============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TRP 34 1.040 45.306 0.095 -25.404 -99.200 -91.000 TRP6 34 1.020 46.010 0.959 -27.484 -99.200 -91.000 PHE 36 1.000 52.339 -4.716 -23.416 -99.200 -91.000 TYR 46 0.840 54.472 -10.692 -39.316 -99.200 -91.000 TYR 49 0.840 48.498 -18.172 -41.087 -99.200 -91.000 HIS 68 0.900 42.183 7.492 -24.243 -99.200 -91.000 HIS 71 0.900 45.784 7.547 -18.549 -99.200 -91.000 TYR 81 0.840 49.851 3.061 -35.548 -99.200 -91.000 HIS 84 0.900 43.916 1.291 -41.981 -99.200 -91.000 TYR 92 0.840 65.251 -0.935 -35.269 -99.200 -91.000 TYR 93 0.840 57.909 4.404 -30.491 -99.200 -91.000 TYR 95 0.840 55.299 -0.902 -22.240 -99.200 -91.000 PHE 110 1.000 58.918 -6.517 -39.336 -99.200 -91.000 TYR 115 0.840 40.112 -5.342 -37.158 -99.200 -91.000 TYR 119 0.840 28.114 -9.567 -33.790 -99.200 -91.000 HIS 134 0.900 47.702 -24.709 -35.867 -99.200 -91.000 PHE 149 1.000 42.840 -11.539 -13.997 -99.200 -91.000 HIS 151 0.900 44.700 -13.787 -4.697 -99.200 -91.000 TYR 152 0.840 45.076 -17.849 -12.026 -99.200 -91.000 TYR 164 0.840 28.175 -1.904 -8.950 -99.200 -91.000 TYR 168 0.840 34.539 -3.659 -19.628 -99.200 -91.000 HIS 169 0.900 42.230 -5.284 -16.426 -99.200 -91.000 TYR 176 0.840 40.351 -25.813 -27.790 -99.200 -91.000 TYR 184 0.840 42.282 -25.926 -18.934 -99.200 -91.000 TRP 185 1.040 37.883 -19.875 -23.116 -99.200 -91.000 TRP6 185 1.020 37.728 -20.659 -25.325 -99.200 -91.000 TRP 191 1.040 48.568 -7.648 -15.539 -99.200 -91.000 TRP6 191 1.020 46.798 -8.124 -14.055 -99.200 -91.000 TRP 195 1.040 48.431 -12.711 -12.934 -99.200 -91.000 TRP6 195 1.020 47.367 -13.835 -14.702 -99.200 -91.000 TYR 200 0.840 51.185 -18.216 -21.638 -99.200 -91.000 TYR 202 0.840 46.480 -22.900 -17.018 -99.200 -91.000 PHE 203 1.000 41.237 -16.078 -17.436 -99.200 -91.000 TYR 215 0.840 32.587 -7.060 -26.491 -99.200 -91.000 TYR 217 0.840 38.004 -7.303 -31.390 -99.200 -91.000