============================================================================= 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 47.660 -18.209 -5.673 -99.200 -91.000 PHE 17 1.000 45.331 -23.484 -5.805 -99.200 -91.000 HIS 42 0.900 49.328 -15.552 6.820 -99.200 -91.000 TYR 46 0.840 45.412 -18.650 8.410 -99.200 -91.000 HIS 50 0.900 35.356 -15.357 -1.038 -99.200 -91.000 TRP 84 1.040 53.409 -19.151 -18.371 -99.200 -91.000 TRP6 84 1.020 52.902 -19.499 -16.077 -99.200 -91.000 PHE 99 1.000 51.765 -8.072 -17.470 -99.200 -91.000 HIS 108 0.900 51.239 -14.796 -19.253 -99.200 -91.000 TYR 138 0.840 38.344 -21.508 -27.801 -99.200 -91.000 HIS 143 0.900 38.433 -17.137 -31.667 -99.200 -91.000 HIS 144 0.900 46.483 -19.952 -30.474 -99.200 -91.000 PHE 159 1.000 19.970 -9.253 -15.901 -99.200 -91.000 HIS 164 0.900 17.485 -8.689 -28.297 -99.200 -91.000 PHE 167 1.000 9.832 -11.197 -21.852 -99.200 -91.000 HIS 178 0.900 32.038 -4.167 -8.504 -99.200 -91.000 TYR 180 0.840 36.156 -2.436 0.068 -99.200 -91.000 HIS 191 0.900 42.322 4.786 -9.997 -99.200 -91.000 TYR 274 0.840 12.839 -16.466 -10.321 -99.200 -91.000 TYR 284 0.840 22.414 -13.577 -3.683 -99.200 -91.000 TRP 311 1.040 21.071 -10.176 -5.011 -99.200 -91.000 TRP6 311 1.020 22.005 -8.473 -3.659 -99.200 -91.000 TYR 312 0.840 27.970 -8.527 -10.288 -99.200 -91.000 TYR 318 0.840 35.835 -12.736 -14.426 -99.200 -91.000 HIS 320 0.900 33.564 -21.261 -8.380 -99.200 -91.000 TYR 328 0.840 33.442 -24.304 -24.747 -99.200 -91.000