============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 12 1.000 -9.812 4.334 0.853 -99.200 -91.000 PHE 14 1.000 -7.930 0.416 5.656 -99.200 -91.000 TRP 25 1.040 9.581 6.800 2.128 -99.200 -91.000 TRP6 25 1.020 11.243 7.297 0.534 -99.200 -91.000 HIS 41 0.900 8.663 -0.110 -2.417 -99.200 -91.000 TYR 46 0.840 14.952 3.588 2.677 -99.200 -91.000 PHE 51 1.000 10.822 5.321 7.309 -99.200 -91.000 HIS 75 0.900 7.126 -12.692 3.663 -99.200 -91.000 TYR 78 0.840 11.844 -6.488 0.388 -99.200 -91.000 TYR 102 0.840 -7.410 -0.403 15.496 -99.200 -91.000 TRP 123 1.040 -1.990 11.812 1.637 -99.200 -91.000 TRP6 123 1.020 -2.443 9.909 2.973 -99.200 -91.000 TYR 154 0.840 4.807 -5.199 -15.138 -99.200 -91.000 PHE 164 1.000 -3.817 -7.486 -5.746 -99.200 -91.000 TRP 197 1.040 6.570 -4.841 -8.550 -99.200 -91.000 TRP6 197 1.020 7.060 -5.381 -10.790 -99.200 -91.000 TYR 206 0.840 4.639 -2.123 -19.886 -99.200 -91.000 TYR 210 0.840 -1.806 -2.436 -6.747 -99.200 -91.000 PHE 219 1.000 5.772 -10.187 7.591 -99.200 -91.000 TYR 223 0.840 6.771 -12.094 12.759 -99.200 -91.000