============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 91.013 -17.399 13.394 -99.200 -91.000 TYR 31 0.840 73.290 -18.988 11.100 -99.200 -91.000 TYR 36 0.840 76.265 -21.766 16.866 -99.200 -91.000 TYR 37 0.840 78.182 -19.188 24.299 -99.200 -91.000 PHE 38 1.000 82.933 -18.048 17.795 -99.200 -91.000 TRP 40 1.040 90.108 -14.531 19.911 -99.200 -91.000 TRP6 40 1.020 87.752 -14.302 19.678 -99.200 -91.000 TYR 42 0.840 96.750 -14.802 29.359 -99.200 -91.000 PHE 57 1.000 84.841 -10.204 29.288 -99.200 -91.000 PHE 66 1.000 71.097 -6.625 31.125 -99.200 -91.000 TYR 89 0.840 56.143 7.764 38.614 -99.200 -91.000 TRP 90 1.040 63.280 12.697 44.142 -99.200 -91.000 TRP6 90 1.020 65.279 13.108 42.945 -99.200 -91.000 TRP 98 1.040 63.492 19.114 37.789 -99.200 -91.000 TRP6 98 1.020 64.340 17.234 36.645 -99.200 -91.000 HIS 105 0.900 59.799 14.892 28.110 -99.200 -91.000 TYR 109 0.840 69.726 8.398 26.378 -99.200 -91.000 PHE 131 1.000 73.198 16.993 38.579 -99.200 -91.000 TYR 132 0.840 69.052 14.369 38.731 -99.200 -91.000 TRP 135 1.040 69.764 20.067 34.253 -99.200 -91.000 TRP6 135 1.020 67.549 19.776 33.461 -99.200 -91.000 TRP 139 1.040 68.906 22.648 23.651 -99.200 -91.000 TRP6 139 1.020 70.441 20.960 24.304 -99.200 -91.000 TYR 147 0.840 74.543 7.666 25.808 -99.200 -91.000 PHE 155 1.000 62.675 4.877 32.676 -99.200 -91.000 PHE 167 1.000 68.387 -0.099 38.458 -99.200 -91.000 PHE 176 1.000 70.627 -8.617 36.380 -99.200 -91.000 HIS 183 0.900 77.123 -18.182 36.642 -99.200 -91.000 TRP 185 1.040 76.103 -11.708 40.487 -99.200 -91.000 TRP6 185 1.020 74.701 -11.793 42.395 -99.200 -91.000 TYR 196 0.840 84.417 -7.446 38.345 -99.200 -91.000 TRP 198 1.040 91.835 -7.810 38.088 -99.200 -91.000 TRP6 198 1.020 91.395 -6.027 39.569 -99.200 -91.000 TYR 200 0.840 94.374 -5.849 32.297 -99.200 -91.000 HIS 207 0.900 87.607 -5.321 38.940 -99.200 -91.000 TYR 218 0.840 78.509 4.339 35.462 -99.200 -91.000 TRP 230 1.040 70.276 -8.081 27.515 -99.200 -91.000 TRP6 230 1.020 68.266 -7.770 28.724 -99.200 -91.000 TYR 256 0.840 59.284 4.685 23.550 -99.200 -91.000 TRP 257 1.040 61.898 10.735 21.936 -99.200 -91.000 TRP6 257 1.020 60.627 12.736 21.938 -99.200 -91.000 TYR 263 0.840 63.332 5.112 13.316 -99.200 -91.000 TRP 268 1.040 67.454 -3.110 23.709 -99.200 -91.000 TRP6 268 1.020 69.576 -4.106 23.344 -99.200 -91.000 TRP 273 1.040 68.698 -6.156 7.715 -99.200 -91.000 TRP6 273 1.020 71.027 -6.040 8.087 -99.200 -91.000 TRP 309 1.040 72.684 -2.522 13.862 -99.200 -91.000 TRP6 309 1.020 74.059 -4.271 13.043 -99.200 -91.000 HIS 311 0.900 73.599 0.271 17.214 -99.200 -91.000 PHE 319 1.000 86.090 -4.900 32.189 -99.200 -91.000 TYR 322 0.840 77.833 -2.896 18.612 -99.200 -91.000 PHE 325 1.000 68.385 -7.260 19.649 -99.200 -91.000 TYR 341 0.840 87.282 -2.736 21.059 -99.200 -91.000 TRP 351 1.040 76.708 -4.034 8.522 -99.200 -91.000 TRP6 351 1.020