============================================================================= 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 18 1.000 58.980 7.284 11.972 -99.200 -91.000 TYR 22 0.840 57.868 12.619 10.916 -99.200 -91.000 TYR 26 0.840 51.675 23.245 8.579 -99.200 -91.000 PHE 50 1.000 68.373 11.486 10.955 -99.200 -91.000 TRP 66 1.040 58.696 25.200 11.995 -99.200 -91.000 TRP6 66 1.020 56.473 25.227 12.850 -99.200 -91.000 PHE 91 1.000 57.983 28.700 0.633 -99.200 -91.000 TRP 99 1.040 58.335 34.955 11.173 -99.200 -91.000 TRP6 99 1.020 55.993 35.223 11.386 -99.200 -91.000 PHE 103 1.000 54.945 35.491 16.544 -99.200 -91.000 TYR 105 0.840 58.380 35.360 20.738 -99.200 -91.000 TYR 110 0.840 67.699 44.095 22.623 -99.200 -91.000 PHE 111 1.000 70.886 34.012 19.970 -99.200 -91.000 HIS 115 0.900 74.521 34.974 18.426 -99.200 -91.000 TYR 136 0.840 53.760 43.835 14.621 -99.200 -91.000 PHE 169 1.000 50.056 50.716 12.289 -99.200 -91.000 PHE 178 1.000 61.938 56.418 13.696 -99.200 -91.000