============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 10 0.840 8.888 -13.149 16.279 -99.200 -91.000 HIS 13 0.900 16.028 -17.408 24.008 -99.200 -91.000 PHE 22 1.000 20.072 -16.334 17.317 -99.200 -91.000 TYR 26 0.840 5.915 -16.268 10.633 -99.200 -91.000 PHE 30 1.000 5.575 -13.522 1.222 -99.200 -91.000 HIS 31 0.900 0.375 -16.405 -4.430 -99.200 -91.000 HIS 51 0.900 16.546 -16.659 3.234 -99.200 -91.000 PHE 56 1.000 2.567 -24.302 -0.885 -99.200 -91.000 TRP 60 1.040 -4.013 -22.805 -1.824 -99.200 -91.000 TRP6 60 1.020 -2.953 -24.857 -2.320 -99.200 -91.000 PHE 62 1.000 4.620 -18.843 -2.100 -99.200 -91.000 TYR 63 0.840 5.432 -20.725 6.268 -99.200 -91.000 TYR 66 0.840 14.560 -12.646 5.231 -99.200 -91.000 TYR 67 0.840 17.732 -17.307 11.359 -99.200 -91.000 PHE 70 1.000 17.988 -8.309 19.452 -99.200 -91.000 TYR 78 0.840 18.487 -3.851 17.196 -99.200 -91.000 HIS 84 0.900 4.404 -9.291 -1.901 -99.200 -91.000 TRP 95 1.040 12.113 -6.090 19.316 -99.200 -91.000 TRP6 95 1.020 13.840 -5.659 20.878 -99.200 -91.000