============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 3 0.840 -39.581 15.732 -0.106 -99.200 -91.000 TYR 7 0.840 -47.732 12.782 5.765 -99.200 -91.000 PHE 9 1.000 -39.594 17.086 8.616 -99.200 -91.000 HIS 10 0.900 -42.101 24.024 8.509 -99.200 -91.000 PHE 13 1.000 -33.010 25.367 13.008 -99.200 -91.000 TYR 26 0.840 -31.764 28.768 12.093 -99.200 -91.000 PHE 34 1.000 -22.945 30.395 12.995 -99.200 -91.000 TRP 46 1.040 -42.065 23.892 13.548 -99.200 -91.000 TRP6 46 1.020 -43.726 25.383 14.336 -99.200 -91.000 TYR 63 0.840 -16.895 16.892 5.194 -99.200 -91.000 HIS 68 0.900 -13.642 19.496 0.565 -99.200 -91.000 HIS 78 0.900 -8.201 14.333 21.164 -99.200 -91.000 HIS 79 0.900 -12.572 15.972 19.814 -99.200 -91.000 HIS 93 0.900 -22.581 6.745 13.824 -99.200 -91.000 TYR 102 0.840 -35.513 1.901 24.486 -99.200 -91.000 TYR 105 0.840 -26.299 6.797 17.640 -99.200 -91.000 PHE 112 1.000 -18.824 1.629 2.662 -99.200 -91.000 HIS 114 0.900 -20.386 7.000 10.494 -99.200 -91.000 TYR 120 0.840 -43.752 12.944 14.084 -99.200 -91.000 TYR 129 0.840 -41.938 23.918 18.891 -99.200 -91.000 HIS 133 0.900 -33.579 18.664 23.447 -99.200 -91.000 TYR 134 0.840 -30.971 15.538 15.845 -99.200 -91.000 TYR 136 0.840 -24.547 18.877 14.984 -99.200 -91.000 PHE 170 1.000 -29.706 21.799 11.166 -99.200 -91.000 PHE 189 1.000 -26.429 36.825 4.043 -99.200 -91.000