============================================================================= 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 -9.318 3.155 0.542 -99.200 -91.000 PHE 14 1.000 -7.749 0.208 5.655 -99.200 -91.000 TRP 25 1.040 9.481 7.056 1.963 -99.200 -91.000 TRP6 25 1.020 11.164 7.663 0.408 -99.200 -91.000 HIS 41 0.900 8.640 0.006 -2.432 -99.200 -91.000 TYR 46 0.840 14.892 3.956 2.413 -99.200 -91.000 PHE 51 1.000 10.826 5.755 7.143 -99.200 -91.000 HIS 75 0.900 7.733 -12.508 3.963 -99.200 -91.000 TYR 78 0.840 12.164 -5.923 0.466 -99.200 -91.000 TYR 102 0.840 -7.435 -0.206 15.296 -99.200 -91.000 TRP 123 1.040 -2.449 11.709 1.307 -99.200 -91.000 TRP6 123 1.020 -2.804 9.824 2.682 -99.200 -91.000 TYR 154 0.840 4.922 -5.445 -15.105 -99.200 -91.000 PHE 164 1.000 -3.470 -7.890 -5.440 -99.200 -91.000 TRP 197 1.040 6.679 -4.909 -8.467 -99.200 -91.000 TRP6 197 1.020 7.210 -5.479 -10.699 -99.200 -91.000 TYR 206 0.840 4.824 -2.444 -19.872 -99.200 -91.000 TYR 210 0.840 -1.785 -2.695 -6.648 -99.200 -91.000 PHE 219 1.000 6.201 -9.955 7.856 -99.200 -91.000 TYR 223 0.840 7.478 -10.698 13.118 -99.200 -91.000