============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 13 1.000 32.121 11.230 -1.229 -99.200 -91.000 HIS 23 0.900 19.402 16.625 12.760 -99.200 -91.000 TYR 26 0.840 23.803 4.916 6.689 -99.200 -91.000 PHE 27 1.000 26.283 12.464 3.389 -99.200 -91.000 HIS 30 0.900 25.821 8.801 -7.617 -99.200 -91.000 TYR 38 0.840 28.266 21.268 -20.715 -99.200 -91.000 PHE 42 1.000 30.226 16.594 -28.134 -99.200 -91.000 PHE 60 1.000 37.359 9.879 -2.430 -99.200 -91.000 TYR 62 0.840 45.416 6.550 -9.869 -99.200 -91.000 TRP 67 1.040 31.717 7.702 -14.158 -99.200 -91.000 TRP6 67 1.020 30.129 6.043 -13.584 -99.200 -91.000 HIS 77 0.900 45.830 14.485 -24.791 -99.200 -91.000 PHE 89 1.000 29.642 17.848 -5.924 -99.200 -91.000 PHE 90 1.000 30.558 15.471 2.012 -99.200 -91.000 HIS 94 0.900 14.417 16.763 -2.779 -99.200 -91.000 TYR 95 0.840 16.225 21.992 6.066 -99.200 -91.000 TYR 105 0.840 31.115 23.624 -4.452 -99.200 -91.000 TYR 106 0.840 34.556 19.772 3.263 -99.200 -91.000 TYR 124 0.840 43.184 16.339 -26.273 -99.200 -91.000 HIS 132 0.900 31.307 23.644 -22.116 -99.200 -91.000 TYR 149 0.840 41.478 34.690 -19.886 -99.200 -91.000 PHE 152 1.000 37.047 29.236 -24.144 -99.200 -91.000 PHE 160 1.000 32.472 30.708 -19.599 -99.200 -91.000 TRP 169 1.040 32.786 33.225 -9.304 -99.200 -91.000 TRP6 169 1.020 33.915 33.565 -11.368 -99.200 -91.000 PHE 185 1.000 39.930 34.075 -25.275 -99.200 -91.000 HIS 186 0.900 31.528 35.227 -31.851 -99.200 -91.000 PHE 189 1.000 27.312 25.571 -29.998 -99.200 -91.000 PHE 213 1.000 24.798 36.887 -21.541 -99.200 -91.000 TYR 216 0.840 29.953 40.275 -25.036 -99.200 -91.000 TYR 232 0.840 16.885 33.911 -26.903 -99.200 -91.000 TYR 233 0.840 18.192 28.928 -34.407 -99.200 -91.000 TYR 238 0.840 11.693 25.197 -30.140 -99.200 -91.000 TYR 239 0.840 9.057 27.560 -23.213 -99.200 -91.000 TYR 243 0.840 8.877 16.599 -21.531 -99.200 -91.000 PHE 261 1.000 21.685 23.489 -28.483 -99.200 -91.000 TYR 265 0.840 25.945 23.304 -34.440 -99.200 -91.000 TYR 266 0.840 29.754 20.459 -33.068 -99.200 -91.000 PHE 269 1.000 19.249 15.050 -33.789 -99.200 -91.000 TYR 277 0.840 15.777 13.983 -30.166 -99.200 -91.000 PHE 304 1.000 10.950 12.038 -21.761 -99.200 -91.000