============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 3 1.000 7.099 23.385 22.711 -99.200 -91.000 TYR 20 0.840 19.992 21.781 35.971 -99.200 -91.000 TRP 28 1.040 19.063 19.958 28.426 -99.200 -91.000 TRP6 28 1.020 18.318 18.300 29.943 -99.200 -91.000 TRP 34 1.040 16.997 11.329 17.814 -99.200 -91.000 TRP6 34 1.020 16.409 10.080 15.911 -99.200 -91.000 TYR 38 0.840 11.957 18.612 18.277 -99.200 -91.000 TYR 45 0.840 1.429 -0.511 29.970 -99.200 -91.000 TYR 54 0.840 2.779 9.287 32.193 -99.200 -91.000 PHE 57 1.000 12.615 17.362 28.102 -99.200 -91.000 TYR 63 0.840 13.420 3.929 38.714 -99.200 -91.000 TRP 64 1.040 12.824 9.575 36.622 -99.200 -91.000 TRP6 64 1.020 14.459 10.450 38.108 -99.200 -91.000 HIS 78 0.900 8.764 17.812 44.187 -99.200 -91.000 TRP 109 1.040 15.273 10.715 29.372 -99.200 -91.000 TRP6 109 1.020 16.193 12.496 30.633 -99.200 -91.000 TRP 112 1.040 21.933 12.426 25.273 -99.200 -91.000 TRP6 112 1.020 24.045 11.699 26.094 -99.200 -91.000 TYR 124 0.840 19.227 17.065 16.921 -99.200 -91.000