============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 9 1.000 24.086 45.124 -13.085 -99.200 -91.000 PHE 22 1.000 17.378 25.339 -5.554 -99.200 -91.000 TYR 26 0.840 23.015 21.056 -13.591 -99.200 -91.000 TRP 50 1.040 34.793 36.215 1.819 -99.200 -91.000 TRP6 50 1.020 34.429 38.512 1.388 -99.200 -91.000 PHE 67 1.000 20.149 24.610 6.583 -99.200 -91.000 PHE 69 1.000 7.893 24.209 9.675 -99.200 -91.000 PHE 83 1.000 29.591 28.314 9.547 -99.200 -91.000 TYR 89 0.840 42.640 39.309 14.704 -99.200 -91.000 TYR 96 0.840 46.425 44.505 4.276 -99.200 -91.000 TRP 115 1.040 46.114 52.467 9.590 -99.200 -91.000 TRP6 115 1.020 43.810 51.987 9.213 -99.200 -91.000 TYR 119 0.840 39.277 49.678 13.570 -99.200 -91.000 TYR 120 0.840 39.281 44.449 11.198 -99.200 -91.000 HIS 146 0.900 28.939 31.010 -13.866 -99.200 -91.000 TYR 148 0.840 24.418 26.492 -12.207 -99.200 -91.000 PHE 156 1.000 21.740 28.996 8.907 -99.200 -91.000 TYR 167 0.840 33.338 24.826 9.209 -99.200 -91.000 TYR 172 0.840 36.359 29.603 11.713 -99.200 -91.000 HIS 188 0.900 4.817 31.533 -5.244 -99.200 -91.000 PHE 201 1.000 17.062 62.098 -3.317 -99.200 -91.000