============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 2 0.840 21.210 -28.260 10.183 -99.200 -91.000 PHE 6 1.000 24.495 -22.641 25.329 -99.200 -91.000 TYR 17 0.840 23.075 -28.454 32.734 -99.200 -91.000 PHE 23 1.000 19.278 -21.976 22.448 -99.200 -91.000 TYR 36 0.840 29.712 -31.360 25.078 -99.200 -91.000 PHE 58 1.000 23.513 -22.694 19.746 -99.200 -91.000 PHE 60 1.000 24.812 -19.219 28.905 -99.200 -91.000 PHE 66 1.000 31.831 -10.141 24.072 -99.200 -91.000 PHE 69 1.000 37.954 -10.501 22.415 -99.200 -91.000 TYR 70 0.840 35.943 -5.153 20.111 -99.200 -91.000 PHE 76 1.000 27.949 -3.399 28.398 -99.200 -91.000 TYR 80 0.840 27.301 1.971 43.287 -99.200 -91.000 TYR 85 0.840 18.464 -7.836 32.432 -99.200 -91.000 PHE 93 1.000 20.035 -6.392 22.919 -99.200 -91.000 PHE 97 1.000 29.727 0.457 24.575 -99.200 -91.000 TYR 118 0.840 19.485 -9.923 37.211 -99.200 -91.000 TYR 152 0.840 31.792 -1.897 46.080 -99.200 -91.000 TYR 155 0.840 38.111 5.551 43.398 -99.200 -91.000 PHE 165 1.000 35.832 -17.703 46.394 -99.200 -91.000 TYR 169 0.840 33.267 -20.460 56.922 -99.200 -91.000 PHE 192 1.000 32.235 -16.375 51.611 -99.200 -91.000 TYR 193 0.840 24.550 -19.981 54.892 -99.200 -91.000 PHE 198 1.000 24.862 -6.724 60.800 -99.200 -91.000 HIS 204 0.900 29.215 -4.286 44.690 -99.200 -91.000 TYR 211 0.840 20.748 -17.654 26.694 -99.200 -91.000 TYR 218 0.840 21.474 -16.850 13.398 -99.200 -91.000 TYR 239 0.840 13.361 -21.222 33.076 -99.200 -91.000 HIS 240 0.900 20.686 -16.956 31.926 -99.200 -91.000 PHE 244 1.000 21.555 -16.135 37.503 -99.200 -91.000 PHE 254 1.000 19.893 -20.769 53.143 -99.200 -91.000 PHE 255 1.000 22.184 -15.438 51.509 -99.200 -91.000 HIS 264 0.900 16.498 -3.344 51.913 -99.200 -91.000 PHE 270 1.000 27.293 2.757 49.425 -99.200 -91.000 TYR 277 0.840 37.864 2.492 38.368 -99.200 -91.000 TYR 278 0.840 31.762 6.267 37.254 -99.200 -91.000 PHE 281 1.000 36.142 3.331 31.160 -99.200 -91.000