============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 20 1.000 53.843 -22.067 89.445 -99.200 -91.000 TRP 33 1.040 64.258 -25.983 85.720 -99.200 -91.000 TRP6 33 1.020 62.845 -26.136 83.841 -99.200 -91.000 PHE 45 1.000 45.857 -22.449 84.749 -99.200 -91.000 HIS 50 0.900 41.931 -26.257 76.491 -99.200 -91.000 TYR 61 0.840 65.618 -8.240 82.959 -99.200 -91.000 HIS 79 0.900 67.231 -28.501 76.473 -99.200 -91.000 TYR 80 0.840 59.440 -26.024 79.068 -99.200 -91.000 TYR 103 0.840 66.719 -8.311 73.564 -99.200 -91.000 TYR 166 0.840 47.246 -19.363 71.226 -99.200 -91.000 HIS 176 0.900 61.190 -4.412 56.215 -99.200 -91.000 TYR 177 0.840 65.621 -9.380 61.372 -99.200 -91.000 TRP 203 1.040 65.137 -16.215 67.146 -99.200 -91.000 TRP6 203 1.020 66.300 -17.435 68.815 -99.200 -91.000 TYR 214 0.840 76.996 -19.240 75.903 -99.200 -91.000 TYR 218 0.840 69.709 -24.802 71.591 -99.200 -91.000 HIS 225 0.900 78.008 -24.660 55.340 -99.200 -91.000 HIS 243 0.900 73.172 -2.578 58.602 -99.200 -91.000 TYR 249 0.840 66.254 1.280 69.621 -99.200 -91.000