============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 12 0.840 -13.854 -8.996 4.630 -99.200 -91.000 PHE 18 1.000 -29.851 1.108 -11.117 -99.200 -91.000 HIS 20 0.900 -34.068 -5.678 -16.487 -99.200 -91.000 TYR 38 0.840 -6.228 -10.711 4.084 -99.200 -91.000 PHE 41 1.000 1.885 -12.777 -4.524 -99.200 -91.000 PHE 65 1.000 -2.239 -8.197 6.455 -99.200 -91.000 PHE 75 1.000 10.904 1.813 2.568 -99.200 -91.000 HIS 86 0.900 2.250 -1.807 14.297 -99.200 -91.000 TRP 87 1.040 1.102 -4.296 7.320 -99.200 -91.000 TRP6 87 1.020 1.816 -2.468 6.019 -99.200 -91.000 PHE 89 1.000 2.451 -7.131 4.120 -99.200 -91.000 TYR 104 0.840 3.599 -16.048 -8.111 -99.200 -91.000 PHE 111 1.000 4.057 -9.166 -7.343 -99.200 -91.000 PHE 112 1.000 6.315 -0.252 -8.268 -99.200 -91.000 TYR 131 0.840 -24.844 -11.244 -10.532 -99.200 -91.000 HIS 137 0.900 -16.072 -3.460 -22.622 -99.200 -91.000 TYR 146 0.840 -8.496 8.793 4.836 -99.200 -91.000 PHE 147 1.000 -6.901 6.463 -0.531 -99.200 -91.000 TYR 180 0.840 -28.900 4.153 3.382 -99.200 -91.000 PHE 197 1.000 -20.127 5.240 14.052 -99.200 -91.000 PHE 204 1.000 -15.245 5.750 13.974 -99.200 -91.000 PHE 216 1.000 -23.746 13.288 -3.160 -99.200 -91.000 HIS 226 0.900 -3.057 2.891 11.998 -99.200 -91.000 PHE 232 1.000 -14.279 -3.122 17.288 -99.200 -91.000 HIS 239 0.900 -12.119 -13.366 27.777 -99.200 -91.000 PHE 244 1.000 -5.380 -24.066 24.548 -99.200 -91.000 HIS 248 0.900 -7.458 -27.249 27.771 -99.200 -91.000 TYR 287 0.840 0.975 -24.871 21.967 -99.200 -91.000 PHE 292 1.000 -10.001 -22.044 23.957 -99.200 -91.000 TYR 293 0.840 -14.700 -28.213 20.053 -99.200 -91.000 PHE 301 1.000 -17.455 -8.279 20.370 -99.200 -91.000 PHE 309 1.000 -17.645 -2.533 20.828 -99.200 -91.000 PHE 352 1.000 -22.810 12.239 19.971 -99.200 -91.000 PHE 353 1.000 -25.717 11.895 15.778 -99.200 -91.000 TYR 370 0.840 -27.969 -0.232 -2.996 -99.200 -91.000