============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 5 1.000 21.448 40.423 27.028 -99.200 -91.000 PHE 29 1.000 24.854 41.208 35.038 -99.200 -91.000 PHE 55 1.000 57.720 30.526 30.364 -99.200 -91.000 PHE 74 1.000 53.231 27.840 23.159 -99.200 -91.000 PHE 89 1.000 54.073 13.993 15.097 -99.200 -91.000 PHE 91 1.000 46.655 16.759 18.950 -99.200 -91.000 PHE 98 1.000 43.472 25.600 32.812 -99.200 -91.000 PHE 155 1.000 36.852 9.848 19.593 -99.200 -91.000 PHE 162 1.000 35.145 21.677 25.247 -99.200 -91.000 TRP 174 1.040 17.968 14.920 32.293 -99.200 -91.000 TRP6 174 1.020 16.012 16.110 31.631 -99.200 -91.000 PHE 187 1.000 23.445 29.694 21.394 -99.200 -91.000 TYR 213 0.840 38.454 20.055 34.456 -99.200 -91.000