============================================================================= 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 26.400 -47.384 -16.134 -99.200 -91.000 TYR 26 0.840 25.713 -43.541 -7.355 -99.200 -91.000 TYR 29 0.840 22.783 -36.928 -16.167 -99.200 -91.000 TYR 32 0.840 14.532 -41.217 -26.053 -99.200 -91.000 TYR 34 0.840 10.264 -37.302 -22.382 -99.200 -91.000 PHE 55 1.000 20.126 -59.132 1.839 -99.200 -91.000 TYR 57 0.840 13.654 -48.135 -1.908 -99.200 -91.000 TYR 82 0.840 12.501 -51.912 -13.803 -99.200 -91.000 PHE 98 1.000 10.970 -28.763 -15.761 -99.200 -91.000 TYR 111 0.840 22.430 -47.401 -6.227 -99.200 -91.000 TYR 115 0.840 17.431 -54.955 8.597 -99.200 -91.000 TYR 116 0.840 14.642 -57.531 0.597 -99.200 -91.000