============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 5 1.000 -21.299 -36.188 -0.268 -99.200 -91.000 PHE 21 1.000 -23.990 -27.796 3.987 -99.200 -91.000 PHE 27 1.000 -28.634 -17.622 -3.827 -99.200 -91.000 TRP 76 1.040 -19.273 -25.810 -12.645 -99.200 -91.000 TRP6 76 1.020 -21.559 -26.382 -12.603 -99.200 -91.000 TRP 80 1.040 -22.536 -20.226 3.119 -99.200 -91.000 TRP6 80 1.020 -23.998 -21.896 3.927 -99.200 -91.000 HIS 85 0.900 -28.264 -4.314 5.861 -99.200 -91.000 PHE 98 1.000 -22.510 -2.338 -9.598 -99.200 -91.000 TRP 101 1.040 -27.472 -13.782 -7.090 -99.200 -91.000 TRP6 101 1.020 -25.493 -14.253 -8.290 -99.200 -91.000 PHE 102 1.000 -32.411 -4.810 -5.535 -99.200 -91.000 HIS 106 0.900 -32.513 -3.850 4.988 -99.200 -91.000 HIS 109 0.900 -28.122 -2.608 -6.687 -99.200 -91.000 TYR 110 0.840 -24.540 -9.112 -2.371 -99.200 -91.000 PHE 132 1.000 -17.907 -29.394 -9.996 -99.200 -91.000