============================================================================= 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. PHE 22 1.000 8.570 0.700 18.416 -99.200 -91.000 PHE 49 1.000 -5.276 0.766 20.461 -99.200 -91.000 PHE 75 1.000 -0.826 -3.917 27.250 -99.200 -91.000 PHE 89 1.000 26.075 14.418 36.301 -99.200 -91.000 TRP 101 1.040 31.573 5.989 39.299 -99.200 -91.000 TRP6 101 1.020 32.590 6.186 37.178 -99.200 -91.000 PHE 113 1.000 22.720 -8.242 34.411 -99.200 -91.000 TYR 114 0.840 20.141 -4.189 38.674 -99.200 -91.000 TYR 122 0.840 6.949 -12.244 29.997 -99.200 -91.000 TRP 123 1.040 10.870 -11.370 25.684 -99.200 -91.000 TRP6 123 1.020 12.577 -9.824 25.127 -99.200 -91.000 TYR 138 0.840 29.008 10.062 25.717 -99.200 -91.000 TRP 140 1.040 32.754 4.337 19.016 -99.200 -91.000 TRP6 140 1.020 30.412 4.415 18.839 -99.200 -91.000 HIS 148 0.900 29.147 11.692 34.502 -99.200 -91.000 TRP 166 1.040 20.434 -14.300 26.961 -99.200 -91.000 TRP6 166 1.020 19.390 -12.506 28.068 -99.200 -91.000 TYR 170 0.840 17.793 -18.714 26.243 -99.200 -91.000 TYR 213 0.840 7.874 0.338 12.295 -99.200 -91.000 TYR 214 0.840 15.966 -1.653 8.915 -99.200 -91.000 TYR 222 0.840 21.886 -13.081 9.220 -99.200 -91.000 HIS 233 0.900 31.168 8.237 14.638 -99.200 -91.000 HIS 235 0.900 39.801 11.278 13.927 -99.200 -91.000 TYR 237 0.840 37.954 20.549 11.230 -99.200 -91.000