============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. HIS 3 0.900 22.033 -12.540 0.658 -99.200 -91.000 TYR 7 0.840 10.532 -3.965 -5.297 -99.200 -91.000 PHE 8 1.000 9.248 -2.927 3.228 -99.200 -91.000 HIS 9 0.900 4.528 -1.318 -2.874 -99.200 -91.000 PHE 22 1.000 2.903 4.737 -4.415 -99.200 -91.000 TYR 27 0.840 14.541 -0.808 2.958 -99.200 -91.000 PHE 33 1.000 16.368 -2.397 -4.815 -99.200 -91.000 PHE 36 1.000 6.807 7.498 -7.990 -99.200 -91.000 TRP 51 1.040 23.745 -2.455 -4.661 -99.200 -91.000 TRP6 51 1.020 21.505 -3.148 -4.990 -99.200 -91.000 TYR 59 0.840 15.742 -1.544 -12.817 -99.200 -91.000 TRP 60 1.040 17.134 3.580 -13.598 -99.200 -91.000 TRP6 60 1.020 16.812 3.199 -11.315 -99.200 -91.000 TYR 84 0.840 -14.546 -3.257 -0.382 -99.200 -91.000 TYR 85 0.840 -12.816 -1.830 6.483 -99.200 -91.000 HIS 93 0.900 -9.902 6.456 6.706 -99.200 -91.000 TYR 99 0.840 5.630 -6.434 -4.828 -99.200 -91.000 TYR 113 0.840 7.751 -13.127 3.279 -99.200 -91.000 HIS 114 0.900 0.279 -8.982 -2.884 -99.200 -91.000 HIS 116 0.900 -2.923 -4.910 -0.725 -99.200 -91.000 TYR 118 0.840 -8.720 1.394 5.167 -99.200 -91.000 TYR 123 0.840 -8.667 -5.157 2.919 -99.200 -91.000 TRP 133 1.040 -5.983 -14.739 -2.106 -99.200 -91.000 TRP6 133 1.020 -4.322 -13.087 -2.386 -99.200 -91.000 TRP 147 1.040 -7.588 -9.047 -5.099 -99.200 -91.000 TRP6 147 1.020 -5.976 -8.519 -3.460 -99.200 -91.000 TYR 159 0.840 7.354 -10.063 -8.761 -99.200 -91.000 TRP 167 1.040 14.531 -8.960 -12.617 -99.200 -91.000 TRP6 167 1.020 15.746 -7.290 -13.748 -99.200 -91.000 TYR 171 0.840 17.851 -5.892 -8.318 -99.200 -91.000 HIS 188 0.900 32.666 2.192 23.062 -99.200 -91.000 HIS 191 0.900 32.278 2.822 36.064 -99.200 -91.000 HIS 192 0.900 28.156 5.771 30.988 -99.200 -91.000 HIS 197 0.900 27.440 3.423 48.530 -99.200 -91.000 TRP 204 1.040 28.567 2.390 24.315 -99.200 -91.000 TRP6 204 1.020 27.021 3.981 23.543 -99.200 -91.000 PHE 208 1.000 24.991 -3.642 14.803 -99.200 -91.000 TYR 209 0.840 24.167 -4.516 5.589 -99.200 -91.000 TRP 217 1.040 25.974 -5.845 29.854 -99.200 -91.000 TRP6 217 1.020 28.239 -5.572 30.448 -99.200 -91.000 PHE 241 1.000 20.920 -1.267 10.308 -99.200 -91.000 TRP 244 1.040 22.844 2.262 24.329 -99.200 -91.000 TRP6 244 1.020 21.550 1.957 26.291 -99.200 -91.000 TYR 257 0.840 27.874 -7.379 36.831 -99.200 -91.000 HIS 260 0.900 29.462 -13.220 27.201 -99.200 -91.000 HIS 263 0.900 27.031 -8.339 12.640 -99.200 -91.000 TRP 274 1.040 35.015 0.214 32.838 -99.200 -91.000 TRP6 274 1.020 35.544 0.506 35.098 -99.200 -91.000