============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 12 1.000 -9.331 3.160 0.519 -99.200 -91.000 PHE 14 1.000 -7.747 0.191 5.654 -99.200 -91.000 TRP 25 1.040 9.460 7.077 1.974 -99.200 -91.000 TRP6 25 1.020 11.134 7.688 0.412 -99.200 -91.000 HIS 41 0.900 8.644 0.025 -2.443 -99.200 -91.000 TYR 46 0.840 14.872 3.983 2.397 -99.200 -91.000 PHE 51 1.000 10.808 5.786 7.131 -99.200 -91.000 HIS 75 0.900 7.776 -12.465 3.984 -99.200 -91.000 TYR 78 0.840 12.192 -5.843 0.454 -99.200 -91.000 TYR 102 0.840 -7.443 -0.218 15.277 -99.200 -91.000 TRP 123 1.040 -2.468 11.699 1.302 -99.200 -91.000 TRP6 123 1.020 -2.824 9.816 2.686 -99.200 -91.000 TYR 154 0.840 4.930 -5.438 -15.099 -99.200 -91.000 PHE 164 1.000 -3.446 -7.886 -5.441 -99.200 -91.000 TRP 197 1.040 6.685 -4.884 -8.464 -99.200 -91.000 TRP6 197 1.020 7.229 -5.444 -10.695 -99.200 -91.000 TYR 206 0.840 4.845 -2.489 -19.841 -99.200 -91.000 TYR 210 0.840 -1.796 -2.707 -6.639 -99.200 -91.000 PHE 219 1.000 6.232 -9.907 7.882 -99.200 -91.000 TYR 223 0.840 7.493 -10.657 13.122 -99.200 -91.000