============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 31 1.000 -7.375 -48.240 -19.733 -99.200 -91.000 HIS 49 0.900 -12.943 -50.920 -7.539 -99.200 -91.000 PHE 76 1.000 -12.508 -47.063 -21.800 -99.200 -91.000 TYR 86 0.840 -22.775 -37.959 -20.958 -99.200 -91.000 PHE 88 1.000 -22.283 -41.194 -15.910 -99.200 -91.000 TRP 108 1.040 -11.985 -30.633 -18.117 -99.200 -91.000 TRP6 108 1.020 -10.008 -31.358 -17.015 -99.200 -91.000 PHE 109 1.000 -8.630 -32.350 -23.962 -99.200 -91.000 PHE 132 1.000 -9.350 -30.267 -2.730 -99.200 -91.000 HIS 147 0.900 -12.777 -21.274 -18.000 -99.200 -91.000 HIS 155 0.900 -23.574 -32.315 2.317 -99.200 -91.000 PHE 157 1.000 -22.978 -35.888 5.994 -99.200 -91.000 TYR 158 0.840 -17.102 -44.524 4.413 -99.200 -91.000 PHE 175 1.000 -5.727 -27.424 -22.392 -99.200 -91.000 HIS 201 0.900 -23.404 -32.415 22.450 -99.200 -91.000 PHE 214 1.000 -5.253 -23.876 12.897 -99.200 -91.000 HIS 217 0.900 -8.992 -14.234 9.840 -99.200 -91.000 HIS 222 0.900 -25.971 -26.046 5.812 -99.200 -91.000 PHE 247 1.000 -5.273 -28.458 4.311 -99.200 -91.000 PHE 248 1.000 -13.030 -34.326 3.826 -99.200 -91.000 TYR 271 0.840 -1.525 -25.454 3.099 -99.200 -91.000 TYR 281 0.840 -5.279 -35.011 1.211 -99.200 -91.000 PHE 298 1.000 2.080 -29.627 -8.206 -99.200 -91.000 HIS 302 0.900 5.849 -37.208 1.725 -99.200 -91.000 HIS 306 0.900 -4.112 -41.508 -4.283 -99.200 -91.000 PHE 317 1.000 -3.246 -43.973 -21.137 -99.200 -91.000 PHE 322 1.000 3.906 -34.162 -14.712 -99.200 -91.000