============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TYR 12 0.840 10.280 9.239 0.487 -99.200 -91.000 PHE 29 1.000 4.684 15.006 15.474 -99.200 -91.000 PHE 30 1.000 10.555 9.076 12.669 -99.200 -91.000 TYR 33 0.840 7.906 9.910 21.593 -99.200 -91.000 TRP 46 1.040 6.359 -0.261 -4.655 -99.200 -91.000 TRP6 46 1.020 6.521 0.158 -2.331 -99.200 -91.000 TRP 67 1.040 8.743 -2.355 3.799 -99.200 -91.000 TRP6 67 1.020 10.373 -2.693 2.127 -99.200 -91.000 HIS 73 0.900 3.708 -10.401 5.991 -99.200 -91.000 TYR 89 0.840 10.814 -8.765 14.399 -99.200 -91.000 HIS 107 0.900 -11.275 0.645 -22.410 -99.200 -91.000 TYR 122 0.840 -15.547 -2.635 -23.895 -99.200 -91.000 PHE 126 1.000 -10.373 -3.243 -25.825 -99.200 -91.000 PHE 134 1.000 -9.634 -3.360 -20.156 -99.200 -91.000 HIS 138 0.900 0.966 -5.314 -10.965 -99.200 -91.000 PHE 140 1.000 7.565 -5.798 -6.254 -99.200 -91.000 PHE 147 1.000 -2.456 -9.476 -3.022 -99.200 -91.000 TRP 148 1.040 -5.224 -1.974 -3.383 -99.200 -91.000 TRP6 148 1.020 -5.662 -3.370 -1.519 -99.200 -91.000 TYR 151 0.840 -12.521 -8.357 -3.962 -99.200 -91.000 TRP 152 1.040 -12.739 -2.524 -10.741 -99.200 -91.000 TRP6 152 1.020 -11.670 -2.289 -12.835 -99.200 -91.000 PHE 153 1.000 -9.247 -5.914 -14.757 -99.200 -91.000 PHE 186 1.000 -0.983 3.516 -12.968 -99.200 -91.000 TRP 192 1.040 1.167 8.152 -10.017 -99.200 -91.000 TRP6 192 1.020 2.175 9.163 -11.907 -99.200 -91.000 TYR 194 0.840 -5.656 17.593 -9.249 -99.200 -91.000 TYR 203 0.840 -13.548 5.795 -16.768 -99.200 -91.000 TRP 212 1.040 -11.639 -4.290 2.884 -99.200 -91.000 TRP6 212 1.020 -9.689 -5.625 2.954 -99.200 -91.000 TYR 214 0.840 -13.575 3.730 6.772 -99.200 -91.000 HIS 215 0.900 -7.615 -0.115 1.179 -99.200 -91.000 TYR 219 0.840 0.133 -3.083 7.254 -99.200 -91.000 TRP 226 1.040 18.215 -0.922 13.059 -99.200 -91.000 TRP6 226 1.020 16.687 0.236 14.450 -99.200 -91.000 TRP 247 1.040 0.670 17.966 13.558 -99.200 -91.000 TRP6 247 1.020 1.378 18.675 11.417 -99.200 -91.000 TYR 266 0.840 10.914 14.816 2.687 -99.200 -91.000 PHE 267 1.000 5.087 12.553 -1.534 -99.200 -91.000 PHE 278 1.000 -2.730 14.395 2.116 -99.200 -91.000 TYR 282 0.840 -9.789 10.886 -4.077 -99.200 -91.000 PHE 294 1.000 -10.518 14.146 6.819 -99.200 -91.000 TYR 300 0.840 -1.947 9.525 6.030 -99.200 -91.000 TRP 301 1.040 -4.756 8.234 15.924 -99.200 -91.000 TRP6 301 1.020 -3.011 6.817 16.666 -99.200 -91.000 TYR 310 0.840 -3.434 -3.761 16.828 -99.200 -91.000 TYR 312 0.840 -7.247 -4.059 13.813 -99.200 -91.000 HIS 315 0.900 -6.891 -5.270 8.586 -99.200 -91.000 TRP 318 1.040 -8.232 -10.097 2.084 -99.200 -91.000 TRP6 318 1.020 -7.070 -8.773 0.504 -99.200 -91.000 PHE 319 1.000 -2.633 -6.807 2.648 -99.200 -91.000 TRP 326 1.040 -5.625 -13.125 -7.119 -99.200 -91.000 TRP6 326 1.020 -7.326 -13.603 -8.690 -99.200 -91.000 PHE 328 1.000 -0.378 -13.618 -6.873 -99.200 -91.000 HIS 329 0.9