============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 4 1.000 -13.873 18.337 -17.153 -99.200 -91.000 TYR 18 0.840 -25.815 4.629 -15.235 -99.200 -91.000 TYR 24 0.840 -35.499 10.077 -11.209 -99.200 -91.000 TYR 25 0.840 -35.061 4.088 -17.837 -99.200 -91.000 HIS 31 0.900 -26.624 13.721 -20.538 -99.200 -91.000 PHE 67 1.000 -17.407 14.251 -16.535 -99.200 -91.000 TYR 88 0.840 -17.871 28.569 -8.673 -99.200 -91.000 PHE 104 1.000 -22.275 15.970 -13.505 -99.200 -91.000 PHE 114 1.000 -27.730 20.602 0.588 -99.200 -91.000 TRP 126 1.040 -13.153 26.679 5.788 -99.200 -91.000 TRP6 126 1.020 -14.362 27.366 3.871 -99.200 -91.000 TRP 138 1.040 -25.715 15.355 -1.503 -99.200 -91.000 TRP6 138 1.020 -24.014 16.541 -0.361 -99.200 -91.000 TYR 139 0.840 -24.124 12.229 5.866 -99.200 -91.000 PHE 153 1.000 -18.914 22.230 -0.579 -99.200 -91.000 TRP 158 1.040 -8.006 18.247 -5.158 -99.200 -91.000 TRP6 158 1.020 -10.207 18.127 -5.997 -99.200 -91.000 TYR 161 0.840 -13.508 13.208 -4.369 -99.200 -91.000