============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 7 1.040 23.861 2.446 59.700 -99.200 -91.000 TRP6 7 1.020 24.085 4.512 58.679 -99.200 -91.000 PHE 11 1.000 24.938 -1.821 52.756 -99.200 -91.000 PHE 20 1.000 21.065 5.147 53.697 -99.200 -91.000 TYR 42 0.840 29.994 3.227 42.087 -99.200 -91.000 PHE 48 1.000 22.101 14.136 33.782 -99.200 -91.000 HIS 65 0.900 0.216 22.536 35.566 -99.200 -91.000 PHE 68 1.000 7.798 16.173 28.862 -99.200 -91.000 TRP 70 1.040 3.825 6.223 22.713 -99.200 -91.000 TRP6 70 1.020 2.167 4.584 22.450 -99.200 -91.000 TRP 80 1.040 9.318 4.093 30.225 -99.200 -91.000 TRP6 80 1.020 11.425 3.470 29.374 -99.200 -91.000 PHE 98 1.000 13.372 13.477 32.226 -99.200 -91.000 TYR 113 0.840 21.763 25.692 32.985 -99.200 -91.000 PHE 117 1.000 22.202 22.378 38.079 -99.200 -91.000 TYR 119 0.840 24.726 15.172 38.545 -99.200 -91.000 PHE 131 1.000 24.940 13.626 29.488 -99.200 -91.000 TRP 132 1.040 21.010 9.878 31.510 -99.200 -91.000 TRP6 132 1.020 20.629 11.199 29.604 -99.200 -91.000 PHE 147 1.000 21.588 18.045 41.779 -99.200 -91.000 TYR 152 0.840 14.910 20.879 52.545 -99.200 -91.000 TYR 178 0.840 8.055 9.704 56.830 -99.200 -91.000 HIS 181 0.900 10.181 16.325 48.095 -99.200 -91.000 PHE 186 1.000 19.025 -2.308 36.694 -99.200 -91.000 TRP 199 1.040 23.109 5.666 41.333 -99.200 -91.000 TRP6 199 1.020 24.426 6.929 42.760 -99.200 -91.000 TRP 200 1.040 14.991 5.423 46.746 -99.200 -91.000 TRP6 200 1.020 14.377 5.137 48.990 -99.200 -91.000 TRP 203 1.040 14.042 16.362 50.565 -99.200 -91.000 TRP6 203 1.020 14.483 16.941 48.343 -99.200 -91.000 TYR 211 0.840 16.343 12.579 59.735 -99.200 -91.000 PHE 212 1.000 19.119 17.365 52.851 -99.200 -91.000 PHE 213 1.000 16.861 8.793 50.755 -99.200 -91.000 PHE 215 1.000 21.699 1.075 48.560 -99.200 -91.000