============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 3 1.000 -10.250 21.674 34.390 -99.200 -91.000 TRP 12 1.040 -16.228 28.870 36.117 -99.200 -91.000 TRP6 12 1.020 -17.291 26.788 36.068 -99.200 -91.000 PHE 24 1.000 -3.271 20.281 45.983 -99.200 -91.000 PHE 36 1.000 -2.352 26.075 43.756 -99.200 -91.000 TYR 39 0.840 -9.041 27.404 32.242 -99.200 -91.000 HIS 45 0.900 -11.082 37.988 35.786 -99.200 -91.000 TYR 47 0.840 -4.866 36.537 42.414 -99.200 -91.000 TRP 58 1.040 -11.101 21.383 54.072 -99.200 -91.000 TRP6 58 1.020 -9.485 20.212 52.830 -99.200 -91.000 TYR 68 0.840 -6.444 36.122 36.682 -99.200 -91.000 TYR 94 0.840 -1.188 19.344 51.579 -99.200 -91.000 TYR 101 0.840 -13.882 39.170 44.869 -99.200 -91.000 PHE 122 1.000 0.472 17.201 41.659 -99.200 -91.000 PHE 124 1.000 -5.599 17.503 40.112 -99.200 -91.000 TYR 146 0.840 4.974 19.105 40.169 -99.200 -91.000 TYR 147 0.840 10.746 23.099 44.353 -99.200 -91.000