============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 7 1.040 10.831 3.329 33.668 -99.200 -91.000 TRP6 7 1.020 8.819 3.491 32.446 -99.200 -91.000 PHE 19 1.000 10.067 13.325 30.777 -99.200 -91.000 TYR 22 0.840 14.958 7.791 32.386 -99.200 -91.000 TYR 38 0.840 15.310 16.879 0.026 -99.200 -91.000 TRP 59 1.040 17.103 -2.280 15.975 -99.200 -91.000 TRP6 59 1.020 16.073 -3.822 17.445 -99.200 -91.000 HIS 61 0.900 12.550 -6.140 6.581 -99.200 -91.000 TYR 65 0.840 14.642 -8.845 17.401 -99.200 -91.000 TRP 82 1.040 6.000 1.283 11.878 -99.200 -91.000 TRP6 82 1.020 5.168 -0.329 13.398 -99.200 -91.000 TYR 84 0.840 3.941 6.117 1.613 -99.200 -91.000 TYR 85 0.840 11.425 -0.697 6.371 -99.200 -91.000 TYR 98 0.840 -8.131 -0.278 6.959 -99.200 -91.000 HIS 105 0.900 0.745 18.966 12.828 -99.200 -91.000 HIS 110 0.900 -2.135 10.048 -0.657 -99.200 -91.000 TRP 116 1.040 4.223 6.060 -5.982 -99.200 -91.000 TRP6 116 1.020 2.181 6.642 -7.038 -99.200 -91.000 PHE 121 1.000 -1.156 5.679 3.605 -99.200 -91.000 PHE 128 1.000 -8.768 -0.369 19.625 -99.200 -91.000 PHE 163 1.000 -1.532 -9.594 17.330 -99.200 -91.000 TRP 166 1.040 -8.125 -6.093 13.220 -99.200 -91.000 TRP6 166 1.020 -8.180 -5.455 10.942 -99.200 -91.000 HIS 168 0.900 -7.255 -14.957 7.821 -99.200 -91.000 PHE 174 1.000 2.778 -12.363 15.775 -99.200 -91.000 TYR 182 0.840 4.990 -1.163 33.744 -99.200 -91.000 HIS 183 0.900 0.573 -1.722 33.741 -99.200 -91.000 PHE 197 1.000 -2.594 -15.660 17.705 -99.200 -91.000 PHE 206 1.000 16.514 3.474 15.959 -99.200 -91.000 HIS 212 0.900 9.008 -1.347 30.605 -99.200 -91.000 TYR 215 0.840 6.924 -1.565 18.830 -99.200 -91.000 TYR 216 0.840 2.957 -11.545 20.487 -99.200 -91.000 HIS 226 0.900 13.090 -15.306 32.294 -99.200 -91.000 PHE 253 1.000 17.870 9.578 4.422 -99.200 -91.000