============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 12 1.000 -9.781 4.311 0.843 -99.200 -91.000 PHE 14 1.000 -7.909 0.405 5.637 -99.200 -91.000 TRP 25 1.040 9.613 6.788 2.092 -99.200 -91.000 TRP6 25 1.020 11.275 7.280 0.480 -99.200 -91.000 HIS 41 0.900 8.713 -0.116 -2.444 -99.200 -91.000 TYR 46 0.840 14.981 3.581 2.656 -99.200 -91.000 PHE 51 1.000 10.860 5.330 7.270 -99.200 -91.000 HIS 75 0.900 7.160 -12.678 3.651 -99.200 -91.000 TYR 78 0.840 11.874 -6.471 0.368 -99.200 -91.000 TYR 102 0.840 -7.382 -0.415 15.470 -99.200 -91.000 TRP 123 1.040 -1.988 11.778 1.613 -99.200 -91.000 TRP6 123 1.020 -2.435 9.882 2.954 -99.200 -91.000 TYR 154 0.840 4.810 -5.226 -15.180 -99.200 -91.000 PHE 164 1.000 -3.794 -7.487 -5.775 -99.200 -91.000 TRP 197 1.040 6.582 -4.836 -8.577 -99.200 -91.000 TRP6 197 1.020 7.047 -5.392 -10.832 -99.200 -91.000 TYR 206 0.840 4.646 -2.171 -19.939 -99.200 -91.000 TYR 210 0.840 -1.784 -2.452 -6.756 -99.200 -91.000 PHE 219 1.000 5.797 -10.172 7.579 -99.200 -91.000 TYR 223 0.840 6.779 -12.066 12.751 -99.200 -91.000