============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 14 1.040 13.676 18.274 15.778 -99.200 -91.000 TRP6 14 1.020 12.213 19.316 17.315 -99.200 -91.000 TRP 35 1.040 18.028 28.843 4.664 -99.200 -91.000 TRP6 35 1.020 19.898 28.731 3.218 -99.200 -91.000 HIS 41 0.900 30.030 12.287 7.160 -99.200 -91.000 PHE 43 1.000 25.379 17.062 1.203 -99.200 -91.000 TRP 49 1.040 27.251 18.118 -6.889 -99.200 -91.000 TRP6 49 1.020 27.574 18.494 -4.573 -99.200 -91.000 HIS 59 0.900 7.590 6.700 12.329 -99.200 -91.000 HIS 64 0.900 6.455 7.082 -0.137 -99.200 -91.000 TYR 82 0.840 34.337 18.089 4.702 -99.200 -91.000 HIS 89 0.900 36.467 23.816 10.338 -99.200 -91.000 HIS 97 0.900 13.028 25.306 -6.750 -99.200 -91.000 HIS 105 0.900 2.281 14.069 11.962 -99.200 -91.000 PHE 116 1.000 20.014 29.051 25.290 -99.200 -91.000 PHE 123 1.000 28.938 23.825 30.711 -99.200 -91.000 PHE 126 1.000 21.502 11.464 30.053 -99.200 -91.000 TRP 132 1.040 14.318 6.892 8.929 -99.200 -91.000 TRP6 132 1.020 14.286 9.265 8.721 -99.200 -91.000 TYR 173 0.840 36.385 24.936 14.616 -99.200 -91.000 PHE 175 1.000 28.493 17.869 20.914 -99.200 -91.000 TYR 179 0.840 24.850 6.027 26.946 -99.200 -91.000 HIS 195 0.900 23.984 16.412 21.008 -99.200 -91.000 HIS 198 0.900 12.616 19.358 26.447 -99.200 -91.000 TYR 199 0.840 18.050 25.898 29.597 -99.200 -91.000 TRP 203 1.040 12.579 19.313 22.453 -99.200 -91.000 TRP6 203 1.020 14.000 17.539 23.132 -99.200 -91.000 TYR 204 0.840 16.871 26.335 22.500 -99.200 -91.000 TRP 211 1.040 34.623 12.471 13.948 -99.200 -91.000 TRP6 211 1.020 36.277 11.360 15.228 -99.200 -91.000 HIS 220 0.900 37.163 4.158 20.366 -99.200 -91.000 PHE 221 1.000 32.588 8.379 25.771 -99.200 -91.000 TYR 224 0.840 26.883 13.101 18.430 -99.200 -91.000 TYR 230 0.840 31.095 24.970 12.297 -99.200 -91.000 TRP 233 1.040 30.214 29.385 7.499 -99.200 -91.000 TRP6 233 1.020 29.066 27.392 6.920 -99.200 -91.000 PHE 252 1.000 34.263 28.363 10.624 -99.200 -91.000