============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 12 0.840 -11.502 47.836 -10.395 -99.200 -91.000 TYR 14 0.840 -18.610 43.956 -3.898 -99.200 -91.000 TYR 17 0.840 -19.521 51.147 4.464 -99.200 -91.000 PHE 20 1.000 -26.566 43.264 11.184 -99.200 -91.000 TYR 25 0.840 -20.576 44.513 12.970 -99.200 -91.000 TYR 31 0.840 -15.886 45.543 -9.347 -99.200 -91.000 TRP 45 1.040 -24.648 42.302 5.362 -99.200 -91.000 TRP6 45 1.020 -23.250 42.779 7.207 -99.200 -91.000 PHE 50 1.000 -28.660 42.153 -3.596 -99.200 -91.000 PHE 53 1.000 -21.485 45.380 -6.861 -99.200 -91.000 TYR 58 0.840 -23.648 51.529 -18.332 -99.200 -91.000 HIS 61 0.900 -14.935 48.890 -13.853 -99.200 -91.000 HIS 72 0.900 -20.310 33.041 4.697 -99.200 -91.000 HIS 74 0.900 -23.991 33.119 7.715 -99.200 -91.000 TYR 83 0.840 -29.578 42.656 -9.031 -99.200 -91.000 PHE 84 1.000 -24.853 40.029 -8.477 -99.200 -91.000 TYR 92 0.840 -20.399 28.805 -11.783 -99.200 -91.000 TYR 111 0.840 -24.563 26.338 -14.370 -99.200 -91.000 PHE 113 1.000 -17.585 25.528 -6.439 -99.200 -91.000 PHE 119 1.000 -15.239 29.148 -10.656 -99.200 -91.000 PHE 126 1.000 -12.385 33.341 -10.723 -99.200 -91.000 TYR 129 0.840 -7.853 25.544 0.421 -99.200 -91.000 TYR 130 0.840 -14.640 23.147 3.258 -99.200 -91.000 HIS 135 0.900 -18.900 33.428 9.338 -99.200 -91.000 TRP 143 1.040 -4.070 31.916 -5.143 -99.200 -91.000 TRP6 143 1.020 -2.903 33.623 -3.994 -99.200 -91.000 PHE 144 1.000 -9.699 36.812 -7.664 -99.200 -91.000 TYR 166 0.840 -24.674 34.071 13.093 -99.200 -91.000 TYR 171 0.840 -19.171 23.257 12.685 -99.200 -91.000 TRP 175 1.040 -12.303 30.718 12.304 -99.200 -91.000 TRP6 175 1.020 -14.180 31.939 13.073 -99.200 -91.000 HIS 180 0.900 -2.703 27.698 12.513 -99.200 -91.000 PHE 186 1.000 -4.703 29.844 -1.299 -99.200 -91.000 TYR 191 0.840 -2.601 44.490 -1.803 -99.200 -91.000 HIS 196 0.900 -18.792 41.038 7.800 -99.200 -91.000 TRP 199 1.040 -9.922 46.001 2.398 -99.200 -91.000 TRP6 199 1.020 -7.921 45.811 1.145 -99.200 -91.000 HIS 207 0.900 -7.783 40.988 16.334 -99.200 -91.000 TYR 215 0.840 -16.131 31.332 21.764 -99.200 -91.000