============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 2 1.000 67.596 12.352 12.371 -99.200 -91.000 TYR 12 0.840 55.845 -12.136 18.924 -99.200 -91.000 TYR 28 0.840 33.817 -20.025 16.118 -99.200 -91.000 PHE 75 1.000 35.993 -5.415 23.588 -99.200 -91.000 TYR 76 0.840 36.901 -13.376 22.269 -99.200 -91.000 PHE 79 1.000 45.316 -5.104 22.428 -99.200 -91.000 PHE 110 1.000 45.705 11.102 11.509 -99.200 -91.000 TYR 111 0.840 47.458 5.638 15.755 -99.200 -91.000 TRP 129 1.040 30.798 -10.344 -9.015 -99.200 -91.000 TRP6 129 1.020 32.630 -8.855 -9.064 -99.200 -91.000 PHE 161 1.000 56.795 -9.357 -18.660 -99.200 -91.000 HIS 176 0.900 56.309 -27.565 -1.309 -99.200 -91.000 PHE 188 1.000 59.554 -20.499 8.884 -99.200 -91.000 PHE 234 1.000 43.538 -20.769 -12.992 -99.200 -91.000 PHE 274 1.000 56.952 2.499 7.037 -99.200 -91.000 PHE 277 1.000 52.557 0.576 1.552 -99.200 -91.000 PHE 312 1.000 65.060 -7.608 -2.356 -99.200 -91.000 PHE 318 1.000 48.977 -17.364 -9.456 -99.200 -91.000 PHE 322 1.000 59.779 -16.075 -5.605 -99.200 -91.000 TYR 324 0.840 58.664 -9.676 -15.168 -99.200 -91.000 HIS 347 0.900 48.638 -14.776 -0.598 -99.200 -91.000 HIS 362 0.900 60.868 -12.257 15.207 -99.200 -91.000 PHE 373 1.000 68.953 0.193 4.675 -99.200 -91.000 PHE 390 1.000 59.109 -3.238 7.211 -99.200 -91.000