============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 41.602 15.540 7.305 -99.200 -91.000 TRP6 9 1.020 42.366 13.624 8.420 -99.200 -91.000 TYR 10 0.840 45.479 17.272 -0.155 -99.200 -91.000 PHE 17 1.000 36.981 16.121 5.038 -99.200 -91.000 TYR 31 0.840 35.540 16.157 -0.930 -99.200 -91.000 TYR 42 0.840 31.400 21.854 -6.040 -99.200 -91.000 TYR 48 0.840 33.477 16.291 16.295 -99.200 -91.000 TRP 63 1.040 32.362 14.928 4.334 -99.200 -91.000 TRP6 63 1.020 33.887 13.380 5.234 -99.200 -91.000 TRP 67 1.040 28.801 16.406 -5.450 -99.200 -91.000 TRP6 67 1.020 31.071 16.856 -5.027 -99.200 -91.000 TYR 71 0.840 33.168 29.747 -9.996 -99.200 -91.000 HIS 75 0.900 20.971 19.955 -11.811 -99.200 -91.000 TRP 80 1.040 33.081 11.079 1.228 -99.200 -91.000 TRP6 80 1.020 32.269 13.012 0.169 -99.200 -91.000 TYR 84 0.840 40.848 11.384 13.971 -99.200 -91.000 TRP 96 1.040 32.555 7.340 -1.958 -99.200 -91.000 TRP6 96 1.020 31.470 7.056 -4.034 -99.200 -91.000 TRP 108 1.040 16.365 1.527 -13.054 -99.200 -91.000 TRP6 108 1.020 18.385 0.424 -13.530 -99.200 -91.000 HIS 115 0.900 36.406 1.135 -1.540 -99.200 -91.000 PHE 118 1.000 38.508 11.695 2.362 -99.200 -91.000