============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. PHE 25 1.000 40.097 -3.591 69.697 -99.200 -91.000 TYR 33 0.840 37.742 -1.391 64.789 -99.200 -91.000 PHE 35 1.000 34.301 8.023 70.387 -99.200 -91.000 TYR 45 0.840 28.654 1.055 85.209 -99.200 -91.000 PHE 50 1.000 32.729 11.202 75.993 -99.200 -91.000 PHE 84 1.000 26.500 2.731 24.874 -99.200 -91.000 TYR 88 0.840 21.428 2.508 19.348 -99.200 -91.000 PHE 91 1.000 25.843 4.710 14.060 -99.200 -91.000 TYR 94 0.840 25.726 8.769 9.778 -99.200 -91.000 HIS 110 0.900 14.909 2.385 -9.286 -99.200 -91.000