============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 5 1.000 -9.650 9.204 -1.746 -99.200 -91.000 PHE 8 1.000 -9.966 8.446 7.749 -99.200 -91.000 TYR 10 0.840 -2.362 16.565 10.700 -99.200 -91.000 PHE 11 1.000 -5.981 7.825 10.879 -99.200 -91.000 TYR 12 0.840 -0.380 5.513 11.016 -99.200 -91.000 PHE 33 1.000 11.630 5.809 17.627 -99.200 -91.000 PHE 37 1.000 21.647 3.045 14.053 -99.200 -91.000 TYR 48 0.840 -0.281 18.649 5.653 -99.200 -91.000 PHE 53 1.000 11.007 23.865 9.853 -99.200 -91.000 TYR 73 0.840 11.992 13.461 15.490 -99.200 -91.000 TYR 81 0.840 -1.251 5.761 15.206 -99.200 -91.000 TYR 95 0.840 -22.709 10.544 6.141 -99.200 -91.000 TYR 108 0.840 -11.307 5.501 -3.941 -99.200 -91.000 TYR 118 0.840 -19.840 16.436 -10.079 -99.200 -91.000 TYR 122 0.840 -18.446 22.103 -1.688 -99.200 -91.000 PHE 150 1.000 -9.500 12.739 -13.843 -99.200 -91.000 PHE 210 1.000 -2.994 -0.705 -26.321 -99.200 -91.000 TYR 224 0.840 -4.965 3.807 -14.044 -99.200 -91.000 TYR 233 0.840 -10.737 4.294 -13.547 -99.200 -91.000 TYR 264 0.840 15.126 -11.186 15.826 -99.200 -91.000 PHE 266 1.000 9.830 -20.630 15.379 -99.200 -91.000 TYR 273 0.840 -1.552 -18.958 11.540 -99.200 -91.000 TYR 274 0.840 -4.893 -10.156 17.235 -99.200 -91.000 HIS 285 0.900 4.467 -16.946 -1.079 -99.200 -91.000 PHE 302 1.000 1.466 -26.727 2.839 -99.200 -91.000 HIS 304 0.900 -3.301 -29.221 3.779 -99.200 -91.000 TYR 312 0.840 5.349 -21.288 15.739 -99.200 -91.000 PHE 337 1.000 0.963 -17.432 7.689 -99.200 -91.000 PHE 340 1.000 -5.901 -14.804 3.706 -99.200 -91.000