============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 4 1.000 -4.241 7.869 7.209 -99.200 -91.000 TYR 7 0.840 7.219 9.821 3.746 -99.200 -91.000 TYR 14 0.840 10.769 2.343 9.322 -99.200 -91.000 PHE 15 1.000 6.339 6.098 9.808 -99.200 -91.000 PHE 19 1.000 0.428 -0.407 6.859 -99.200 -91.000 PHE 23 1.000 3.361 2.314 11.430 -99.200 -91.000 TRP 25 1.040 3.336 5.621 17.177 -99.200 -91.000 TRP6 25 1.020 2.972 6.695 19.255 -99.200 -91.000 TYR 31 0.840 3.957 17.931 27.949 -99.200 -91.000 PHE 36 1.000 9.622 13.241 32.761 -99.200 -91.000 HIS 40 0.900 4.023 -0.450 22.124 -99.200 -91.000 TYR 51 0.840 -3.983 4.298 13.735 -99.200 -91.000 PHE 60 1.000 1.671 15.724 32.118 -99.200 -91.000 TRP 74 1.040 -0.502 19.735 21.028 -99.200 -91.000 TRP6 74 1.020 1.261 19.854 22.605 -99.200 -91.000 TYR 82 0.840 18.590 11.122 13.768 -99.200 -91.000 HIS 103 0.900 3.202 29.874 22.135 -99.200 -91.000 HIS 109 0.900 13.630 12.776 24.182 -99.200 -91.000 TYR 112 0.840 8.167 7.532 14.397 -99.200 -91.000 PHE 126 1.000 18.370 15.135 9.850 -99.200 -91.000 HIS 127 0.900 12.564 11.699 6.516 -99.200 -91.000 PHE 128 1.000 14.807 19.023 8.149 -99.200 -91.000 HIS 131 0.900 4.242 15.567 12.205 -99.200 -91.000 HIS 143 0.900 -18.725 12.127 22.558 -99.200 -91.000 TYR 144 0.840 -11.615 15.990 23.994 -99.200 -91.000 TYR 147 0.840 -6.739 18.869 8.951 -99.200 -91.000 TYR 154 0.840 15.671 14.754 1.139 -99.200 -91.000 HIS 163 0.900 25.855 18.471 2.316 -99.200 -91.000 HIS 164 0.900 19.204 14.462 -0.497 -99.200 -91.000