============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 6 1.000 24.104 -2.966 13.416 -99.200 -91.000 TRP 14 1.040 19.629 -8.926 29.933 -99.200 -91.000 TRP6 14 1.020 20.086 -11.173 29.365 -99.200 -91.000 PHE 15 1.000 18.853 -2.290 26.086 -99.200 -91.000 TYR 19 0.840 12.368 4.883 23.379 -99.200 -91.000 HIS 22 0.900 11.762 15.593 24.574 -99.200 -91.000 TYR 28 0.840 17.812 4.620 24.057 -99.200 -91.000 TRP 39 1.040 10.964 -2.996 41.746 -99.200 -91.000 TRP6 39 1.020 11.066 -0.727 42.407 -99.200 -91.000 HIS 45 0.900 25.039 8.989 33.156 -99.200 -91.000 PHE 47 1.000 16.535 7.590 34.361 -99.200 -91.000 TYR 50 0.840 15.391 17.576 31.407 -99.200 -91.000 TYR 56 0.840 12.443 10.128 32.361 -99.200 -91.000 TYR 59 0.840 8.017 1.377 23.737 -99.200 -91.000 PHE 75 1.000 5.802 -2.869 30.993 -99.200 -91.000 HIS 83 0.900 23.110 5.872 46.033 -99.200 -91.000 TYR 86 0.840 24.997 11.369 39.577 -99.200 -91.000 HIS 93 0.900 29.022 10.838 35.283 -99.200 -91.000 HIS 94 0.900 32.616 9.629 42.631 -99.200 -91.000 TYR 125 0.840 31.023 -6.250 49.628 -99.200 -91.000 PHE 130 1.000 39.128 -7.358 38.972 -99.200 -91.000 PHE 139 1.000 17.969 0.209 20.802 -99.200 -91.000 TYR 147 0.840 23.903 14.019 13.056 -99.200 -91.000 TYR 149 0.840 21.845 7.914 20.831 -99.200 -91.000 HIS 163 0.900 40.366 0.014 42.559 -99.200 -91.000 HIS 170 0.900 50.754 7.446 31.220 -99.200 -91.000 TYR 171 0.840 44.883 1.431 31.876 -99.200 -91.000 TYR 172 0.840 39.242 6.066 32.922 -99.200 -91.000 TRP 188 1.040 43.435 -0.633 24.335 -99.200 -91.000 TRP6 188 1.020 42.484 -0.166 26.449 -99.200 -91.000 TRP 217 1.040 32.761 6.938 35.323 -99.200 -91.000 TRP6 217 1.020 35.097 7.314 35.222 -99.200 -91.000 TYR 230 0.840 30.979 -1.098 31.814 -99.200 -91.000 HIS 235 0.900 31.638 -3.450 45.821 -99.200 -91.000 PHE 236 1.000 26.306 1.283 44.191 -99.200 -91.000 TRP 239 1.040 20.316 2.812 46.923 -99.200 -91.000 TRP6 239 1.020 19.535 2.662 44.696 -99.200 -91.000 HIS 243 0.900 16.326 3.115 48.106 -99.200 -91.000