============================================================================= 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 6 1.000 26.225 47.318 16.099 -99.200 -91.000 TYR 26 0.840 25.517 43.516 7.262 -99.200 -91.000 TYR 29 0.840 22.855 36.557 16.071 -99.200 -91.000 TYR 32 0.840 14.503 41.156 25.930 -99.200 -91.000 TYR 34 0.840 10.253 37.248 22.324 -99.200 -91.000 PHE 55 1.000 19.831 58.896 -1.708 -99.200 -91.000 TYR 57 0.840 13.451 47.921 1.887 -99.200 -91.000 TYR 82 0.840 12.648 51.850 13.862 -99.200 -91.000 PHE 98 1.000 10.823 28.742 15.877 -99.200 -91.000 TYR 111 0.840 22.232 47.480 6.327 -99.200 -91.000 TYR 115 0.840 14.741 57.014 -8.801 -99.200 -91.000 TYR 116 0.840 14.354 57.344 -0.572 -99.200 -91.000