============================================================================= 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 3 0.900 7.398 -7.434 61.903 -99.200 -91.000 TRP 4 1.040 11.374 -7.497 59.932 -99.200 -91.000 TRP6 4 1.020 10.895 -6.012 58.139 -99.200 -91.000 TYR 23 0.840 9.091 -24.854 31.887 -99.200 -91.000 TYR 40 0.840 11.874 -21.286 27.915 -99.200 -91.000 TRP 45 1.040 10.686 -6.731 29.618 -99.200 -91.000 TRP6 45 1.020 11.196 -5.134 31.305 -99.200 -91.000 TRP 46 1.040 4.005 -11.147 30.525 -99.200 -91.000 TRP6 46 1.020 3.599 -13.120 31.762 -99.200 -91.000 TYR 56 0.840 7.529 -0.364 30.501 -99.200 -91.000 TYR 60 0.840 -0.929 -8.017 24.514 -99.200 -91.000 TRP 65 1.040 -4.873 -23.709 30.600 -99.200 -91.000 TRP6 65 1.020 -5.740 -23.744 32.816 -99.200 -91.000 PHE 81 1.000 3.564 -2.074 47.639 -99.200 -91.000 TRP 91 1.040 12.066 -1.912 61.759 -99.200 -91.000 TRP6 91 1.020 13.240 -0.846 59.987 -99.200 -91.000 PHE 92 1.000 9.495 2.599 58.975 -99.200 -91.000 HIS 102 0.900 2.449 2.625 75.052 -99.200 -91.000