============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. PHE 2 1.000 2.120 39.358 262.297 -99.200 -91.000 TYR 18 0.840 4.691 48.000 248.472 -99.200 -91.000 HIS 52 0.900 15.707 46.416 245.512 -99.200 -91.000 PHE 54 1.000 13.212 41.155 242.400 -99.200 -91.000 HIS 61 0.900 9.690 23.673 228.637 -99.200 -91.000 HIS 63 0.900 11.952 18.843 229.795 -99.200 -91.000 PHE 64 1.000 13.279 19.881 238.601 -99.200 -91.000 TRP 72 1.040 19.774 11.439 231.847 -99.200 -91.000 TRP6 72 1.020 18.360 11.797 229.980 -99.200 -91.000 PHE 75 1.000 10.018 15.262 240.797 -99.200 -91.000 TYR 90 0.840 9.206 21.718 240.799 -99.200 -91.000 PHE 91 1.000 3.074 25.379 236.382 -99.200 -91.000 TYR 122 0.840 4.991 18.837 244.650 -99.200 -91.000 PHE 124 1.000 3.813 16.375 239.570 -99.200 -91.000 TRP 125 1.040 3.950 21.587 231.976 -99.200 -91.000 TRP6 125 1.020 2.431 22.734 230.587 -99.200 -91.000 HIS 135 0.900 -4.575 6.188 229.361 -99.200 -91.000 HIS 140 0.900 -9.197 19.162 233.872 -99.200 -91.000 PHE 147 1.000 -4.153 17.536 229.514 -99.200 -91.000 PHE 150 1.000 9.128 17.401 222.534 -99.200 -91.000 PHE 159 1.000 6.189 13.400 225.587 -99.200 -91.000 PHE 161 1.000 6.243 12.680 214.829 -99.200 -91.000 HIS 163 0.900 -0.170 10.970 214.015 -99.200 -91.000 HIS 184 0.900 10.573 20.935 220.551 -99.200 -91.000 TYR 209 0.840 21.677 21.664 216.591 -99.200 -91.000 PHE 228 1.000 -3.559 21.009 213.013 -99.200 -91.000 HIS 237 0.900 3.404 28.472 227.126 -99.200 -91.000 HIS 240 0.900 11.205 24.836 223.585 -99.200 -91.000 HIS 267 0.900 18.090 28.120 226.826 -99.200 -91.000 TYR 268 0.840 16.148 29.407 222.690 -99.200 -91.000 PHE 271 1.000 24.930 31.295 226.939 -99.200 -91.000 PHE 276 1.000 25.090 26.121 219.472 -99.200 -91.000 TYR 281 0.840 30.211 18.923 220.857 -99.200 -91.000 TRP 299 1.040 17.826 40.655 225.021 -99.200 -91.000 TRP6 299 1.020 16.933 40.912 227.196 -99.200 -91.000 HIS 314 0.900 17.549 22.201 234.945 -99.200 -91.000 PHE 328 1.000 23.851 18.164 212.591 -99.200 -91.000 TRP 331 1.040 19.152 13.770 224.927 -99.200 -91.000 TRP6 331 1.020 18.754 15.463 226.525 -99.200 -91.000 TYR 349 0.840 17.720 47.012 237.425 -99.200 -91.000 HIS 350 0.900 22.261 45.404 237.423 -99.200 -91.000 PHE 371 1.000 0.679 27.457 232.049 -99.200 -91.000 TYR 374 0.840 -2.560 37.644 239.498 -99.200 -91.000 PHE 388 1.000 7.206 36.554 250.910 -99.200 -91.000 TYR 397 0.840 26.292 36.032 241.141 -99.200 -91.000 TYR 405 0.840 22.876 24.992 246.133 -99.200 -91.000 TYR 406 0.840 22.015 23.495 237.513 -99.200 -91.000 HIS 408 0.900 25.106 14.346 236.243 -99.200 -91.000 TYR 413 0.840 22.542 30.004 231.453 -99.200 -91.000 PHE 418 1.000 24.903 34.552 235.602 -99.200 -91.000 HIS 424 0.900 18.008 35.448 253.564 -99.200 -91.000 HIS 431 0.900 15.178 31.934 255.580 -99.200 -91.000 TYR 433 0.840 19.880 29.560 248.463 -99.200 -91.000 HIS 436 0.900 29.030 32.004 252.481 -99.200 -91.000