============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. TYR 3 0.840 -7.814 -4.465 36.307 -99.200 -91.000 PHE 9 1.000 -0.324 -7.985 43.404 -99.200 -91.000 PHE 50 1.000 0.470 5.738 9.496 -99.200 -91.000 HIS 68 0.900 26.606 2.913 11.635 -99.200 -91.000 PHE 70 1.000 21.108 -2.926 8.488 -99.200 -91.000 TRP 98 1.040 9.295 10.259 17.372 -99.200 -91.000 TRP6 98 1.020 8.254 8.483 18.524 -99.200 -91.000