============================================================================= 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 3 1.000 56.385 60.463 -14.131 -99.200 -91.000 PHE 6 1.000 51.329 64.205 -7.146 -99.200 -91.000 TYR 16 0.840 41.970 60.239 7.776 -99.200 -91.000 PHE 19 1.000 42.380 52.916 2.901 -99.200 -91.000 PHE 30 1.000 45.939 58.508 9.311 -99.200 -91.000 PHE 32 1.000 50.008 63.786 6.107 -99.200 -91.000 TYR 77 0.840 70.073 69.664 -2.340 -99.200 -91.000 TRP 85 1.040 55.302 52.577 13.407 -99.200 -91.000 TRP6 85 1.020 53.573 52.932 15.001 -99.200 -91.000 PHE 100 1.000 58.877 45.577 -0.396 -99.200 -91.000 PHE 103 1.000 54.749 34.125 -9.170 -99.200 -91.000 PHE 104 1.000 54.918 36.975 1.634 -99.200 -91.000 HIS 126 0.900 56.574 57.502 -9.948 -99.200 -91.000 TRP 131 1.040 63.807 51.334 3.799 -99.200 -91.000 TRP6 131 1.020 63.899 53.415 2.673 -99.200 -91.000 PHE 141 1.000 55.672 47.666 4.560 -99.200 -91.000 PHE 143 1.000 55.949 56.689 -1.204 -99.200 -91.000