============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 6 1.000 48.511 20.324 9.426 -99.200 -91.000 PHE 8 1.000 45.074 12.093 4.988 -99.200 -91.000 TYR 24 0.840 35.380 -4.543 -5.634 -99.200 -91.000 PHE 30 1.000 28.671 3.813 7.455 -99.200 -91.000 TYR 47 0.840 39.562 6.123 34.309 -99.200 -91.000 PHE 63 1.000 24.453 13.777 22.907 -99.200 -91.000 PHE 104 1.000 42.338 -3.169 7.610 -99.200 -91.000 PHE 120 1.000 44.854 -6.017 11.773 -99.200 -91.000 PHE 124 1.000 38.531 9.121 10.684 -99.200 -91.000 TYR 125 0.840 42.290 6.683 8.333 -99.200 -91.000 PHE 128 1.000 38.155 8.583 3.588 -99.200 -91.000 TYR 146 0.840 41.260 24.482 16.205 -99.200 -91.000 TRP 148 1.040 41.575 15.609 9.782 -99.200 -91.000 TRP6 148 1.020 40.324 13.960 8.618 -99.200 -91.000 PHE 156 1.000 45.590 16.078 7.886 -99.200 -91.000 PHE 176 1.000 30.230 16.837 3.256 -99.200 -91.000 TYR 184 0.840 24.795 2.183 4.372 -99.200 -91.000 HIS 197 0.900 26.559 -6.131 11.670 -99.200 -91.000 PHE 200 1.000 26.086 -7.625 23.559 -99.200 -91.000 TYR 203 0.840 28.901 5.622 26.841 -99.200 -91.000