============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 3 1.000 54.856 -20.197 136.406 -99.200 -91.000 HIS 6 0.900 58.199 -19.593 127.083 -99.200 -91.000 TYR 29 0.840 67.694 -6.431 130.773 -99.200 -91.000 TYR 47 0.840 54.299 -5.664 133.333 -99.200 -91.000 PHE 79 1.000 62.280 -9.073 137.625 -99.200 -91.000 HIS 84 0.900 57.997 -0.928 139.169 -99.200 -91.000 PHE 87 1.000 60.020 4.117 134.790 -99.200 -91.000 PHE 119 1.000 44.733 6.018 150.215 -99.200 -91.000 PHE 135 1.000 38.856 8.646 150.482 -99.200 -91.000 PHE 138 1.000 45.211 9.501 148.414 -99.200 -91.000 TYR 143 0.840 48.431 12.548 146.590 -99.200 -91.000 TYR 163 0.840 49.280 -10.789 144.661 -99.200 -91.000 TYR 178 0.840 69.758 -0.511 139.334 -99.200 -91.000