============================================================================= 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 1 1.000 9.950 21.492 2.997 -99.200 -91.000 PHE 6 1.000 10.624 26.571 -0.086 -99.200 -91.000 PHE 9 1.000 12.756 25.408 -4.994 -99.200 -91.000 TRP 19 1.040 7.826 18.938 -4.819 -99.200 -91.000 TRP6 19 1.020 7.449 20.953 -3.588 -99.200 -91.000 PHE 34 1.000 28.027 21.568 -4.803 -99.200 -91.000 TYR 41 0.840 5.851 15.991 -14.359 -99.200 -91.000 TYR 55 0.840 7.955 9.701 -19.631 -99.200 -91.000 PHE 65 1.000 12.424 34.021 -8.254 -99.200 -91.000 PHE 68 1.000 9.875 21.486 -12.922 -99.200 -91.000 TRP 72 1.040 6.949 15.255 -22.088 -99.200 -91.000 TRP6 72 1.020 6.253 14.535 -19.949 -99.200 -91.000 TRP 85 1.040 6.321 22.081 -15.635 -99.200 -91.000 TRP6 85 1.020 7.171 20.066 -16.534 -99.200 -91.000 TYR 88 0.840 6.174 32.495 -8.002 -99.200 -91.000 TRP 102 1.040 2.510 23.731 -18.349 -99.200 -91.000 TRP6 102 1.020 1.574 23.323 -20.482 -99.200 -91.000 TYR 106 0.840 2.355 20.164 -29.797 -99.200 -91.000 PHE 121 1.000 4.392 20.685 -10.637 -99.200 -91.000 TYR 123 0.840 6.558 18.618 1.350 -99.200 -91.000