============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 6 1.000 21.156 22.655 19.440 -99.200 -91.000 TYR 7 0.840 16.578 23.099 21.002 -99.200 -91.000 HIS 40 0.900 11.096 11.154 15.558 -99.200 -91.000 PHE 41 1.000 8.005 4.631 10.276 -99.200 -91.000 HIS 42 0.900 4.684 7.428 7.785 -99.200 -91.000 PHE 45 1.000 12.210 4.177 8.200 -99.200 -91.000 PHE 61 1.000 8.756 22.231 -1.478 -99.200 -91.000 PHE 68 1.000 1.160 6.130 -4.149 -99.200 -91.000 PHE 77 1.000 0.642 16.285 8.922 -99.200 -91.000 TRP 117 1.040 14.661 8.617 24.812 -99.200 -91.000 TRP6 117 1.020 12.498 7.849 24.239 -99.200 -91.000 PHE 130 1.000 13.830 16.005 0.369 -99.200 -91.000 PHE 142 1.000 1.836 -3.332 -0.223 -99.200 -91.000 PHE 143 1.000 7.362 -2.566 1.503 -99.200 -91.000 PHE 152 1.000 12.479 -0.332 9.905 -99.200 -91.000 HIS 170 0.900 2.657 -0.841 13.520 -99.200 -91.000 PHE 172 1.000 1.220 4.554 20.882 -99.200 -91.000 PHE 179 1.000 -3.537 0.969 5.002 -99.200 -91.000 TYR 185 0.840 -13.101 -10.792 4.364 -99.200 -91.000 PHE 187 1.000 -1.212 -12.942 3.008 -99.200 -91.000 TYR 201 0.840 -6.898 -10.025 16.281 -99.200 -91.000 PHE 221 1.000 -1.287 -0.812 13.547 -99.200 -91.000 PHE 229 1.000 5.759 2.535 23.444 -99.200 -91.000 TYR 233 0.840 3.950 -5.118 17.598 -99.200 -91.000 TYR 234 0.840 7.604 -6.246 20.601 -99.200 -91.000 PHE 251 1.000 6.306 -15.963 17.131 -99.200 -91.000 PHE 266 1.000 12.793 -6.257 21.654 -99.200 -91.000 PHE 273 1.000 8.682 -2.390 23.395 -99.200 -91.000 PHE 274 1.000 8.510 0.360 28.320 -99.200 -91.000 PHE 277 1.000 9.808 2.831 21.047 -99.200 -91.000