============================================================================= 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 5 1.000 14.612 31.459 27.899 -99.200 -91.000 HIS 18 0.900 25.201 35.790 48.644 -99.200 -91.000 TYR 33 0.840 14.993 60.080 42.572 -99.200 -91.000 TYR 36 0.840 20.077 48.882 45.593 -99.200 -91.000 HIS 44 0.900 31.500 37.589 54.615 -99.200 -91.000 PHE 48 1.000 27.540 48.463 56.235 -99.200 -91.000 HIS 49 0.900 18.076 44.754 55.542 -99.200 -91.000 TRP 64 1.040 29.662 58.058 42.476 -99.200 -91.000 TRP6 64 1.020 31.427 57.493 43.955 -99.200 -91.000 PHE 90 1.000 30.091 63.352 48.051 -99.200 -91.000 TYR 105 0.840 37.849 48.575 37.576 -99.200 -91.000 HIS 110 0.900 35.038 55.074 55.321 -99.200 -91.000 PHE 113 1.000 24.409 52.386 54.666 -99.200 -91.000 TYR 145 0.840 39.858 46.884 44.439 -99.200 -91.000 TYR 148 0.840 35.363 40.210 47.978 -99.200 -91.000