============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 14 1.000 -39.689 48.217 67.838 -99.200 -91.000 PHE 18 1.000 -45.303 43.037 70.083 -99.200 -91.000 PHE 38 1.000 -24.769 54.049 61.488 -99.200 -91.000 TYR 48 0.840 -35.385 46.665 71.381 -99.200 -91.000 PHE 72 1.000 -42.421 41.770 73.997 -99.200 -91.000 TYR 74 0.840 -48.401 44.151 73.588 -99.200 -91.000 HIS 82 0.900 -37.634 47.902 76.086 -99.200 -91.000 PHE 84 1.000 -33.026 50.660 70.033 -99.200 -91.000 PHE 90 1.000 -19.867 66.789 60.981 -99.200 -91.000 TRP 100 1.040 -17.255 55.103 67.474 -99.200 -91.000 TRP6 100 1.020 -18.730 56.903 67.322 -99.200 -91.000 PHE 117 1.000 -42.371 47.223 72.965 -99.200 -91.000