============================================================================= 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. TYR 6 0.840 38.996 9.687 -2.999 -99.200 -91.000 HIS 8 0.900 28.740 16.443 -2.873 -99.200 -91.000 TRP 46 1.040 41.306 11.615 21.484 -99.200 -91.000 TRP6 46 1.020 39.252 12.635 21.314 -99.200 -91.000 PHE 55 1.000 47.660 3.371 9.942 -99.200 -91.000 PHE 57 1.000 45.061 4.081 15.392 -99.200 -91.000 PHE 73 1.000 50.983 24.493 -3.593 -99.200 -91.000 HIS 78 0.900 43.314 16.019 -9.915 -99.200 -91.000 TYR 91 0.840 55.883 21.681 7.940 -99.200 -91.000 TRP 113 1.040 34.518 23.408 12.061 -99.200 -91.000 TRP6 113 1.020 32.368 22.742 12.492 -99.200 -91.000 TRP 119 1.040 39.933 13.119 -0.138 -99.200 -91.000 TRP6 119 1.020 41.557 13.170 -1.763 -99.200 -91.000 HIS 121 0.900 50.707 9.141 -0.117 -99.200 -91.000 TYR 133 0.840 42.287 18.946 6.630 -99.200 -91.000 PHE 138 1.000 29.687 23.328 -2.416 -99.200 -91.000 TYR 139 0.840 29.439 20.121 1.391 -99.200 -91.000 TRP 142 1.040 22.767 18.236 3.690 -99.200 -91.000 TRP6 142 1.020 24.204 17.399 5.289 -99.200 -91.000