============================================================================= 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. PHE 29 1.000 29.923 -48.621 -24.843 -99.200 -91.000 TYR 32 0.840 31.159 -48.208 -13.127 -99.200 -91.000 TRP 36 1.040 24.692 -37.156 -12.092 -99.200 -91.000 TRP6 36 1.020 26.588 -35.762 -12.156 -99.200 -91.000 TRP 47 1.040 20.085 -41.476 -5.887 -99.200 -91.000 TRP6 47 1.020 17.970 -42.081 -6.706 -99.200 -91.000 PHE 55 1.000 18.848 -53.878 -18.695 -99.200 -91.000 TYR 60 0.840 15.394 -38.981 -13.790 -99.200 -91.000 PHE 64 1.000 16.311 -33.289 -6.358 -99.200 -91.000 PHE 75 1.000 30.209 -45.590 -28.782 -99.200 -91.000 TYR 80 0.840 27.372 -35.336 -20.836 -99.200 -91.000 TYR 93 0.840 23.899 -29.969 -7.619 -99.200 -91.000 TYR 94 0.840 30.038 -34.532 -3.150 -99.200 -91.000 HIS 98 0.900 24.419 -46.600 -7.579 -99.200 -91.000 TYR 101 0.840 21.947 -55.182 -13.126 -99.200 -91.000 TRP 110 1.040 30.583 -41.344 -2.952 -99.200 -91.000 TRP6 110 1.020 28.645 -40.076 -2.560 -99.200 -91.000 PHE 129 1.000 35.125 2.799 -2.781 -99.200 -91.000 TYR 145 0.840 33.498 -9.938 -3.621 -99.200 -91.000 PHE 146 1.000 26.951 -13.792 -7.833 -99.200 -91.000 TRP 154 1.040 47.009 -5.918 2.987 -99.200 -91.000 TRP6 154 1.020 46.575 -3.610 2.683 -99.200 -91.000 HIS 164 0.900 41.188 -11.222 10.619 -99.200 -91.000 PHE 166 1.000 38.067 -8.998 9.840 -99.200 -91.000 TYR 176 0.840 29.158 -13.480 -2.118 -99.200 -91.000 TYR 194 0.840 52.225 0.132 5.112 -99.200 -91.000 HIS 200 0.900 35.186 -10.984 -8.846 -99.200 -91.000