1.68 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 0.00 0.00 244 Q 8.41 3.97 0.00 2.25 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 245 L 8.44 4.09 0.00 1.78 1.75 0.95 1.14 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 0.00 246 T 8.20 4.15 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 0.00 247 G 7.61 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 248 M 7.86 4.33 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 249 T 8.47 4.46 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 1.18 0.00 0.00 250 V 8.58 4.70 1.76 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 0.81 0.00 0.00 0.83 0.00 0.00 251 T 8.12 4.82 4.07 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 1.07 0.00 0.00 252 I 8.07 3.93 1.04 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.29 -0.36 0.00 0.00 253 I 7.66 4.86 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.60 0.94 0.00 0.00 254 S 8.38 4.43 0.00 3.82 3.63 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 0.00 255 N 8.90 4.52 0.00 2.75 2.85 0.00 0.00 6.69 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 256 T 7.80 4.51 4.29 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 1.24 0.00 0.00 257 C 8.75 4.88 0.00 3.01 3.21 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 0.00 258 S 7.81 4.41 0.00 4.01 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 0.00 259 S 8.43 3.70 0.00 3.69 3.75 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 0.00 260 G 9.21 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 0.00 0.00 0.00 0.00 261 S 7.78 4.67 0.00 4.07 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 262 G 8.36 2.99 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 0.00 263 F 7.76 4.99 0.00 3.00 2.76 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 0.00 264 A 8.31 4.32 1.10 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 0.00 0.00 265 E 8.18 4.90 0.00 1.99 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 2.23 2.27 0.00 266 V 8.29 4.73 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.27 0.00 0.00 267 Q 8.49 4.50 0.00 2.06 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 268 F 8.80 5.03 0.00 2.90 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 0.00 269 N 9.13 4.66 0.00 2.66 2.71 0.00 0.00 6.91 7.23 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 * Residues marked with a * may have inaccurate shift predictions.