============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 22.931 0.859 1.614 -99.200 -91.000 TRP6 9 1.020 22.651 -0.812 3.244 -99.200 -91.000 TYR 10 0.840 25.744 -3.302 -4.613 -99.200 -91.000 PHE 17 1.000 19.939 3.020 -1.505 -99.200 -91.000 TYR 31 0.840 17.179 3.227 -6.723 -99.200 -91.000 TYR 42 0.840 16.727 8.112 -13.334 -99.200 -91.000 TYR 48 0.840 19.987 9.528 9.323 -99.200 -91.000 TRP 63 1.040 15.382 6.104 -1.429 -99.200 -91.000 TRP6 63 1.020 15.683 4.318 0.072 -99.200 -91.000 TRP 67 1.040 11.350 6.781 -11.056 -99.200 -91.000 TRP6 67 1.020 13.336 5.650 -10.543 -99.200 -91.000 TYR 71 0.840 22.140 10.480 -20.539 -99.200 -91.000 HIS 75 0.900 6.813 12.560 -18.710 -99.200 -91.000 TRP 80 1.040 12.521 2.293 -2.787 -99.200 -91.000 TRP6 80 1.020 12.939 3.806 -4.532 -99.200 -91.000 TYR 84 0.840 21.360 0.646 9.037 -99.200 -91.000 TRP 96 1.040 8.859 -0.698 -4.493 -99.200 -91.000 TRP6 96 1.020 7.334 -0.585 -6.290 -99.200 -91.000 TRP 108 1.040 -9.086 4.208 -12.287 -99.200 -91.000 TRP6 108 1.020 -8.627 1.910 -12.144 -99.200 -91.000 HIS 115 0.900 7.905 -7.069 -1.626 -99.200 -91.000 PHE 118 1.000 17.117 -0.878 -1.855 -99.200 -91.000