============================================================================= 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 3 1.000 7.785 -4.277 21.515 -99.200 -91.000 PHE 15 1.000 5.755 -1.837 5.941 -99.200 -91.000 PHE 29 1.000 4.406 1.402 13.783 -99.200 -91.000 PHE 34 1.000 13.748 -5.211 8.433 -99.200 -91.000 TYR 40 0.840 18.896 -9.183 13.383 -99.200 -91.000 PHE 52 1.000 19.205 -4.137 12.811 -99.200 -91.000 TYR 83 0.840 27.146 -9.197 5.806 -99.200 -91.000 PHE 90 1.000 19.428 -9.156 3.185 -99.200 -91.000 TRP 91 1.040 24.130 -8.125 -4.098 -99.200 -91.000 TRP6 91 1.020 25.105 -5.990 -4.286 -99.200 -91.000 PHE 94 1.000 16.887 1.707 2.073 -99.200 -91.000 HIS 95 0.900 12.125 4.782 -2.937 -99.200 -91.000 TYR 108 0.840 5.766 8.330 11.631 -99.200 -91.000 PHE 109 1.000 13.835 10.338 6.759 -99.200 -91.000 HIS 119 0.900 24.314 -3.768 -8.983 -99.200 -91.000