============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. TYR 14 0.840 11.972 -15.513 38.640 -99.200 -91.000 PHE 17 1.000 18.492 -16.963 47.037 -99.200 -91.000 PHE 38 1.000 15.357 -8.743 46.917 -99.200 -91.000 TYR 41 0.840 24.337 -16.052 38.136 -99.200 -91.000 TYR 57 0.840 23.248 -6.631 44.894 -99.200 -91.000 HIS 70 0.900 24.500 3.679 50.786 -99.200 -91.000 PHE 73 1.000 23.458 -0.966 48.621 -99.200 -91.000 TYR 89 0.840 19.945 -5.507 49.651 -99.200 -91.000 PHE 91 1.000 14.290 -6.159 51.823 -99.200 -91.000 HIS 95 0.900 19.999 0.594 57.317 -99.200 -91.000 TRP 102 1.040 14.559 -3.286 46.257 -99.200 -91.000 TRP6 102 1.020 16.465 -3.175 47.619 -99.200 -91.000 PHE 106 1.000 25.526 -5.099 33.769 -99.200 -91.000 PHE 117 1.000 14.052 -10.395 42.357 -99.200 -91.000