============================================================================= 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 8.874 -20.033 -27.087 -99.200 -91.000 PHE 23 1.000 3.967 -22.727 -24.347 -99.200 -91.000 TRP 31 1.040 -0.093 -24.320 -19.855 -99.200 -91.000 TRP6 31 1.020 -1.932 -23.069 -20.680 -99.200 -91.000 PHE 34 1.000 -2.106 -22.090 -31.826 -99.200 -91.000 HIS 46 0.900 1.922 -7.684 -37.301 -99.200 -91.000 PHE 54 1.000 -6.457 -17.597 -31.558 -99.200 -91.000 TYR 59 0.840 -5.451 -20.538 -28.202 -99.200 -91.000 TYR 68 0.840 13.747 -5.980 -24.120 -99.200 -91.000 TRP 69 1.040 13.545 -6.383 -18.604 -99.200 -91.000 TRP6 69 1.020 13.497 -4.144 -19.284 -99.200 -91.000 PHE 77 1.000 10.133 -9.844 -8.800 -99.200 -91.000 HIS 78 0.900 7.848 -9.566 -13.108 -99.200 -91.000 HIS 80 0.900 7.498 -17.268 -17.465 -99.200 -91.000 PHE 85 1.000 -5.521 -15.146 -25.268 -99.200 -91.000 TYR 95 0.840 -9.175 -13.067 -29.660 -99.200 -91.000 TYR 104 0.840 13.101 -5.228 -9.443 -99.200 -91.000 TYR 106 0.840 4.096 -9.055 -16.364 -99.200 -91.000