============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 11 1.000 17.810 52.343 114.197 -99.200 -91.000 HIS 25 0.900 5.660 49.927 118.144 -99.200 -91.000 PHE 38 1.000 6.556 43.719 104.775 -99.200 -91.000 TYR 62 0.840 10.531 33.147 115.771 -99.200 -91.000 PHE 70 1.000 14.305 38.197 108.004 -99.200 -91.000 PHE 90 1.000 14.655 33.399 113.099 -99.200 -91.000 TYR 98 0.840 13.770 47.012 100.455 -99.200 -91.000 TYR 101 0.840 18.175 49.797 98.416 -99.200 -91.000 TYR 102 0.840 22.502 55.134 93.646 -99.200 -91.000 TYR 103 0.840 23.266 50.317 91.658 -99.200 -91.000 HIS 110 0.900 20.466 41.940 84.199 -99.200 -91.000 TYR 114 0.840 16.580 41.268 94.482 -99.200 -91.000 PHE 115 1.000 11.580 41.266 93.375 -99.200 -91.000 HIS 124 0.900 9.692 30.630 106.613 -99.200 -91.000 TYR 127 0.840 3.502 37.626 101.956 -99.200 -91.000 TYR 129 0.840 8.217 47.530 101.213 -99.200 -91.000 TYR 131 0.840 7.720 53.502 98.861 -99.200 -91.000 PHE 150 1.000 7.015 38.553 93.800 -99.200 -91.000 HIS 162 0.900 0.969 49.401 90.282 -99.200 -91.000 TYR 166 0.840 0.635 44.331 92.133 -99.200 -91.000 TYR 176 0.840 -1.560 41.856 102.704 -99.200 -91.000 TYR 201 0.840 1.193 57.309 113.714 -99.200 -91.000 PHE 226 1.000 -12.877 61.197 104.285 -99.200 -91.000 HIS 228 0.900 -4.653 56.577 110.533 -99.200 -91.000 PHE 238 1.000 7.939 70.129 112.022 -99.200 -91.000 TYR 245 0.840 11.652 56.210 115.281 -99.200 -91.000 TYR 250 0.840 -0.038 63.413 121.771 -99.200 -91.000 PHE 251 1.000 -2.129 60.021 118.479 -99.200 -91.000 TYR 254 0.840 4.761 51.582 123.190 -99.200 -91.000 TYR 258 0.840 17.330 59.102 120.768 -99.200 -91.000 PHE 264 1.000 20.292 64.073 110.562 -99.200 -91.000