============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 9 0.840 28.988 86.967 10.701 -99.200 -91.000 PHE 19 1.000 38.784 86.112 12.526 -99.200 -91.000 TYR 35 0.840 44.474 87.253 13.613 -99.200 -91.000 TYR 37 0.840 37.692 78.773 14.327 -99.200 -91.000 TYR 38 0.840 30.057 79.429 18.375 -99.200 -91.000 PHE 46 1.000 31.627 81.776 22.143 -99.200 -91.000 TYR 52 0.840 22.683 80.271 33.963 -99.200 -91.000 HIS 53 0.900 30.239 87.543 32.164 -99.200 -91.000 TYR 54 0.840 22.947 86.677 35.766 -99.200 -91.000 PHE 66 1.000 46.858 83.802 16.221 -99.200 -91.000 HIS 82 0.900 20.320 77.419 42.973 -99.200 -91.000 TYR 89 0.840 12.671 77.210 47.004 -99.200 -91.000 PHE 91 1.000 13.529 79.518 51.204 -99.200 -91.000 PHE 94 1.000 10.516 80.871 43.536 -99.200 -91.000 TRP 98 1.040 9.285 83.618 50.895 -99.200 -91.000 TRP6 98 1.020 8.974 81.568 49.764 -99.200 -91.000 HIS 101 0.900 14.123 85.545 54.004 -99.200 -91.000 TRP 121 1.040 39.617 72.013 18.470 -99.200 -91.000 TRP6 121 1.020 40.319 69.866 17.804 -99.200 -91.000 TYR 153 0.840 51.388 74.194 24.023 -99.200 -91.000 PHE 168 1.000 52.887 69.587 20.890 -99.200 -91.000 TRP 181 1.040 52.631 80.192 18.366 -99.200 -91.000 TRP6 181 1.020 50.616 80.782 17.332 -99.200 -91.000 TRP 182 1.040 50.357 83.031 22.731 -99.200 -91.000 TRP6 182 1.020 50.990 80.770 22.852 -99.200 -91.000 TRP 184 1.040 56.443 86.256 18.195 -99.200 -91.000 TRP6 184 1.020 57.089 84.351 16.990 -99.200 -91.000