============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 2 1.000 0.609 35.380 24.215 -99.200 -91.000 TYR 39 0.840 -0.365 11.679 -19.223 -99.200 -91.000 HIS 54 0.900 0.073 19.117 -9.069 -99.200 -91.000 TYR 60 0.840 10.675 18.571 -2.437 -99.200 -91.000 TYR 71 0.840 9.385 23.221 13.420 -99.200 -91.000 PHE 79 1.000 0.123 27.573 25.002 -99.200 -91.000 TRP 100 1.040 10.266 32.022 6.191 -99.200 -91.000 TRP6 100 1.020 9.574 30.294 4.725 -99.200 -91.000 TYR 123 0.840 7.996 34.837 22.481 -99.200 -91.000 TYR 127 0.840 11.266 36.015 17.222 -99.200 -91.000 HIS 145 0.900 14.971 22.558 -1.187 -99.200 -91.000 TYR 160 0.840 8.769 12.312 -6.958 -99.200 -91.000 TYR 168 0.840 0.705 3.260 -10.270 -99.200 -91.000 TYR 172 0.840 12.820 6.028 -16.827 -99.200 -91.000