============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 14 1.040 -46.175 -20.491 25.967 -99.200 -91.000 TRP6 14 1.020 -48.029 -20.008 24.662 -99.200 -91.000 PHE 19 1.000 -28.766 -26.421 26.255 -99.200 -91.000 TRP 37 1.040 -37.825 -7.579 29.539 -99.200 -91.000 TRP6 37 1.020 -36.862 -7.427 31.631 -99.200 -91.000 HIS 43 0.900 -36.332 -23.760 40.921 -99.200 -91.000 TYR 47 0.840 -31.303 -24.639 47.154 -99.200 -91.000 TRP 49 1.040 -28.990 -28.564 46.319 -99.200 -91.000 TRP6 49 1.020 -30.685 -28.991 44.762 -99.200 -91.000 PHE 53 1.000 -26.004 -22.031 37.192 -99.200 -91.000 HIS 65 0.900 -41.347 -30.697 18.390 -99.200 -91.000 TYR 70 0.840 -28.724 -24.363 15.503 -99.200 -91.000 TYR 84 0.840 -33.393 -6.787 36.342 -99.200 -91.000 HIS 86 0.900 -39.744 -10.638 45.229 -99.200 -91.000 TYR 89 0.840 -34.950 -17.873 45.454 -99.200 -91.000 TRP 91 1.040 -31.515 -18.519 49.549 -99.200 -91.000 TRP6 91 1.020 -29.995 -19.291 51.160 -99.200 -91.000 TYR 113 0.840 -42.309 -23.014 13.461 -99.200 -91.000 HIS 115 0.900 -46.941 -14.462 18.883 -99.200 -91.000 HIS 129 0.900 -63.187 -20.168 39.750 -99.200 -91.000 PHE 132 1.000 -62.411 -23.809 36.232 -99.200 -91.000 TRP 139 1.040 -37.628 -29.824 24.912 -99.200 -91.000 TRP6 139 1.020 -37.751 -27.492 24.806 -99.200 -91.000 TRP 146 1.040 -32.615 -44.035 42.296 -99.200 -91.000 TRP6 146 1.020 -33.406 -45.970 41.250 -99.200 -91.000 PHE 183 1.000 -50.579 -21.828 40.533 -99.200 -91.000 TYR 187 0.840 -55.193 -35.673 36.686 -99.200 -91.000 PHE 206 1.000 -51.184 -24.536 35.757 -99.200 -91.000 TYR 212 0.840 -63.896 -14.230 29.982 -99.200 -91.000 TRP 216 1.040 -53.137 -20.942 24.597 -99.200 -91.000 TRP6 216 1.020 -53.159 -22.886 25.890 -99.200 -91.000 TYR 217 0.840 -54.871 -14.125 29.533 -99.200 -91.000 TRP 224 1.040 -42.205 -25.879 46.373 -99.200 -91.000 TRP6 224 1.020 -42.887 -27.453 47.955 -99.200 -91.000 TYR 234 0.840 -52.310 -33.086 45.489 -99.200 -91.000 PHE 236 1.000 -47.115 -27.117 46.868 -99.200 -91.000 TYR 237 0.840 -47.224 -26.283 38.715 -99.200 -91.000 HIS 239 0.900 -51.475 -16.649 42.550 -99.200 -91.000 PHE 241 1.000 -53.628 -10.976 39.149 -99.200 -91.000 TRP 246 1.040 -40.923 -8.043 40.972 -99.200 -91.000 TRP6 246 1.020 -40.672 -9.938 39.633 -99.200 -91.000