============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 9 1.000 15.956 -18.737 17.307 -99.200 -91.000 PHE 17 1.000 17.744 -24.117 16.564 -99.200 -91.000 HIS 42 0.900 14.772 -13.874 5.454 -99.200 -91.000 TYR 46 0.840 18.429 -17.024 3.375 -99.200 -91.000 HIS 50 0.900 28.557 -16.279 13.246 -99.200 -91.000 TRP 84 1.040 9.951 -21.103 29.682 -99.200 -91.000 TRP6 84 1.020 10.446 -21.136 27.349 -99.200 -91.000 PHE 99 1.000 12.618 -10.161 30.324 -99.200 -91.000 HIS 108 0.900 12.509 -17.169 31.215 -99.200 -91.000 TYR 138 0.840 24.486 -26.239 38.842 -99.200 -91.000 HIS 143 0.900 24.622 -22.466 43.281 -99.200 -91.000 HIS 144 0.900 17.141 -24.268 41.955 -99.200 -91.000 PHE 159 1.000 44.221 -14.105 28.879 -99.200 -91.000 HIS 164 0.900 46.472 -15.676 41.240 -99.200 -91.000 PHE 167 1.000 53.970 -17.919 34.512 -99.200 -91.000 HIS 178 0.900 32.830 -6.799 22.364 -99.200 -91.000 TYR 180 0.840 29.022 -3.307 14.235 -99.200 -91.000 HIS 191 0.900 23.451 2.737 25.349 -99.200 -91.000 TYR 274 0.840 50.663 -20.971 22.252 -99.200 -91.000 TYR 284 0.840 41.562 -16.177 16.091 -99.200 -91.000 TRP 311 1.040 43.196 -13.193 17.945 -99.200 -91.000 TRP6 311 1.020 42.449 -11.204 16.885 -99.200 -91.000 TYR 312 0.840 36.412 -11.744 23.446 -99.200 -91.000 TYR 318 0.840 28.117 -15.834 26.873 -99.200 -91.000 HIS 320 0.900 29.673 -23.476 19.576 -99.200 -91.000 TYR 328 0.840 29.208 -28.974 35.383 -99.200 -91.000