============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 4 1.000 -46.317 11.375 79.245 -99.200 -91.000 TYR 5 0.840 -55.026 13.919 77.661 -99.200 -91.000 PHE 14 1.000 -50.185 16.795 76.758 -99.200 -91.000 PHE 21 1.000 -43.630 25.724 70.638 -99.200 -91.000 TYR 22 0.840 -47.449 27.782 68.016 -99.200 -91.000 TYR 35 0.840 -44.509 28.031 64.284 -99.200 -91.000 PHE 50 1.000 -48.652 14.663 66.689 -99.200 -91.000 TYR 54 0.840 -46.456 10.531 70.462 -99.200 -91.000 TRP 55 1.040 -47.204 12.900 74.730 -99.200 -91.000 TRP6 55 1.020 -45.504 11.336 75.261 -99.200 -91.000 TYR 61 0.840 -53.297 16.096 64.169 -99.200 -91.000 HIS 67 0.900 -51.587 8.225 58.961 -99.200 -91.000 HIS 74 0.900 -43.784 19.780 60.917 -99.200 -91.000 PHE 77 1.000 -44.675 25.659 56.901 -99.200 -91.000 PHE 87 1.000 -40.971 22.313 68.294 -99.200 -91.000 HIS 92 0.900 -35.573 21.245 76.411 -99.200 -91.000 HIS 107 0.900 -45.492 10.279 84.080 -99.200 -91.000 TYR 114 0.840 -42.932 12.659 70.715 -99.200 -91.000 HIS 120 0.900 -32.022 16.558 67.392 -99.200 -91.000 PHE 127 1.000 -30.956 27.237 51.998 -99.200 -91.000