============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 6 1.000 51.959-211.369 12.117 -99.200 -91.000 HIS 11 0.900 50.097-217.855 5.845 -99.200 -91.000 PHE 13 1.000 45.297-219.520 10.482 -99.200 -91.000 TYR 17 0.840 40.550-218.600 8.241 -99.200 -91.000 HIS 65 0.900 38.569-187.992 -11.176 -99.200 -91.000 PHE 70 1.000 31.387-204.871 -4.404 -99.200 -91.000 HIS 91 0.900 43.682-184.860 -3.629 -99.200 -91.000 TYR 103 0.840 45.293-189.125 -1.968 -99.200 -91.000 TYR 107 0.840 40.726-192.782 2.109 -99.200 -91.000 TYR 115 0.840 37.962-201.247 9.152 -99.200 -91.000 PHE 124 1.000 36.344-202.698 5.051 -99.200 -91.000 PHE 133 1.000 40.897-192.701 -18.809 -99.200 -91.000 TYR 142 0.840 46.685-197.907 -9.687 -99.200 -91.000 TYR 150 0.840 48.495-199.237 -3.281 -99.200 -91.000 TRP 153 1.040 46.616-206.077 -11.269 -99.200 -91.000 TRP6 153 1.020 47.354-208.279 -11.673 -99.200 -91.000 PHE 168 1.000 39.368-214.559 -23.039 -99.200 -91.000 TYR 173 0.840 45.666-205.907 -22.056 -99.200 -91.000 TYR 226 0.840 30.253-204.839 -27.820 -99.200 -91.000