============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 27 0.840 30.085 22.991 45.405 -99.200 -91.000 TYR 35 0.840 34.142 49.618 37.316 -99.200 -91.000 PHE 49 1.000 25.237 38.523 41.996 -99.200 -91.000 PHE 53 1.000 22.871 34.633 44.419 -99.200 -91.000 PHE 61 1.000 33.149 48.503 41.172 -99.200 -91.000 PHE 78 1.000 33.897 50.799 50.561 -99.200 -91.000 HIS 88 0.900 45.183 48.817 38.824 -99.200 -91.000 PHE 90 1.000 48.444 51.766 37.642 -99.200 -91.000 PHE 111 1.000 40.567 42.123 49.704 -99.200 -91.000 HIS 118 0.900 47.579 42.208 32.390 -99.200 -91.000 PHE 124 1.000 54.994 50.303 30.624 -99.200 -91.000 TYR 144 0.840 48.969 43.990 50.954 -99.200 -91.000 PHE 166 1.000 41.732 37.113 52.782 -99.200 -91.000 PHE 185 1.000 54.103 30.572 47.220 -99.200 -91.000 TYR 196 0.840 32.555 34.090 33.858 -99.200 -91.000