============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. PHE 40 1.000 -0.272 38.438 24.802 -99.200 -91.000 PHE 42 1.000 -2.455 43.088 21.998 -99.200 -91.000 TYR 53 0.840 -7.067 31.821 25.913 -99.200 -91.000 PHE 54 1.000 -10.260 23.501 25.352 -99.200 -91.000 TYR 59 0.840 -7.435 38.637 28.893 -99.200 -91.000 PHE 70 1.000 -17.324 39.457 28.563 -99.200 -91.000 HIS 87 0.900 -14.022 25.303 27.689 -99.200 -91.000 HIS 90 0.900 -11.429 35.739 25.918 -99.200 -91.000 PHE 98 1.000 -4.166 46.281 24.606 -99.200 -91.000