============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 5 1.000 -5.271 28.277 134.321 -99.200 -91.000 PHE 21 1.000 1.309 47.265 120.215 -99.200 -91.000 PHE 31 1.000 10.246 39.454 119.066 -99.200 -91.000 TRP 32 1.040 4.868 39.054 113.590 -99.200 -91.000 TRP6 32 1.020 4.550 37.552 115.410 -99.200 -91.000 TYR 35 0.840 7.793 34.551 117.292 -99.200 -91.000 TYR 64 0.840 22.923 39.018 106.406 -99.200 -91.000 TRP 80 1.040 18.260 48.165 101.536 -99.200 -91.000 TRP6 80 1.020 17.088 46.522 100.258 -99.200 -91.000 TYR 84 0.840 17.353 59.272 91.334 -99.200 -91.000 HIS 86 0.900 18.456 49.424 89.225 -99.200 -91.000 HIS 95 0.900 8.114 44.430 101.727 -99.200 -91.000 PHE 104 1.000 24.759 47.710 106.382 -99.200 -91.000 TRP 116 1.040 16.252 40.614 97.812 -99.200 -91.000 TRP6 116 1.020 15.530 42.778 97.143 -99.200 -91.000 TYR 118 0.840 15.498 47.347 95.051 -99.200 -91.000