============================================================================= 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 5 1.000 0.636 39.917 -6.845 -99.200 -91.000 PHE 10 1.000 0.188 44.772 -11.535 -99.200 -91.000 TRP 17 1.040 -3.740 46.876 -2.291 -99.200 -91.000 TRP6 17 1.020 -1.646 47.077 -3.374 -99.200 -91.000 TRP 26 1.040 2.652 59.419 -0.320 -99.200 -91.000 TRP6 26 1.020 1.034 61.017 0.283 -99.200 -91.000 HIS 37 0.900 13.177 42.277 -2.066 -99.200 -91.000 PHE 42 1.000 1.429 41.663 -2.783 -99.200 -91.000 TYR 58 0.840 13.977 38.447 7.815 -99.200 -91.000 HIS 61 0.900 17.964 44.027 12.951 -99.200 -91.000 TYR 66 0.840 6.017 48.149 4.046 -99.200 -91.000 TYR 67 0.840 0.241 49.135 -0.974 -99.200 -91.000 HIS 71 0.900 -14.717 44.131 -1.426 -99.200 -91.000 PHE 74 1.000 -15.936 39.048 0.725 -99.200 -91.000 TYR 112 0.840 -1.259 46.324 13.184 -99.200 -91.000 TYR 117 0.840 2.070 43.219 15.553 -99.200 -91.000 HIS 119 0.900 3.919 54.149 20.803 -99.200 -91.000