============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 9 1.000 71.078 18.853 2.684 -99.200 -91.000 HIS 30 0.900 76.654 42.948 -20.827 -99.200 -91.000 TYR 36 0.840 78.647 41.542 -14.968 -99.200 -91.000 TYR 38 0.840 75.800 38.029 -6.131 -99.200 -91.000 TRP 39 1.040 80.170 30.997 -6.654 -99.200 -91.000 TRP6 39 1.020 78.943 28.987 -6.573 -99.200 -91.000 TYR 40 0.840 74.267 34.572 -0.873 -99.200 -91.000 TYR 53 0.840 83.571 41.431 -6.768 -99.200 -91.000 PHE 66 1.000 86.293 29.472 0.513 -99.200 -91.000 PHE 75 1.000 77.993 29.779 -14.257 -99.200 -91.000 TYR 90 0.840 80.205 27.297 1.098 -99.200 -91.000 TYR 91 0.840 72.091 30.357 0.234 -99.200 -91.000 PHE 102 1.000 69.224 36.959 -4.732 -99.200 -91.000 PHE 122 1.000 72.564 21.264 32.763 -99.200 -91.000 PHE 139 1.000 72.084 22.241 27.531 -99.200 -91.000 PHE 143 1.000 74.541 14.296 18.732 -99.200 -91.000 TYR 144 0.840 80.132 12.744 12.015 -99.200 -91.000 TRP 152 1.040 63.236 14.034 28.496 -99.200 -91.000 TRP6 152 1.020 64.324 15.126 30.287 -99.200 -91.000 TRP 167 1.040 67.534 17.006 16.994 -99.200 -91.000 TRP6 167 1.020 65.166 17.222 16.961 -99.200 -91.000 TYR 177 0.840 75.879 16.989 12.745 -99.200 -91.000 TYR 190 0.840 60.844 19.088 39.537 -99.200 -91.000 HIS 193 0.900 55.885 11.825 38.849 -99.200 -91.000 TYR 196 0.840 61.248 14.688 37.410 -99.200 -91.000 HIS 202 0.900 76.018 8.938 18.444 -99.200 -91.000 PHE 213 1.000 66.775 16.330 38.320 -99.200 -91.000