============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 2 0.900 -16.487 -42.180 29.478 -99.200 -91.000 HIS 4 0.900 -16.755 -41.103 37.044 -99.200 -91.000 HIS 20 0.900 -40.416 -29.578 43.057 -99.200 -91.000 PHE 57 1.000 -39.455 -8.866 71.819 -99.200 -91.000 TYR 58 0.840 -36.861 -7.257 63.350 -99.200 -91.000 PHE 79 1.000 -25.129 -13.982 61.020 -99.200 -91.000 HIS 80 0.900 -23.445 -20.249 63.318 -99.200 -91.000 TYR 84 0.840 -26.661 -23.361 65.879 -99.200 -91.000 PHE 93 1.000 -35.721 -17.352 67.457 -99.200 -91.000 TYR 137 0.840 -24.852 -23.856 59.335 -99.200 -91.000 PHE 144 1.000 -34.224 -22.327 52.665 -99.200 -91.000 TRP 147 1.040 -22.032 -17.920 47.739 -99.200 -91.000 TRP6 147 1.020 -20.265 -18.942 48.940 -99.200 -91.000 HIS 156 0.900 -14.662 1.021 31.755 -99.200 -91.000 TYR 173 0.840 -24.535 -21.774 47.886 -99.200 -91.000 HIS 196 0.900 -28.565 0.178 35.826 -99.200 -91.000 TYR 203 0.840 -26.012 -7.105 26.786 -99.200 -91.000 TYR 213 0.840 -29.573 -21.396 35.898 -99.200 -91.000 HIS 219 0.900 -18.101 -25.914 39.361 -99.200 -91.000 HIS 220 0.900 -19.964 -32.878 36.878 -99.200 -91.000 TYR 222 0.840 -31.776 -33.234 41.028 -99.200 -91.000 HIS 237 0.900 -32.552 4.237 44.240 -99.200 -91.000 TYR 243 0.840 -37.930 2.042 31.765 -99.200 -91.000 HIS 245 0.900 -45.627 -1.078 39.357 -99.200 -91.000 PHE 269 1.000 -38.412 -12.618 40.296 -99.200 -91.000 TRP 295 1.040 -38.301 -21.466 35.223 -99.200 -91.000 TRP6 295 1.020 -38.925 -19.385 34.287 -99.200 -91.000 PHE 299 1.000 -43.144 -14.111 49.390 -99.200 -91.000 TYR 301 0.840 -40.275 -9.713 47.953 -99.200 -91.000 TRP 313 1.040 -39.863 -4.322 68.407 -99.200 -91.000 TRP6 313 1.020 -37.572 -4.711 67.962 -99.200 -91.000 TYR 327 0.840 -43.799 -11.855 58.826 -99.200 -91.000 TYR 342 0.840 -50.824 -6.818 46.645 -99.200 -91.000 PHE 357 1.000 -30.257 2.329 46.037 -99.200 -91.000 HIS 361 0.900 -29.097 -5.200 51.380 -99.200 -91.000 TYR 363 0.840 -28.405 -9.834 52.646 -99.200 -91.000