============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 7 1.000 33.005 -11.532 27.081 -99.200 -91.000 TYR 8 0.840 30.781 -20.594 21.576 -99.200 -91.000 PHE 28 1.000 19.815 -13.640 27.916 -99.200 -91.000 TYR 34 0.840 27.084 -18.394 24.782 -99.200 -91.000 TYR 44 0.840 14.580 5.013 28.453 -99.200 -91.000 TYR 56 0.840 14.633 -2.918 27.422 -99.200 -91.000 HIS 85 0.900 20.645 6.631 40.996 -99.200 -91.000 TYR 86 0.840 20.282 -1.759 35.401 -99.200 -91.000 HIS 90 0.900 29.010 -3.225 27.133 -99.200 -91.000 PHE 95 1.000 41.046 8.192 27.585 -99.200 -91.000 TRP 111 1.040 33.127 -4.864 29.665 -99.200 -91.000 TRP6 111 1.020 34.668 -6.636 29.569 -99.200 -91.000 TYR 124 0.840 50.964 6.790 16.931 -99.200 -91.000 TYR 160 0.840 39.709 1.369 16.236 -99.200 -91.000 PHE 161 1.000 30.940 5.092 16.974 -99.200 -91.000 HIS 167 0.900 39.393 4.720 9.693 -99.200 -91.000 TYR 171 0.840 39.343 -4.462 14.090 -99.200 -91.000 PHE 183 1.000 41.666 -2.694 28.222 -99.200 -91.000 PHE 196 1.000 29.671 -10.721 13.765 -99.200 -91.000 HIS 214 0.900 29.362 -2.331 21.045 -99.200 -91.000 TYR 216 0.840 25.380 -0.276 18.276 -99.200 -91.000 TYR 246 0.840 40.952 -17.796 13.918 -99.200 -91.000