============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. HIS 4 0.900 -36.246 -26.688 52.378 -99.200 -91.000 PHE 18 1.000 -31.241 -43.602 45.019 -99.200 -91.000 TYR 36 0.840 -42.553 -27.754 51.618 -99.200 -91.000 PHE 47 1.000 -31.887 -37.885 50.611 -99.200 -91.000 PHE 48 1.000 -27.865 -38.921 44.368 -99.200 -91.000 HIS 49 0.900 -21.543 -34.857 47.902 -99.200 -91.000 TYR 63 0.840 -30.032 -39.268 38.981 -99.200 -91.000 PHE 78 1.000 -21.781 -36.534 44.435 -99.200 -91.000 PHE 84 1.000 -12.586 -31.916 43.998 -99.200 -91.000 PHE 89 1.000 -5.011 -33.375 37.961 -99.200 -91.000 PHE 96 1.000 -14.894 -37.098 40.616 -99.200 -91.000 PHE 100 1.000 -18.296 -40.391 42.028 -99.200 -91.000 PHE 116 1.000 -10.477 -34.110 39.644 -99.200 -91.000 TYR 120 0.840 -7.113 -29.345 39.727 -99.200 -91.000 PHE 121 1.000 -10.171 -23.803 34.014 -99.200 -91.000 TYR 135 0.840 -11.372 -36.010 29.297 -99.200 -91.000 PHE 139 1.000 -7.144 -38.726 28.448 -99.200 -91.000 HIS 149 0.900 1.113 -47.831 41.699 -99.200 -91.000 PHE 177 1.000 -0.741 -30.330 31.011 -99.200 -91.000 PHE 181 1.000 0.641 -30.146 37.455 -99.200 -91.000 TYR 186 0.840 6.681 -41.242 36.859 -99.200 -91.000 PHE 194 1.000 -5.635 -41.790 40.884 -99.200 -91.000 PHE 198 1.000 -13.402 -49.448 38.471 -99.200 -91.000 TYR 205 0.840 -31.399 -58.503 29.292 -99.200 -91.000 PHE 218 1.000 -17.090 -61.255 21.891 -99.200 -91.000 PHE 224 1.000 -23.176 -53.814 13.072 -99.200 -91.000 HIS 226 0.900 -13.858 -54.546 12.019 -99.200 -91.000 PHE 236 1.000 -27.231 -58.932 18.382 -99.200 -91.000 TRP 253 1.040 -9.646 -41.610 28.279 -99.200 -91.000 TRP6 253 1.020 -10.317 -42.244 30.454 -99.200 -91.000 PHE 256 1.000 -3.262 -47.918 29.368 -99.200 -91.000 PHE 257 1.000 -9.489 -47.057 34.213 -99.200 -91.000 TYR 260 0.840 -16.496 -48.177 25.157 -99.200 -91.000 TYR 280 0.840 -16.817 -52.475 28.372 -99.200 -91.000 PHE 285 1.000 -1.350 -51.392 28.902 -99.200 -91.000 TRP 288 1.040 -3.710 -53.921 38.576 -99.200 -91.000 TRP6 288 1.020 -3.834 -51.633 39.159 -99.200 -91.000 PHE 290 1.000 -12.539 -51.937 34.521 -99.200 -91.000 PHE 317 1.000 -24.347 -62.169 22.388 -99.200 -91.000 PHE 324 1.000 -30.739 -62.494 33.516 -99.200 -91.000 TYR 328 0.840 -33.727 -43.166 36.945 -99.200 -91.000 TYR 330 0.840 -37.400 -50.617 30.576 -99.200 -91.000 TYR 339 0.840 -31.811 -64.308 28.552 -99.200 -91.000