============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. PHE 6 1.000 -26.691 3.388 3.176 -99.200 -91.000 PHE 14 1.000 -32.189 -4.543 3.008 -99.200 -91.000 PHE 19 1.000 -36.046 4.479 14.724 -99.200 -91.000 PHE 40 1.000 -40.735 1.235 6.117 -99.200 -91.000 PHE 89 1.000 -25.731 -1.394 13.867 -99.200 -91.000 TYR 102 0.840 -29.389 17.549 7.502 -99.200 -91.000 TRP 111 1.040 -25.435 -6.425 5.968 -99.200 -91.000 TRP6 111 1.020 -25.402 -4.098 5.484 -99.200 -91.000