============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. PHE 14 1.000 9.255 3.727 -5.872 -99.200 -91.000 TYR 32 0.840 5.660 -21.427 -0.803 -99.200 -91.000 HIS 45 0.900 -3.191 -14.135 -25.105 -99.200 -91.000 TYR 49 0.840 -9.151 -11.590 -16.947 -99.200 -91.000 PHE 50 1.000 -5.751 -11.125 -12.926 -99.200 -91.000 TYR 55 0.840 -8.709 -7.340 -11.835 -99.200 -91.000 HIS 67 0.900 -10.444 -18.861 -2.147 -99.200 -91.000 PHE 75 1.000 -1.946 -14.024 -10.527 -99.200 -91.000 TRP 83 1.040 3.366 -7.996 -16.944 -99.200 -91.000 TRP6 83 1.020 4.148 -8.021 -19.183 -99.200 -91.000 TYR 87 0.840 6.566 -0.313 -8.290 -99.200 -91.000 TYR 89 0.840 14.385 -5.352 -4.370 -99.200 -91.000 PHE 95 1.000 -0.175 -14.354 -4.103 -99.200 -91.000 PHE 106 1.000 0.171 -22.872 0.207 -99.200 -91.000 TYR 109 0.840 6.463 -16.250 8.552 -99.200 -91.000 PHE 120 1.000 -4.793 -25.349 -1.550 -99.200 -91.000 HIS 126 0.900 -12.622 -21.877 -12.754 -99.200 -91.000 TYR 138 0.840 -21.164 -30.162 -8.252 -99.200 -91.000 HIS 145 0.900 -25.507 -44.192 -23.155 -99.200 -91.000 PHE 149 1.000 -13.315 -39.463 -31.620 -99.200 -91.000 HIS 154 0.900 -23.145 -36.172 -24.623 -99.200 -91.000 TRP 156 1.040 -14.690 -28.619 -22.923 -99.200 -91.000 TRP6 156 1.020 -12.869 -28.671 -21.406 -99.200 -91.000 HIS 159 0.900 -14.457 -28.220 -16.579 -99.200 -91.000 PHE 171 1.000 -3.149 -20.888 -16.937 -99.200 -91.000 PHE 175 1.000 -5.474 -35.726 -16.809 -99.200 -91.000 HIS 185 0.900 -12.176 -59.838 -16.467 -99.200 -91.000 PHE 191 1.000 -13.779 -39.619 -22.015 -99.200 -91.000 PHE 194 1.000 -4.912 -31.750 -18.346 -99.200 -91.000 TYR 196 0.840 -1.046 -29.199 -11.294 -99.200 -91.000 PHE 216 1.000 -0.166 -38.383 -16.670 -99.200 -91.000 PHE 228 1.000 -8.979 -46.811 -8.758 -99.200 -91.000 TYR 229 0.840 -18.359 -49.489 -4.715 -99.200 -91.000 HIS 232 0.900 -21.760 -56.018 -13.275 -99.200 -91.000 TRP 246 1.040 -10.774 -36.379 -25.541 -99.200 -91.000 TRP6 246 1.020 -11.039 -38.470 -26.618 -99.200 -91.000 HIS 255 0.900 4.740 -31.697 -9.762 -99.200 -91.000 PHE 259 1.000 10.674 -31.653 -3.811 -99.200 -91.000 TYR 261 0.840 8.938 -39.542 5.390 -99.200 -91.000 TRP 265 1.040 16.854 -39.957 6.878 -99.200 -91.000 TRP6 265 1.020 16.932 -38.316 8.585 -99.200 -91.000 PHE 275 1.000 13.378 -28.489 -19.675 -99.200 -91.000 TYR 285 0.840 4.324 -38.320 -26.466 -99.200 -91.000 TYR 296 0.840 1.327 -27.214 -26.262 -99.200 -91.000 PHE 299 1.000 4.654 -19.586 -20.294 -99.200 -91.000 HIS 304 0.900 13.748 -27.750 -4.490 -99.200 -91.000 TYR 305 0.840 18.832 -24.454 -8.509 -99.200 -91.000 HIS 312 0.900 16.458 -19.992 -3.513 -99.200 -91.000 TYR 313 0.840 10.426 -24.447 -4.756 -99.200 -91.000 TYR 316 0.840 16.953 -20.740 -14.992 -99.200 -91.000 TRP 325 1.040 14.758 -18.230 -22.441 -99.200 -91.000 TRP6 325 1.020 13.181 -19.399 -21.134 -99.200 -91.000 PHE 326 1.000 15.813 -10.526 -19.165 -99.200 -91.000 PHE 328 1.000 12.202 -12.609 -13.778 -99.200 -91.000 HIS 331 0.900 16.814 -9.491 -3.256 -99.200 -91.000 TYR 347 0.840 8.827 -29.349 -8.179 -99.200 -91.000 PHE 350 1.000 4.963 -22.378 -15.086 -99.200 -91.000 TYR 351 0.840 7.115 -27.134 -22.797 -99.200 -91.000