============================================================================= 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 8 1.000 -80.171 3.606 22.896 -99.200 -91.000 HIS 12 0.900 -83.736 1.038 25.640 -99.200 -91.000 TYR 22 0.840 -79.905 -3.226 36.671 -99.200 -91.000 PHE 43 1.000 -82.466 -0.262 32.384 -99.200 -91.000 HIS 45 0.900 -75.707 -3.515 32.744 -99.200 -91.000 TYR 70 0.840 -77.034 1.058 11.193 -99.200 -91.000 TYR 73 0.840 -69.525 -5.454 12.533 -99.200 -91.000 TYR 89 0.840 -99.456 2.862 37.461 -99.200 -91.000 TYR 94 0.840 -90.561 -3.941 35.470 -99.200 -91.000 HIS 102 0.900 -73.098 -10.680 18.590 -99.200 -91.000 TYR 112 0.840 -77.373 6.776 11.226 -99.200 -91.000 HIS 116 0.900 -86.903 0.812 18.876 -99.200 -91.000 PHE 117 1.000 -81.681 -3.178 23.172 -99.200 -91.000