============================================================================= 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. PHE 10 1.000 -13.271 42.200 41.507 -99.200 -91.000 TYR 25 0.840 -23.759 32.308 24.870 -99.200 -91.000 TRP 26 1.040 -27.745 22.960 26.244 -99.200 -91.000 TRP6 26 1.020 -25.755 22.138 25.267 -99.200 -91.000 HIS 28 0.900 -30.768 32.744 24.073 -99.200 -91.000 PHE 29 1.000 -28.413 22.884 20.907 -99.200 -91.000 TRP 35 1.040 -38.163 29.287 17.968 -99.200 -91.000 TRP6 35 1.020 -36.724 30.872 18.978 -99.200 -91.000 HIS 54 0.900 -14.341 31.607 28.232 -99.200 -91.000 PHE 64 1.000 -1.764 28.071 42.358 -99.200 -91.000 HIS 68 0.900 -13.253 26.464 50.428 -99.200 -91.000 HIS 95 0.900 -22.676 45.422 25.268 -99.200 -91.000 TYR 101 0.840 -15.543 38.240 32.389 -99.200 -91.000 TYR 107 0.840 -8.500 43.779 44.342 -99.200 -91.000 PHE 120 1.000 -10.830 38.170 36.378 -99.200 -91.000 HIS 130 0.900 -17.970 34.437 22.854 -99.200 -91.000 PHE 133 1.000 -21.290 35.115 15.511 -99.200 -91.000 TYR 141 0.840 -33.211 39.339 12.894 -99.200 -91.000 PHE 149 1.000 -30.037 36.180 11.356 -99.200 -91.000