============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 10.158 20.986 -46.494 -99.200 -91.000 TRP6 14 1.020 8.554 22.570 -47.225 -99.200 -91.000 PHE 19 1.000 18.114 9.758 -33.602 -99.200 -91.000 TRP 37 1.040 4.475 7.035 -50.502 -99.200 -91.000 TRP6 37 1.020 5.392 4.873 -50.790 -99.200 -91.000 HIS 43 0.900 24.937 8.741 -48.928 -99.200 -91.000 TYR 47 0.840 29.388 3.917 -49.655 -99.200 -91.000 TRP 49 1.040 32.529 4.854 -46.316 -99.200 -91.000 TRP6 49 1.020 31.548 6.982 -46.675 -99.200 -91.000 PHE 53 1.000 21.886 1.448 -40.528 -99.200 -91.000 HIS 65 0.900 14.193 25.071 -34.588 -99.200 -91.000 TYR 70 0.840 9.858 13.845 -27.660 -99.200 -91.000 TYR 84 0.840 8.297 0.010 -51.419 -99.200 -91.000 HIS 86 0.900 15.594 3.222 -60.096 -99.200 -91.000 TYR 89 0.840 22.616 3.307 -54.213 -99.200 -91.000 TRP 91 1.040 26.890 -0.211 -54.045 -99.200 -91.000 TRP6 91 1.020 28.983 -1.050 -53.353 -99.200 -91.000 PHE 110 1.000 -1.095 15.728 -44.328 -99.200 -91.000 TYR 113 0.840 5.221 23.303 -34.723 -99.200 -91.000 HIS 115 0.900 1.307 20.585 -45.556 -99.200 -91.000 TYR 132 0.840 18.204 31.043 -62.570 -99.200 -91.000 TRP 139 1.040 18.242 19.180 -37.189 -99.200 -91.000 TRP6 139 1.020 16.488 18.106 -38.375 -99.200 -91.000 TRP 146 1.040 38.497 11.969 -42.004 -99.200 -91.000 TRP6 146 1.020 40.760 11.811 -42.719 -99.200 -91.000 PHE 184 1.000 21.206 18.684 -58.969 -99.200 -91.000 TYR 188 0.840 28.277 32.522 -52.649 -99.200 -91.000 PHE 207 1.000 20.402 22.714 -53.874 -99.200 -91.000 PHE 213 1.000 7.046 28.781 -62.851 -99.200 -91.000 TRP 217 1.040 9.029 27.214 -50.156 -99.200 -91.000 TRP6 217 1.020 11.299 27.903 -50.311 -99.200 -91.000 TYR 218 0.840 7.617 22.033 -57.639 -99.200 -91.000 TRP 225 1.040 28.918 13.010 -54.726 -99.200 -91.000 TRP6 225 1.020 31.178 13.643 -55.011 -99.200 -91.000 TYR 235 0.840 32.221 24.050 -56.972 -99.200 -91.000 PHE 237 1.000 29.185 17.073 -58.006 -99.200 -91.000 TYR 238 0.840 23.863 19.548 -53.518 -99.200 -91.000 HIS 240 0.900 17.372 16.771 -62.889 -99.200 -91.000 PHE 242 1.000 9.823 16.388 -64.057 -99.200 -91.000 TRP 247 1.040 12.619 4.098 -58.580 -99.200 -91.000 TRP6 247 1.020 13.281 5.176 -56.584 -99.200 -91.000 PHE 255 1.000 4.656 -2.888 -53.792 -99.200 -91.000