============================================================================= 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 -9.809 4.318 0.755 -99.200 -91.000 PHE 14 1.000 -8.049 0.501 5.650 -99.200 -91.000 TRP 25 1.040 9.671 6.860 2.006 -99.200 -91.000 TRP6 25 1.020 11.386 7.444 0.493 -99.200 -91.000 HIS 41 0.900 8.755 -0.137 -2.492 -99.200 -91.000 TYR 46 0.840 15.274 3.630 2.637 -99.200 -91.000 PHE 51 1.000 11.052 5.640 7.207 -99.200 -91.000 HIS 75 0.900 7.484 -12.583 3.820 -99.200 -91.000 TYR 78 0.840 12.099 -6.210 0.379 -99.200 -91.000 TYR 102 0.840 -7.386 -0.206 15.498 -99.200 -91.000 TRP 123 1.040 -2.239 11.731 1.337 -99.200 -91.000 TRP6 123 1.020 -2.575 9.860 2.730 -99.200 -91.000 TYR 154 0.840 4.796 -5.499 -15.221 -99.200 -91.000 PHE 164 1.000 -3.620 -7.799 -5.509 -99.200 -91.000 TRP 197 1.040 6.601 -4.939 -8.588 -99.200 -91.000 TRP6 197 1.020 7.037 -5.517 -10.826 -99.200 -91.000 TYR 206 0.840 4.575 -2.462 -19.999 -99.200 -91.000 TYR 210 0.840 -1.812 -2.665 -6.741 -99.200 -91.000 PHE 219 1.000 5.993 -10.138 7.726 -99.200 -91.000 TYR 223 0.840 7.182 -11.267 13.084 -99.200 -91.000