============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 5 1.000 36.212 21.303 -5.220 -99.200 -91.000 PHE 21 1.000 27.915 24.059 -9.533 -99.200 -91.000 PHE 27 1.000 17.736 28.671 -1.747 -99.200 -91.000 TRP 76 1.040 25.812 19.263 7.110 -99.200 -91.000 TRP6 76 1.020 26.365 21.557 7.064 -99.200 -91.000 TRP 80 1.040 20.326 22.548 -8.670 -99.200 -91.000 TRP6 80 1.020 22.002 24.016 -9.460 -99.200 -91.000 HIS 85 0.900 4.454 28.239 -11.771 -99.200 -91.000 PHE 98 1.000 2.320 22.522 3.954 -99.200 -91.000 TRP 101 1.040 13.802 27.400 1.463 -99.200 -91.000 TRP6 101 1.020 14.300 25.415 2.642 -99.200 -91.000 PHE 102 1.000 4.897 32.305 -0.166 -99.200 -91.000 HIS 106 0.900 3.702 32.452 -10.710 -99.200 -91.000 HIS 109 0.900 2.833 28.051 0.972 -99.200 -91.000 TRP 110 1.040 9.271 23.585 -2.884 -99.200 -91.000 TRP6 110 1.020 9.029 25.792 -3.674 -99.200 -91.000 PHE 132 1.000 29.448 17.845 4.474 -99.200 -91.000