============================================================================= 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. TYR 2 0.840 25.942 21.646 1.002 -99.200 -91.000 TYR 4 0.840 25.017 15.387 2.252 -99.200 -91.000 TYR 11 0.840 19.134 14.430 0.925 -99.200 -91.000 HIS 18 0.900 31.711 33.115 10.596 -99.200 -91.000 PHE 28 1.000 21.357 19.101 0.590 -99.200 -91.000 PHE 52 1.000 5.413 44.414 2.106 -99.200 -91.000 PHE 53 1.000 5.290 42.321 -6.222 -99.200 -91.000 TYR 60 0.840 12.267 44.958 -6.767 -99.200 -91.000 PHE 65 1.000 15.816 44.234 8.934 -99.200 -91.000 TYR 84 0.840 11.456 30.319 -7.899 -99.200 -91.000 HIS 86 0.900 7.706 31.701 -2.320 -99.200 -91.000 HIS 88 0.900 7.560 34.008 2.164 -99.200 -91.000 TYR 96 0.840 14.898 38.354 24.292 -99.200 -91.000 HIS 102 0.900 10.878 36.343 -1.156 -99.200 -91.000 PHE 114 1.000 18.591 26.178 7.780 -99.200 -91.000 TYR 119 0.840 7.554 17.743 -1.466 -99.200 -91.000 TYR 127 0.840 7.019 37.511 -14.256 -99.200 -91.000 TYR 136 0.840 4.151 25.536 -5.668 -99.200 -91.000 PHE 138 1.000 0.549 22.482 -8.375 -99.200 -91.000