============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 1 1.000 39.357 29.135 26.372 -99.200 -91.000 PHE 4 1.000 34.528 29.345 35.904 -99.200 -91.000 TYR 11 0.840 46.422 32.261 41.522 -99.200 -91.000 TRP 29 1.040 38.213 26.607 43.211 -99.200 -91.000 TRP6 29 1.020 38.012 28.116 41.406 -99.200 -91.000 HIS 47 0.900 26.066 36.176 38.612 -99.200 -91.000 PHE 48 1.000 29.232 29.167 41.964 -99.200 -91.000 HIS 60 0.900 19.754 29.706 42.830 -99.200 -91.000 PHE 61 1.000 25.723 28.088 37.790 -99.200 -91.000 PHE 75 1.000 32.036 21.089 53.552 -99.200 -91.000 TYR 77 0.840 24.122 30.480 56.808 -99.200 -91.000 TYR 81 0.840 30.752 30.313 56.492 -99.200 -91.000 PHE 86 1.000 29.582 38.004 41.273 -99.200 -91.000 PHE 88 1.000 36.618 37.385 35.328 -99.200 -91.000 HIS 92 0.900 45.078 35.635 32.130 -99.200 -91.000