============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 2 0.840 40.924 -37.007 27.984 -99.200 -91.000 HIS 8 0.900 37.288 -37.642 38.273 -99.200 -91.000 TYR 18 0.840 13.183 -35.701 38.119 -99.200 -91.000 TRP 50 1.040 30.384 -31.899 41.730 -99.200 -91.000 TRP6 50 1.020 30.964 -29.751 42.523 -99.200 -91.000 HIS 53 0.900 33.022 -38.539 43.243 -99.200 -91.000 PHE 57 1.000 36.287 -30.328 48.472 -99.200 -91.000 TRP 73 1.040 25.937 -23.095 51.911 -99.200 -91.000 TRP6 73 1.020 23.598 -22.820 51.878 -99.200 -91.000 TYR 83 0.840 24.456 -26.168 31.990 -99.200 -91.000 PHE 88 1.000 13.177 -24.422 30.182 -99.200 -91.000 TYR 94 0.840 14.587 -22.166 41.654 -99.200 -91.000 TYR 98 0.840 8.207 -25.280 42.454 -99.200 -91.000 TYR 124 0.840 27.231 -18.083 33.572 -99.200 -91.000 PHE 134 1.000 26.479 -26.372 35.710 -99.200 -91.000 HIS 149 0.900 38.704 -17.719 60.944 -99.200 -91.000 HIS 164 0.900 43.259 -19.299 36.164 -99.200 -91.000 TYR 170 0.840 36.091 -26.581 27.148 -99.200 -91.000 HIS 175 0.900 34.451 -22.069 22.680 -99.200 -91.000 HIS 202 0.900 14.187 -13.483 50.531 -99.200 -91.000 PHE 203 1.000 17.032 -20.711 54.729 -99.200 -91.000 TYR 204 0.840 21.158 -18.222 57.345 -99.200 -91.000