============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 19 1.000 48.747 21.131 -7.827 -99.200 -91.000 HIS 23 0.900 33.330 20.450 -6.179 -99.200 -91.000 HIS 25 0.900 32.066 24.383 -2.469 -99.200 -91.000 PHE 33 1.000 23.758 31.483 7.817 -99.200 -91.000 TRP 37 1.040 23.602 34.114 12.755 -99.200 -91.000 TRP6 37 1.020 22.165 32.219 12.875 -99.200 -91.000 PHE 40 1.000 26.736 28.886 11.700 -99.200 -91.000 PHE 41 1.000 29.807 31.386 8.151 -99.200 -91.000 HIS 57 0.900 49.614 24.174 4.819 -99.200 -91.000 PHE 72 1.000 20.831 33.278 -5.216 -99.200 -91.000 HIS 91 0.900 46.003 33.807 -10.405 -99.200 -91.000 TRP 99 1.040 25.068 22.222 -3.841 -99.200 -91.000 TRP6 99 1.020 24.370 22.669 -1.604 -99.200 -91.000 PHE 100 1.000 22.668 19.318 -2.322 -99.200 -91.000 PHE 117 1.000 21.362 34.014 -11.384 -99.200 -91.000 PHE 118 1.000 22.285 28.915 -14.574 -99.200 -91.000 HIS 124 0.900 25.949 43.096 -15.211 -99.200 -91.000 PHE 146 1.000 15.038 24.841 -10.546 -99.200 -91.000 HIS 168 0.900 26.459 16.993 -5.186 -99.200 -91.000 PHE 183 1.000 25.517 18.689 -18.537 -99.200 -91.000 HIS 197 0.900 30.910 16.121 -5.456 -99.200 -91.000 TYR 206 0.840 29.554 7.004 -13.223 -99.200 -91.000 TYR 215 0.840 30.316 13.725 -20.823 -99.200 -91.000 TYR 224 0.840 35.280 15.999 2.417 -99.200 -91.000 PHE 239 1.000 35.673 14.001 7.056 -99.200 -91.000 TRP 244 1.040 45.479 9.584 2.741 -99.200 -91.000 TRP6 244 1.020 47.185 9.621 1.087 -99.200 -91.000 TYR 259 0.840 39.812 6.180 -20.559 -99.200 -91.000 HIS 267 0.900 42.435 19.503 -1.653 -99.200 -91.000 TRP 269 1.040 39.314 21.482 3.766 -99.200 -91.000 TRP6 269 1.020 38.709 19.340 4.623 -99.200 -91.000 PHE 271 1.000 40.067 27.375 3.484 -99.200 -91.000 PHE 273 1.000 29.661 21.857 5.219 -99.200 -91.000 TYR 276 0.840 26.575 17.839 7.609 -99.200 -91.000 PHE 294 1.000 44.854 14.396 1.794 -99.200 -91.000 PHE 302 1.000 49.219 6.360 -2.628 -99.200 -91.000 PHE 324 1.000 36.110 21.723 -16.598 -99.200 -91.000