============================================================================= 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 26 1.000 87.484 34.613 16.692 -99.200 -91.000 TYR 31 0.840 89.423 38.413 14.227 -99.200 -91.000 TYR 32 0.840 89.435 47.543 15.420 -99.200 -91.000 TYR 34 0.840 83.579 46.173 14.650 -99.200 -91.000 TRP 35 1.040 79.755 44.106 22.222 -99.200 -91.000 TRP6 35 1.020 78.694 42.128 22.985 -99.200 -91.000 TRP 46 1.040 78.496 49.260 14.300 -99.200 -91.000 TRP6 46 1.020 77.842 47.542 12.789 -99.200 -91.000 TRP 49 1.040 85.424 50.840 17.699 -99.200 -91.000 TRP6 49 1.020 87.613 51.128 18.555 -99.200 -91.000 TYR 59 0.840 81.706 52.607 25.191 -99.200 -91.000 PHE 63 1.000 73.271 52.290 21.755 -99.200 -91.000 TYR 79 0.840 83.085 39.555 30.074 -99.200 -91.000 TYR 92 0.840 71.354 44.770 23.423 -99.200 -91.000 TYR 93 0.840 72.159 39.421 16.505 -99.200 -91.000 TYR 105 0.840 85.733 34.164 12.886 -99.200 -91.000 TRP 106 1.040 78.486 39.042 12.011 -99.200 -91.000 TRP6 106 1.020 77.186 40.874 12.712 -99.200 -91.000 TYR 125 0.840 46.647 23.765 28.271 -99.200 -91.000 TYR 141 0.840 56.314 30.854 26.820 -99.200 -91.000 PHE 142 1.000 57.748 37.900 31.437 -99.200 -91.000 TRP 150 1.040 57.237 18.577 17.438 -99.200 -91.000 TRP6 150 1.020 55.170 17.862 18.370 -99.200 -91.000 HIS 160 0.900 55.054 23.828 8.971 -99.200 -91.000 PHE 162 1.000 52.849 27.992 13.759 -99.200 -91.000 TYR 171 0.840 56.730 36.556 25.603 -99.200 -91.000 TRP 184 1.040 50.188 9.851 16.720 -99.200 -91.000 TRP6 184 1.020 47.946 10.581 16.513 -99.200 -91.000 HIS 195 0.900 59.820 29.302 30.855 -99.200 -91.000