============================================================================= 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. HIS 12 0.900 -3.727 1.958 -10.577 -99.200 -91.000 HIS 22 0.900 -6.648 10.828 6.485 -99.200 -91.000 PHE 23 1.000 -12.486 5.608 8.811 -99.200 -91.000 TRP 43 1.040 -11.288 10.842 -16.946 -99.200 -91.000 TRP6 43 1.020 -10.150 12.860 -16.408 -99.200 -91.000 PHE 54 1.000 -5.825 16.374 -2.922 -99.200 -91.000 PHE 58 1.000 -17.417 16.763 3.902 -99.200 -91.000 TRP 68 1.040 -22.161 20.150 1.652 -99.200 -91.000 TRP6 68 1.020 -20.352 20.463 0.118 -99.200 -91.000 PHE 69 1.000 -15.379 25.346 3.558 -99.200 -91.000 HIS 72 0.900 -12.379 27.196 -3.705 -99.200 -91.000 TYR 74 0.840 -5.995 20.464 2.474 -99.200 -91.000 TYR 79 0.840 -4.181 18.969 -9.691 -99.200 -91.000 PHE 82 1.000 -0.727 14.931 -3.767 -99.200 -91.000 TRP 94 1.040 -16.652 13.535 -5.060 -99.200 -91.000 TRP6 94 1.020 -17.895 13.300 -3.040 -99.200 -91.000 TYR 95 0.840 -10.679 9.822 -0.482 -99.200 -91.000 HIS 96 0.900 -18.789 9.240 0.758 -99.200 -91.000 HIS 102 0.900 -22.644 10.108 4.503 -99.200 -91.000 TYR 115 0.840 -11.744 22.356 -8.091 -99.200 -91.000 TYR 137 0.840 -22.219 5.259 -5.692 -99.200 -91.000 HIS 144 0.900 -37.791 14.990 -11.581 -99.200 -91.000 PHE 150 1.000 -23.342 10.902 -6.401 -99.200 -91.000 HIS 152 0.900 -24.543 1.676 -7.469 -99.200 -91.000 HIS 169 0.900 8.821 -8.403 -4.839 -99.200 -91.000