============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 4 1.000 15.772 23.583 27.367 -99.200 -91.000 PHE 13 1.000 17.989 7.200 19.245 -99.200 -91.000 PHE 26 1.000 11.568 4.410 -0.597 -99.200 -91.000 PHE 33 1.000 17.438 9.963 4.752 -99.200 -91.000 TYR 40 0.840 14.443 17.219 -0.178 -99.200 -91.000 PHE 41 1.000 16.532 18.913 3.921 -99.200 -91.000 TYR 73 0.840 16.356 5.260 -4.790 -99.200 -91.000 TYR 86 0.840 31.472 12.715 -10.983 -99.200 -91.000 PHE 87 1.000 29.281 20.642 -9.136 -99.200 -91.000 PHE 108 1.000 7.328 9.610 16.700 -99.200 -91.000 TYR 127 0.840 6.329 27.562 26.671 -99.200 -91.000 PHE 139 1.000 23.438 26.609 13.294 -99.200 -91.000