============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 3 1.000 19.015 -17.411 14.778 -99.200 -91.000 PHE 30 1.000 12.609 -5.184 3.561 -99.200 -91.000 PHE 37 1.000 13.402 -13.913 2.051 -99.200 -91.000 HIS 45 0.900 23.076 7.428 -2.452 -99.200 -91.000 TRP 48 1.040 14.861 7.436 3.019 -99.200 -91.000 TRP6 48 1.020 14.267 9.698 3.331 -99.200 -91.000 TYR 55 0.840 7.904 4.269 -1.910 -99.200 -91.000 HIS 66 0.900 19.356 10.166 -2.603 -99.200 -91.000 PHE 70 1.000 19.990 -1.162 -1.390 -99.200 -91.000 PHE 89 1.000 21.605 -7.587 10.514 -99.200 -91.000 PHE 102 1.000 18.406 -7.093 16.731 -99.200 -91.000 TYR 106 0.840 24.847 -13.458 6.126 -99.200 -91.000