============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 4 0.840 72.460 63.474 26.703 -99.200 -91.000 PHE 20 1.000 61.997 77.099 33.526 -99.200 -91.000 TRP 39 1.040 58.356 52.052 36.567 -99.200 -91.000 TRP6 39 1.020 58.014 49.781 37.086 -99.200 -91.000 HIS 43 0.900 61.944 48.851 53.084 -99.200 -91.000 HIS 45 0.900 54.759 48.914 44.712 -99.200 -91.000 TRP 49 1.040 55.436 58.373 43.855 -99.200 -91.000 TRP6 49 1.020 57.262 56.901 44.267 -99.200 -91.000 TYR 54 0.840 49.298 74.302 41.799 -99.200 -91.000 PHE 70 1.000 55.874 85.935 49.579 -99.200 -91.000 PHE 86 1.000 56.026 80.856 41.630 -99.200 -91.000 TYR 96 0.840 50.730 66.244 48.388 -99.200 -91.000 TYR 109 0.840 62.505 64.620 52.577 -99.200 -91.000 PHE 115 1.000 57.741 61.174 41.664 -99.200 -91.000 PHE 118 1.000 59.510 65.723 36.119 -99.200 -91.000 TRP 123 1.040 69.795 67.419 30.348 -99.200 -91.000 TRP6 123 1.020 69.893 69.734 30.753 -99.200 -91.000 TRP 131 1.040 63.859 69.256 44.892 -99.200 -91.000 TRP6 131 1.020 64.746 67.075 44.850 -99.200 -91.000 TYR 138 0.840 60.550 72.963 55.196 -99.200 -91.000 PHE 142 1.000 53.024 77.205 48.923 -99.200 -91.000 HIS 159 0.900 59.039 76.861 40.650 -99.200 -91.000 TYR 162 0.840 59.990 71.934 25.871 -99.200 -91.000 PHE 163 1.000 67.372 73.811 28.999 -99.200 -91.000