============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 2 1.000 -48.544 20.645 5.522 -99.200 -91.000 HIS 27 0.900 -62.225 29.863 -1.323 -99.200 -91.000 HIS 36 0.900 -53.115 44.547 -5.155 -99.200 -91.000 PHE 55 1.000 -63.391 40.340 3.605 -99.200 -91.000 PHE 57 1.000 -59.526 43.836 1.017 -99.200 -91.000 PHE 96 1.000 -26.100 49.389 -15.117 -99.200 -91.000 TRP 104 1.040 -32.877 51.675 -9.581 -99.200 -91.000 TRP6 104 1.020 -31.576 49.708 -9.425 -99.200 -91.000 PHE 116 1.000 -40.744 50.408 4.700 -99.200 -91.000 HIS 124 0.900 -46.689 46.827 16.953 -99.200 -91.000 TYR 152 0.840 -38.173 40.434 -11.387 -99.200 -91.000 PHE 162 1.000 -39.048 44.035 4.306 -99.200 -91.000 PHE 184 1.000 -37.045 32.005 -16.213 -99.200 -91.000 TYR 211 0.840 -43.554 23.996 4.509 -99.200 -91.000 TYR 219 0.840 -37.719 26.063 15.218 -99.200 -91.000 HIS 226 0.900 -33.893 29.301 -4.029 -99.200 -91.000