============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. TYR 17 0.840 -9.326 -19.518 -39.247 -99.200 -91.000 PHE 31 1.000 -10.842 -32.156 -25.470 -99.200 -91.000 TYR 32 0.840 -11.295 -28.215 -28.696 -99.200 -91.000 HIS 39 0.900 -5.162 -18.220 -22.716 -99.200 -91.000 TYR 42 0.840 -17.845 -12.651 -30.381 -99.200 -91.000 TYR 49 0.840 -14.994 -16.661 -33.788 -99.200 -91.000 PHE 53 1.000 1.101 -17.802 -22.056 -99.200 -91.000 PHE 56 1.000 0.667 -11.402 -34.819 -99.200 -91.000 HIS 58 0.900 -10.966 -12.864 -33.271 -99.200 -91.000 HIS 59 0.900 -10.101 -16.906 -35.555 -99.200 -91.000 PHE 76 1.000 -2.772 -24.192 -44.902 -99.200 -91.000 TYR 90 0.840 -1.538 -22.506 -57.378 -99.200 -91.000 TYR 91 0.840 -6.181 -23.669 -54.228 -99.200 -91.000 PHE 105 1.000 -15.642 -17.852 -46.610 -99.200 -91.000 PHE 121 1.000 -8.129 -33.113 -46.936 -99.200 -91.000 TYR 123 0.840 -5.496 -26.778 -48.067 -99.200 -91.000 PHE 125 1.000 -4.848 -20.982 -49.622 -99.200 -91.000 PHE 126 1.000 -6.049 -15.670 -42.110 -99.200 -91.000 PHE 127 1.000 -1.759 -9.095 -44.493 -99.200 -91.000 HIS 131 0.900 -2.065 -7.370 -35.685 -99.200 -91.000 HIS 136 0.900 4.919 -12.175 -25.668 -99.200 -91.000 TYR 139 0.840 5.709 -16.185 -18.235 -99.200 -91.000 TYR 142 0.840 2.979 -21.404 -19.087 -99.200 -91.000 HIS 152 0.900 1.537 -30.872 -36.656 -99.200 -91.000 PHE 153 1.000 -4.333 -26.453 -40.240 -99.200 -91.000 TYR 166 0.840 -2.947 -29.143 -53.780 -99.200 -91.000 PHE 172 1.000 1.868 -25.997 -47.638 -99.200 -91.000 TYR 186 0.840 3.261 -47.591 -46.704 -99.200 -91.000 TRP 189 1.040 5.223 -35.551 -40.798 -99.200 -91.000 TRP6 189 1.020 5.187 -37.852 -41.390 -99.200 -91.000 HIS 191 0.900 9.522 -25.746 -44.192 -99.200 -91.000 HIS 197 0.900 4.198 -31.594 -39.126 -99.200 -91.000 HIS 210 0.900 -4.470 -38.926 -37.974 -99.200 -91.000 HIS 211 0.900 -2.480 -35.090 -36.323 -99.200 -91.000 PHE 214 1.000 -4.216 -25.831 -30.839 -99.200 -91.000 HIS 217 0.900 6.321 -21.865 -23.466 -99.200 -91.000 HIS 220 0.900 7.295 -28.637 -17.701 -99.200 -91.000 HIS 245 0.900 5.107 -38.030 -33.390 -99.200 -91.000 PHE 251 1.000 7.166 -36.093 -24.414 -99.200 -91.000 TYR 252 0.840 3.821 -39.341 -29.980 -99.200 -91.000 TYR 254 0.840 -0.912 -38.242 -32.271 -99.200 -91.000 HIS 261 0.900 -14.030 -32.613 -35.017 -99.200 -91.000 TYR 266 0.840 5.137 -31.309 -33.413 -99.200 -91.000 TYR 270 0.840 13.936 -31.702 -37.957 -99.200 -91.000 TYR 271 0.840 16.226 -23.135 -39.734 -99.200 -91.000 TRP 282 1.040 11.912 -41.480 -40.474 -99.200 -91.000 TRP6 282 1.020 12.810 -42.188 -38.407 -99.200 -91.000 HIS 285 0.900 7.478 -53.416 -43.525 -99.200 -91.000 TRP 292 1.040 14.045 -42.122 -30.617 -99.200 -91.000 TRP6 292 1.020 15.206 -42.627 -32.623 -99.200 -91.000 TRP 293 1.040 10.896 -43.009 -26.384 -99.200 -91.000 TRP6 293 1.020 9.243 -41.794 -25.195 -99.200 -91.000 TRP 301 1.040 -2.332 -41.591 -34.614 -99.200 -91.000 TRP6 301 1.020 -1.122 -41.327 -36.623 -99.200 -91.000 TYR 302 0.840 -1.179 -46.902 -38.352 -99.200 -91.000 PHE 336 1.000 8.765 -56.755 -42.099 -99.200 -91.000 PHE 338 1.000 13.408 -52.213 -39.642 -99.200 -91.000 TYR 348 0.840 8.126 -56.082 -31.691 -99.200 -91.000 HIS 349 0.900 8.391 -61.198 -38.516 -99.200 -91.000 PHE 356 1.000 -0.089 -54.212 -25.204 -99.200 -91.000