============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 3 1.000 8.284 3.225 -25.557 -99.200 -91.000 PHE 21 1.000 16.708 -2.006 -26.044 -99.200 -91.000 PHE 27 1.000 19.141 -8.997 -24.588 -99.200 -91.000 PHE 33 1.000 23.366 -16.067 -15.153 -99.200 -91.000 TRP 35 1.040 17.267 -12.516 -22.714 -99.200 -91.000 TRP6 35 1.020 15.855 -11.750 -24.453 -99.200 -91.000 HIS 36 0.900 23.819 -18.357 -27.845 -99.200 -91.000 TYR 43 0.840 22.485 -10.748 -27.710 -99.200 -91.000 PHE 48 1.000 8.401 -12.417 -16.790 -99.200 -91.000 TYR 64 0.840 11.834 -9.887 -35.560 -99.200 -91.000 PHE 71 1.000 6.307 -2.148 -25.949 -99.200 -91.000 TRP 75 1.040 7.184 -9.387 -23.811 -99.200 -91.000 TRP6 75 1.020 8.822 -10.816 -22.876 -99.200 -91.000 TYR 78 0.840 12.614 -9.401 -19.692 -99.200 -91.000 PHE 79 1.000 13.528 -6.071 -23.562 -99.200 -91.000 TYR 82 0.840 6.475 2.040 -19.646 -99.200 -91.000 TYR 85 0.840 18.096 2.465 -17.488 -99.200 -91.000 PHE 104 1.000 32.992 -1.627 -22.359 -99.200 -91.000 PHE 116 1.000 10.904 -20.978 -8.640 -99.200 -91.000 PHE 122 1.000 22.107 -13.520 -10.820 -99.200 -91.000 TYR 150 0.840 11.250 -17.035 -32.632 -99.200 -91.000 TYR 155 0.840 14.369 -21.498 -28.731 -99.200 -91.000 TYR 156 0.840 12.719 -28.318 -23.751 -99.200 -91.000 PHE 158 1.000 13.898 -21.608 -13.865 -99.200 -91.000 HIS 165 0.900 7.738 -29.784 -3.135 -99.200 -91.000 PHE 167 1.000 14.061 -30.745 -11.312 -99.200 -91.000 PHE 172 1.000 16.943 -28.649 -8.082 -99.200 -91.000 PHE 179 1.000 29.508 -25.512 -4.432 -99.200 -91.000 TYR 183 0.840 24.477 -24.395 -0.996 -99.200 -91.000 TYR 192 0.840 4.711 -27.561 -2.908 -99.200 -91.000 TYR 200 0.840 6.150 -10.077 3.674 -99.200 -91.000 HIS 210 0.900 21.166 -7.602 1.234 -99.200 -91.000 PHE 216 1.000 14.661 -17.916 -0.319 -99.200 -91.000 PHE 230 1.000 21.079 -8.306 -11.722 -99.200 -91.000 TYR 235 0.840 15.733 0.246 -9.657 -99.200 -91.000 PHE 238 1.000 28.533 -1.052 -5.271 -99.200 -91.000 TRP 243 1.040 34.874 -10.126 -13.071 -99.200 -91.000 TRP6 243 1.020 36.977 -9.715 -14.074 -99.200 -91.000 TYR 252 0.840 34.941 5.565 -6.403 -99.200 -91.000 PHE 265 1.000 33.927 3.880 -0.573 -99.200 -91.000 PHE 270 1.000 28.665 4.628 -6.712 -99.200 -91.000 PHE 276 1.000 19.412 1.919 -12.088 -99.200 -91.000 TYR 280 0.840 25.769 2.379 -16.226 -99.200 -91.000 PHE 282 1.000 29.948 -8.379 -13.359 -99.200 -91.000 TYR 283 0.840 29.038 -4.448 -20.684 -99.200 -91.000 TYR 284 0.840 36.098 0.088 -18.343 -99.200 -91.000