============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TYR 15 0.840 -8.994 13.479 4.176 -99.200 -91.000 TYR 21 0.840 -10.692 26.023 -1.656 -99.200 -91.000 PHE 51 1.000 1.283 16.277 11.135 -99.200 -91.000 TRP 54 1.040 10.160 18.205 15.673 -99.200 -91.000 TRP6 54 1.020 10.531 19.173 13.546 -99.200 -91.000 PHE 63 1.000 -2.705 25.357 15.348 -99.200 -91.000 TYR 65 0.840 -7.146 28.910 18.025 -99.200 -91.000 TYR 78 0.840 -1.336 20.459 13.548 -99.200 -91.000 TRP 83 1.040 -9.638 11.609 8.692 -99.200 -91.000 TRP6 83 1.020 -10.719 10.668 10.577 -99.200 -91.000 TYR 85 0.840 1.938 11.118 9.708 -99.200 -91.000 TYR 86 0.840 -1.116 10.456 13.489 -99.200 -91.000 PHE 92 1.000 -5.124 34.550 23.258 -99.200 -91.000 HIS 95 0.900 -0.668 40.200 23.804 -99.200 -91.000 PHE 99 1.000 -10.796 44.729 18.513 -99.200 -91.000 PHE 105 1.000 -13.528 32.492 16.185 -99.200 -91.000 TYR 113 0.840 -12.603 24.110 15.107 -99.200 -91.000 TYR 118 0.840 0.013 28.231 29.265 -99.200 -91.000 PHE 132 1.000 4.812 31.067 22.640 -99.200 -91.000 PHE 135 1.000 3.390 26.288 25.794 -99.200 -91.000 PHE 139 1.000 1.466 22.688 28.751 -99.200 -91.000 HIS 151 0.900 7.528 34.113 3.494 -99.200 -91.000 PHE 155 1.000 8.245 42.809 13.444 -99.200 -91.000 HIS 158 0.900 14.449 38.975 6.194 -99.200 -91.000 TRP 169 1.040 10.938 34.144 20.988 -99.200 -91.000 TRP6 169 1.020 8.698 33.468 20.670 -99.200 -91.000 PHE 172 1.000 8.875 27.642 20.275 -99.200 -91.000 TYR 173 0.840 14.060 22.387 14.584 -99.200 -91.000 HIS 180 0.900 2.426 28.050 1.207 -99.200 -91.000 TRP 181 1.040 -1.895 29.125 2.605 -99.200 -91.000 TRP6 181 1.020 -4.209 28.719 2.410 -99.200 -91.000 TRP 187 1.040 -10.254 37.990 3.066 -99.200 -91.000 TRP6 187 1.020 -10.861 38.089 5.368 -99.200 -91.000 PHE 189 1.000 -9.395 25.760 3.719 -99.200 -91.000 TYR 192 0.840 -15.717 24.746 -0.147 -99.200 -91.000 TYR 201 0.840 -11.105 38.480 10.723 -99.200 -91.000 TYR 203 0.840 -20.776 43.615 12.936 -99.200 -91.000 PHE 205 1.000 -12.708 45.958 13.686 -99.200 -91.000 HIS 219 0.900 -7.443 51.628 1.663 -99.200 -91.000 PHE 233 1.000 -12.401 36.072 -1.672 -99.200 -91.000 TRP 235 1.040 -18.653 28.157 -7.303 -99.200 -91.000 TRP6 235 1.020 -17.765 26.571 -5.798 -99.200 -91.000 TYR 241 0.840 -17.830 20.008 3.748 -99.200 -91.000 HIS 243 0.900 -19.885 22.439 8.110 -99.200 -91.000 HIS 266 0.900 -22.737 57.938 15.016 -99.200 -91.000 TYR 269 0.840 -16.065 51.021 8.190 -99.200 -91.000 TYR 270 0.840 -18.591 47.305 0.042 -99.200 -91.000 TRP 273 1.040 -16.542 38.339 3.132 -99.200 -91.000 TRP6 273 1.020 -16.896 38.065 5.468 -99.200 -91.000 TYR 274 0.840 -17.604 42.723 -0.411 -99.200 -91.000