============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 11 1.000 48.732 57.201 40.389 -99.200 -91.000 PHE 15 1.000 53.932 45.535 29.706 -99.200 -91.000 TRP 33 1.040 51.879 70.901 30.502 -99.200 -91.000 TRP6 33 1.020 52.090 69.137 32.086 -99.200 -91.000 TRP 42 1.040 68.225 69.347 19.483 -99.200 -91.000 TRP6 42 1.020 68.533 67.470 18.078 -99.200 -91.000 HIS 47 0.900 64.060 60.851 19.956 -99.200 -91.000 PHE 49 1.000 54.912 63.228 23.124 -99.200 -91.000 HIS 52 0.900 51.980 59.439 12.278 -99.200 -91.000 PHE 66 1.000 53.315 53.123 34.722 -99.200 -91.000 TRP 85 1.040 67.573 57.935 17.988 -99.200 -91.000 TRP6 85 1.020 68.533 59.814 16.949 -99.200 -91.000 TRP 90 1.040 72.020 53.413 22.692 -99.200 -91.000 TRP6 90 1.020 72.991 53.290 24.869 -99.200 -91.000 TYR 99 0.840 62.978 44.847 27.861 -99.200 -91.000 TYR 100 0.840 67.916 50.344 23.231 -99.200 -91.000 HIS 102 0.900 62.106 54.692 21.539 -99.200 -91.000 PHE 109 1.000 45.909 61.606 38.304 -99.200 -91.000 TYR 119 0.840 61.786 49.536 41.307 -99.200 -91.000 PHE 120 1.000 55.695 47.748 34.641 -99.200 -91.000 PHE 131 1.000 73.867 46.524 29.765 -99.200 -91.000 TYR 146 0.840 66.887 60.467 32.017 -99.200 -91.000 TYR 149 0.840 65.480 55.360 38.393 -99.200 -91.000 PHE 151 1.000 68.370 55.123 33.393 -99.200 -91.000 PHE 153 1.000 78.674 60.398 28.828 -99.200 -91.000 PHE 160 1.000 69.154 63.142 21.003 -99.200 -91.000 TYR 161 0.840 75.895 64.539 27.457 -99.200 -91.000 TYR 163 0.840 72.551 59.853 30.853 -99.200 -91.000