============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 8 1.000 14.611 13.053 25.357 -99.200 -91.000 PHE 16 1.000 14.064 9.324 37.055 -99.200 -91.000 TYR 22 0.840 15.268 -4.031 36.766 -99.200 -91.000 TRP 28 1.040 8.657 -11.674 46.480 -99.200 -91.000 TRP6 28 1.020 9.824 -13.668 45.914 -99.200 -91.000 PHE 29 1.000 14.429 -12.126 43.033 -99.200 -91.000 TRP 34 1.040 14.675 -16.739 46.561 -99.200 -91.000 TRP6 34 1.020 15.511 -18.739 45.600 -99.200 -91.000 TYR 40 0.840 20.757 -9.181 36.959 -99.200 -91.000 HIS 51 0.900 20.415 2.985 31.323 -99.200 -91.000 PHE 55 1.000 16.344 8.626 27.338 -99.200 -91.000 PHE 58 1.000 19.809 14.677 23.469 -99.200 -91.000 TRP 80 1.040 6.557 -10.345 41.289 -99.200 -91.000 TRP6 80 1.020 7.955 -8.528 41.896 -99.200 -91.000 TRP 87 1.040 14.689 -13.947 37.994 -99.200 -91.000 TRP6 87 1.020 16.420 -12.440 37.350 -99.200 -91.000 HIS 112 0.900 12.631 14.650 8.313 -99.200 -91.000 PHE 114 1.000 18.478 13.375 10.249 -99.200 -91.000 PHE 119 1.000 20.320 10.579 24.887 -99.200 -91.000 PHE 123 1.000 20.295 5.628 26.423 -99.200 -91.000 HIS 124 0.900 17.087 2.687 19.437 -99.200 -91.000