============================================================================= 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 3 1.000 -0.446 11.034 11.476 -99.200 -91.000 PHE 6 1.000 -0.953 11.093 18.548 -99.200 -91.000 HIS 17 0.900 -0.941 20.755 5.161 -99.200 -91.000 PHE 55 1.000 8.642 0.623 10.590 -99.200 -91.000 HIS 98 0.900 14.295 14.857 10.410 -99.200 -91.000 TYR 105 0.840 18.170 -3.170 -2.691 -99.200 -91.000 TYR 110 0.840 28.137 -8.121 -1.134 -99.200 -91.000 TYR 134 0.840 27.027 -3.986 2.076 -99.200 -91.000 PHE 161 1.000 16.616 -13.292 4.992 -99.200 -91.000 PHE 181 1.000 5.498 -2.100 14.086 -99.200 -91.000 TRP 188 1.040 13.793 -16.629 15.885 -99.200 -91.000 TRP6 188 1.020 13.263 -14.775 14.535 -99.200 -91.000 TYR 196 0.840 18.446 -10.166 20.647 -99.200 -91.000