============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 21 0.900 8.753 -20.198 -27.135 -99.200 -91.000 PHE 23 1.000 3.837 -22.761 -24.537 -99.200 -91.000 TRP 31 1.040 -0.394 -24.304 -20.085 -99.200 -91.000 TRP6 31 1.020 -2.187 -23.017 -20.937 -99.200 -91.000 PHE 34 1.000 -2.202 -21.825 -32.100 -99.200 -91.000 HIS 46 0.900 2.010 -7.733 -37.444 -99.200 -91.000 PHE 54 1.000 -6.464 -17.457 -31.685 -99.200 -91.000 TYR 59 0.840 -5.641 -20.450 -28.498 -99.200 -91.000 TYR 68 0.840 13.796 -5.963 -24.111 -99.200 -91.000 TRP 69 1.040 13.459 -6.399 -18.599 -99.200 -91.000 TRP6 69 1.020 13.537 -4.131 -19.277 -99.200 -91.000 PHE 77 1.000 9.892 -9.782 -8.735 -99.200 -91.000 HIS 78 0.900 7.684 -9.530 -13.186 -99.200 -91.000 HIS 80 0.900 7.458 -17.301 -17.520 -99.200 -91.000 PHE 85 1.000 -5.615 -15.059 -25.503 -99.200 -91.000 TYR 95 0.840 -9.188 -12.910 -29.842 -99.200 -91.000 TYR 104 0.840 13.022 -5.415 -9.523 -99.200 -91.000 TYR 106 0.840 4.065 -8.894 -16.405 -99.200 -91.000