============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 22 1.000 19.699 -3.135 36.094 -99.200 -91.000 PHE 44 1.000 37.893 12.706 37.133 -99.200 -91.000 HIS 54 0.900 44.276 -5.389 37.169 -99.200 -91.000 TYR 82 0.840 47.052 13.822 38.663 -99.200 -91.000 TYR 86 0.840 45.174 18.336 47.584 -99.200 -91.000 PHE 115 1.000 32.792 15.132 45.736 -99.200 -91.000 HIS 116 0.900 33.900 16.788 37.120 -99.200 -91.000 TYR 121 0.840 28.203 -4.322 32.037 -99.200 -91.000 HIS 124 0.900 33.540 -8.705 25.217 -99.200 -91.000 HIS 134 0.900 29.283 12.506 31.379 -99.200 -91.000 TRP 137 1.040 25.900 16.402 44.112 -99.200 -91.000 TRP6 137 1.020 26.649 15.244 46.027 -99.200 -91.000 PHE 151 1.000 33.583 7.611 49.070 -99.200 -91.000 TYR 153 0.840 39.086 15.185 48.760 -99.200 -91.000 PHE 157 1.000 30.429 18.708 46.865 -99.200 -91.000 PHE 158 1.000 25.775 24.258 52.120 -99.200 -91.000 HIS 179 0.900 30.433 12.104 42.946 -99.200 -91.000